5813 SMILES Strings for Induced myeloid leukemia cell differentiation protein Mcl-1

Compound Name
SMILES String
CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;.37,-1.08,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;9.7,13.55,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|
Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCc4c(C)cc(C)cc4C)c(O)c(O)cc3c2O)c(C)c1 |(8.37,15.86,;7.04,15.09,;5.7,15.86,;4.37,15.09,;3.04,15.86,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,-1.08,;-2.3,-2.62,;-.96,-3.39,;-3.63,-3.39,;-4.97,-2.62,;-6.3,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;5.7,12.78,;5.7,11.24,;7.04,13.55,)|
CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|
CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|
Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
Cc1cc2-c3ccc(C)n3CCn2c1
CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
N(c1ccccc1)c1cccc(Nc2ccccc2)n1
CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O |w:7.7|
CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6|
Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 |w:15.14|
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1
C1CN(CCO1)c1nc(-c2ccccc2)n([s+]1)-c1ccccc1
Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O
COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)nc1
Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
CCOC(=O)CSc1nnc2-c3ccccc3CC(C)(C)n12
Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCc1ccco1
CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1
C1C=CC2C1C(Nc1ccccc21)c1ccncc1 |c:1|
COCCn1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)c(OC)c1
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
Cc1cccc(NC(=O)c2cccs2)n1
COc1cccc2c(C)c([nH]c12)C(O)=O
CC1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccc(cc1)N(C)C
CC1=C(SCCC#N)S\C(S1)=C1/SC(C)=C(SCCC#N)S1 |c:1,t:15|
COc1cc(ccc1O)C(N1CCc2ccccc2C1)c1nnnn1C1CCCC1
Cn1c2nc(N3CCCCCC3)n(CC=C)c2c(=O)n(C)c1=O
OC(CNc1ccccc1O)Cn1ccc2ccccc12
CC(N(Cc1ccco1)C(=O)c1snc(C(=O)NC2CCCC2)c1N)C(=O)NC1CCCC1
CC12CN3CC(C)(CN(C1)C3c1ccccc1Cl)C2O |TLB:18:5:1.2.9:10,11:10:9:5.18.7,THB:4:3:9:5.18.7,4:5:9:3.2.10,0:1:5.4.7:10,6:5:9:3.2.10,6:5:1.2.9:10,11:10:1.2.9:5.4.7|
Nc1ccc(cc1N1CCCCC1)N1CCCCC1
Oc1ccccc1C1Nc2cccc3cccc(N1)c23
c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl
COc1ccc(OC)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 |w:10.10|
Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
CCOC(=O)CSc1nc(N)c(s1)C(=O)Nc1ccc(cc1)N(C)C
O=c1n(Cc2ccco2)cnc2n(Cc3ccccc3)c3nc4ccccc4nc3c12
COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
COc1cc(cc(OC)c1OC(C)=O)C1Nc2cccc3cccc(N1)c23
CCCSc1nc(C)c(CC=C)c(=O)[nH]1
COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
CCCCn1c(nc2c1[nH]c(=O)n(C)c2=O)-c1ccc(Cl)cc1
CC(C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O
CSc1nnc(-c2ccco2)c(n1)-c1ccco1
O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1
Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
COc1ccccc1-n1c(O)c2ON(C(c2c1O)c1ccc(cc1)N(C)C)c1ccccc1 |(5.39,1.24,;6.16,-.1,;5.39,-1.43,;3.85,-1.43,;3.08,-2.77,;3.85,-4.1,;5.39,-4.1,;6.16,-2.77,;7.7,-2.77,;8.61,-4.01,;8.13,-5.48,;10.07,-3.54,;11.53,-4,;12.43,-2.77,;11.53,-1.53,;10.07,-2,;8.61,-1.52,;8.13,-.05,;12.01,-.06,;13.51,.26,;13.99,1.72,;12.96,2.87,;11.46,2.55,;10.98,1.08,;13.44,4.33,;12.41,5.48,;14.95,4.65,;13.97,-2.77,;14.74,-1.43,;16.28,-1.43,;17.05,-2.77,;16.28,-4.1,;14.74,-4.1,)|
CN(C)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)c(C)c2)cc1
Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2Br)o1
Cc1ccc(cc1)S(=O)(=O)C(CCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCc1ccc2OCOc2c1
CCCCc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(CC)c4ccccc34)c12
Cc1nc2n(N=Cc3ccco3)c3nc4ccccc4nc3c2c(=O)n1CCC1=CCCCC1 |t:33|
CCc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)c2oc3ccccc3c2n1
CSc1nc(NCCOCCO)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1
CCCOc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N
O=C(Nc1ccc2n3CCN(Cc3nc2c1)C1CCCCC1)c1ccco1
COc1ccccc1NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccccc1
Oc1ccc(cc1)N1CCN(CC1)c1ncnc2sc3CCCc3c12
Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O
Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)NCc1ccc2OCOc2c1
c1coc(c1)-c1nc2ccccc2nc1-c1ccco1
COC(=O)c1ccc(CSc2nc(cs2)-c2ccccc2)o1
Cc1cc(NC(=O)CSc2nc(cs2)-c2ccc(F)cc2)no1
CCOC(=O)CC1=CSC2=NS(=O)(=O)CCN12 |t:6,9|
O=C(CSc1ncnc2sccc12)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Cc1cc(c(C)o1)-c1nc2c3c4CCCc4sc3nc(=O)n2[nH]1
O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12
NC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1
CC(C)CC1NC(=O)N(CC(=O)c2ccc3OCCOc3c2)C1=O
O=C(Nc1nc(cs1)-c1ccncc1)c1ccco1
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
O=S(=O)(N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
C\C(=C/c1ccco1)C1Nc2cccc3cccc(N1)c23
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1ccncc1)c(O)c1ccccc21
CCCCN(CC)CCNc1c(N2CCN(CC2)C(=O)OCC)c(=O)c1=O
CCOC(=O)N1CCN(CC1)c1c(NCCCN(CC)Cc2ccccc2)c(=O)c1=O
COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
CCCCCc1nc2c(o1)c1ccccc1[nH]c2=O
O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
COc1ccccc1C=c1sc2nc(nn2c1=O)-c1ccco1
COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
COc1ccc(cc1)N1CCC(CNS(=O)(=O)c2cccc(c2)C(F)(F)F)C1
O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
CN(C)c1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2)cc1
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
CCn1cc(C(=O)NCc2ccc3OCOc3c2)c2cc(OC)c(OC)cc2c1=O
O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
OC(=O)CCc1nc(no1)-c1cccs1
COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(OC)cc2OC)C1
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(C)C1=O |t:13|
CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1
Cc1ccc(C=c2sc3nc(nn3c2=O)-c2cccnc2)cc1
CCOc1ccc(NC(=O)N(CCN2CCOCC2)Cc2ccc3N(CC)CCCc3c2)cc1
COCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O
Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)o1
Cc1csc2nc(CNS(=O)(=O)c3cc(C)c(C)cc3C)cn12
CN(C)c1ccc(NC(=O)Cn2ncn3c4ccccc4cc3c2=O)cc1
Cc1nc(C)c(o1)C(=O)Nc1nc2c(C)cccc2s1
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N(C)C |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
COc1cccc(C(=O)Nc2ccc3nc(cc(C)c3c2)N2CCN(CC2)c2ncccn2)c1OC
N#Cc1cc(nn1-c1ccccc1)-c1ccccc1
COc1ccc(Cl)c(c1)N1CCN(CCCNC(=O)Nc2ccc(C)cc2)CC1
Cc1ccc(o1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1
Cc1cc(NC(=O)Cc2cccs2)no1
COc1ccc(cc1)-n1c(N)c(sc1=S)-c1nc2ccccc2n1C
CCN(CC)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)cc1
Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc2N(C)CCCc2c1 |c:5,t:8|
COc1ccc(cc1OC)C(=O)N1C(C)Cc2ccccc12
COc1ccc(cc1)-n1nc2cc(C)c(N)c(Br)c2n1
O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Cc1occc1-c1nnc2sc(nn12)-c1cc(oc1C)-c1ccc(Cl)cc1
Clc1ccccc1NC(=O)c1cnccn1
CCN(CC)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1
CN(C)c1ccc(NC(=O)CCCc2ccccc2)cc1
CC(C)n1c(Nn2cnnc2)nc2ccccc12
COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Nc1ccc2nc([nH]c2c1)-c1ccc(Cl)cc1
CCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(C)c(C)c2)C1
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
CC(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(O)=O
CSC1=N\C(=C/c2ccccc2F)C(=O)S1 |t:2|
Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N
CCCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
O=c1n(-c2cccnc2)c(nc2ccccc12)-c1ccco1
OCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
C=CCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c1ccccc21
Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1C
Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
O=C1CCCC2=C1C(Nc1ccc3ccccc3c21)c1ccco1 |c:5|
O=NC1CCCSc2ccccc12
COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
OC(=O)C1Nc2c(cccc2C(=O)N2CCOCC2)C2C=CCC12 |c:22|
CCS(=O)(=O)N1CCN(CC1)C(C)CCc1ccccc1
CNC(=O)NC1CCCc2ccccc12
Brc1ccc(o1)C(=O)Nc1ccc(cc1)N1CCCC1
CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N(C)C
CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N(C)C
Nc1nonc1C(=O)NCC1CCCO1
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)N(C)C
CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(2.16,17.15,;3.49,16.38,;4.83,17.15,;3.49,14.84,;2.16,14.07,;.83,14.84,;2.16,12.53,;.83,11.76,;3.49,11.76,;3.49,10.22,;2.16,9.45,;4.83,12.53,;6.2,11.71,;6.19,10.17,;7.6,12.5,;7.6,14.1,;8.93,14.88,;6.2,14.9,;4.83,14.07,;8.93,11.72,;8.93,10.12,;7.6,9.35,;10.33,9.33,;11.7,10.15,;13.04,9.38,;13.04,7.84,;14.37,7.07,;11.7,7.07,;14.37,10.15,;15.7,9.38,;14.37,11.69,;15.7,12.46,;13.04,12.46,;13.04,14,;14.37,14.77,;11.7,11.69,;10.33,12.52,;10.34,14.06,)|
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
Oc1cccc2cc3cccc(O)c3c(O)c12
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2)c1=O
CCNc1ccc(Br)cc(C(=O)\C=C\c2c(Cl)cccc2Cl)c1=O
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1=O
CNc1ccc(Br)cc(C(=O)\C=C\c2cc(OC)ccc2OC)c1=O
ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O |c:1,t:13|
CCOc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O |w:6.5|
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3sc(NC(=O)c4ccccc4)nc3C)cc2)no1
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(C2C(=O)CC(C)(C)CC2=O)C(=O)c2ccccc12 |w:10.10,t:13|
O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(cc1)-n1c(O)c2CCCn2c1=O
O=C(Nc1ccc2nc([nH]c2c1)-c1ccc2nc[nH]c2c1)c1cccs1
CCC(C)(C)n1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)c(OC)c1
CC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1cccs1
CCOC(=O)C1CCCN(C1)c1ccc(NC(=O)c2snc3c2nc(C)[nH]c3=O)cc1
COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|
Fc1ccccc1C(=O)Nc1ccc(cc1)N1CCCC1
Cc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
CCNc1nc(NCC)nc(n1)C(=O)NN
O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|
Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2oc(cc(=O)c12)-c1ccccc1Cl
O=[#6]-1\[#6](=[#6]/c2cccn2-c2ccccc2)-[#6](=O)-c2ccccc-12
Clc1ccc(cc1Cl)N1NC(=O)\C(=C/c2cccc(OC(=O)c3cccs3)c2)C1=O
CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Fc1ccc(cc1Cl)N1NC(=O)\C(=C\c2cccc(OC(=O)c3cccs3)c2)C1=O
COc1ccc(cc1)C(=O)Nc1nc-2c(Cc3cc(OC)ccc-23)s1
[O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1 |w:10.11|
CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(CC)cc3)ccc12
CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1
COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)cc1Cl |t:1|
CCOc1ccccc1NC(=O)\C=C\C(N)=O
CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|
CCCCn1c(SCC(=O)NCCOC)nc2ccc(cc2c1=O)N1CCOCC1
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CCCCCC1
COc1ccc(cc1)N1CCC(CNC(=O)Nc2cccc(OC)c2)C1
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccc(-[#7]\[#6]=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)n2)-[#6](=O)-[#6]1
Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2)cc1
O=C(N1CCN(CC1)c1ncccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CN(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3C(=NCC2=O)c2ccccc2)cc1 |c:20|
COc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
CN(C1CCN(C)CC1)c1nc(nc2ccccc12)-c1ccc(cc1)[N+]([O-])=O
CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10|
CCc1n[nH]c2cccc3c(OC)ccc1c23
CC(=O)c1sc2nc(ccc2c1N)-c1cccs1
Clc1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1Cl
CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1 |c:17,21,(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;3.08,-1.63,;3.08,-.09,;4.41,.68,;4.41,2.22,;5.75,2.99,;5.91,4.52,;7.41,4.84,;8.04,6.25,;8.18,3.51,;7.15,2.36,;7.47,.86,;8.94,.38,;9.26,-1.12,;10.72,-1.6,;11.87,-.57,;13.33,-1.05,;11.55,.94,;10.08,1.41,;5.75,-.09,;5.75,-1.63,)|
COc1ccc(cc1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
Cc1cc(NC(=O)COc2cc(C)cc3oc(=O)c4CCCc4c23)n(n1)-c1ccc(C)cc1
COc1ccc(OCC(=O)Nc2nnc(s2)-c2ccco2)cc1
Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)cc1
Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
CCN(CCO)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3CCCc3c21
CSc1nc(N(C)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1
CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:20|
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)c1C
FC(F)(F)C1=NCCN=C(C1)c1ccccc1 |c:8,t:4|
CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Cl)C(=O)c2ccccc12 |t:20|
Clc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:22|
CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
Oc1ccc(Br)cc1-c1cc([nH]n1)-c1ccc(Cl)cc1
CC(C)CNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
Cc1ccc(cc1)C1C(C=C2SC(S)=NC2=O)=C(Oc2ccccc12)c1cccs1 |w:9.9,c:14,18,(11.05,-6.19,;11.05,-4.65,;9.72,-3.88,;9.72,-2.34,;11.05,-1.57,;12.38,-2.34,;12.38,-3.88,;11.05,-.03,;9.72,.74,;8.38,-.03,;7.05,.74,;5.64,.11,;4.61,1.26,;3.08,1.1,;5.38,2.59,;6.89,2.27,;8.03,3.3,;9.72,2.28,;11.05,3.05,;12.38,2.28,;13.76,3.1,;15.16,2.31,;15.16,.71,;13.76,-.08,;12.38,.74,;9.72,3.82,;10.96,4.73,;10.49,6.19,;8.95,6.19,;8.47,4.73,)|
CC(C)COC(=O)C1C(NC(=O)N=C1C)c1ccsc1 |c:12|
CN(C)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1nc2CCCCc2s1
Cc1ccc(o1)-c1cc(C(=O)Nc2ccccn2)c2ccccc2n1
[O-][N+](=O)c1ccc(cc1)-c1ccc([CH+]\N=[NH+]\[c-]2c3ccccc3[n-]c2=O)o1
COc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1
O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|
CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1cccnc1)c(O)c1ccccc21
CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)Nc1cccc(Cl)c1
CCOC(=O)c1cc(nc2n(nc(C)c12)-c1cccc(Cl)c1)-c1ccco1
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Oc1ccc(cc1O)-c1cn2CCSc2n1
NC(=S)n1[nH+]c(-c2ccc(cc2)[N+]([O-])=O)[c-]([NH+]=Nc2ccc([O-])cc2)c1=O |w:16.16|
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cc(ccc3C)C(O)=O)C2=O)cc1C
Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O |w:10.11,24.26|
CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1
CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1
Oc1ccc(C=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1O |w:6.6|
COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
CCn1nc(c(C(C#N)c2nc3cc(ccc3s2)C(F)(F)F)c(Cl)c1=O)[N+]([O-])=O
CC1CCCCC11NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Cc1ccc(cc1C)N=Nc1ccc(O)c(C=NNC(=O)c2ccc(N)cc2)c1 |w:8.8,17.18|
CCN(C(C)C)c1ccc(NC(=O)COC(=O)c2cccs2)cc1
O=C1N=c2ccccc2=C1NNc1nc2ccccc2s1 |c:9,t:2|
Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
CCC(=O)Oc1ccc2c(oc(CC)c(-c3ccc4ccccc4n3)c2=O)c1C
CCOC(=O)c1cc(c(N=CN(C)C)o1)C(O)(C(=O)OC)C(F)(F)F |w:9.8|
Cc1cc(SCC(=O)NN=Cc2ccc(O)c(O)c2O)c(C)cc1Br |w:9.8|
COc1cc(cc(OC)c1OC)-c1nnc(SCc2cc(=O)oc3cc(O)c(O)cc23)o1
COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Nc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl
CN(C)c1ccc(cc1)\N=c1/sc2ccccc2n1C
OC(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1
Cc1nn(-c2cccc(Cl)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc3OCOc3c2)c1=O
COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1
Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(=O)NN=Cc1ccc(Cl)cc1 |w:20.22|
Cc1ccc(cc1)-c1cc(nc2ncnc(N)c12)-c1ccc(F)cc1
Cc1nc2cccc3cccc([nH]1)c23
COc1ccc(cc1OC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccccc1
CC1=C(C#N)C(=O)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C |c:1|
[O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\C=C\c1ccc2OCOc2c1
[O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(c1)C(=O)Nc1nccs1
Cc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1
COc1ccc(NC(C)C(=O)Nc2ccc(cc2)C#N)cc1Cl
CCn1c(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)nc2ccccc12
CCN(C(C)C)c1ccc(NC(=O)COC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)cc1
CN(C)c1cccc(c1)C(=O)OCc1cc(=O)oc2cc(O)ccc12
CN(C)c1ccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1
CN1CCN(CC1)c1ccc(cc1[CH+][N-]NC(=O)c1ccc(F)cc1)[N+]([O-])=O
Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2ccc(Cl)cc2)c(C(N)=O)c1C
CCCOc1ncnc2c3ccccc3[nH]c12
OC(=O)CN1C(=O)\C(=C2/SC(=Nc3nccs3)N(CC=C)C2=O)c2ccccc12 |w:11.11|
Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccccc1F
NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
COc1ccc2c(C)nn(C)c3cccc1c23
Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccc(Br)cc1
CC(Cc1ccco1)=CN=Nc1nnc2c(n1)[nH]c1c(C)cccc21 |w:10.11,8.9|
CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Cc1nnc(NC(=O)c2sc3nc(cc(c3c2N)C(F)(F)F)-c2cccs2)s1
[H][C@]12Cc3cc(O)c(OC)cc3-c3c4OCOc4cc(CCN1)c23
NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
CC(C=Cc1ccco1)=NNC(=O)Cc1cccs1 |w:9.10,2.1|
O=C1NC(SC1=Cc1ccccc1)=NNc1ccccc1 |w:13.15,6.7|
COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1Cl
COc1cc(CN=Nc2ccc(cc2)[N+]([O-])=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:7.7|
[O-][N+](=O)c1ccc(cc1)-c1cc(n[nH]1)-c1ccc(Cl)cc1
[O-][N+](=O)c1ccccc1[C+]1CC(O[N-]1)C(=O)NCCCCc1ccccc1
Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccs1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
Cc1ccc2Nc3ncccc3C(=O)Nc2c1
COc1cc(C=NNC(=O)C2c3ccccc3Oc3ccccc23)ccc1O |w:6.6|
Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|
CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1
[O-][N+](=O)c1cccc(C=Cc2nc3ccc(cc3[nH]2)[N+]([O-])=O)c1 |w:9.9|
Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
O=C(CCN1C(=O)S\C(=C/c2ccccc2)C1=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
COc1ccccc1-c1nc2cccc3cccc([nH]1)c23
Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1
CCOc1ccccc1Nc1nc(cs1)-c1sc(NC(=O)c2ccc(cc2)[N+]([O-])=O)nc1C
COc1ccccc1Nc1nc(cs1)-c1sc(NC(=O)c2ccc(cc2)[N+]([O-])=O)nc1C
Clc1cccc(CN=Nc2nc(Cl)nc3ccccc23)c1 |w:8.8|
COc1cc2cc3c(N)c(sc3nc2cc1OC)C(=O)Nc1sc(C)c(C)c1C#N
Cc1ccc2nc3sc(-c4nnc(o4)-c4ccccc4[N+]([O-])=O)c(N)c3cc2c1
CCSc1ncc(CN=Nc2ccc(cc2)[N+]([O-])=O)n1C |w:9.9|
CCc1nnc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)s1
O=C1Oc2ccccc2C(=O)\C1=C\c1c[nH]c2ccccc12
Cc1sc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(C#N)c1C
CCN(CC)c1ccc(NC(=O)\C=C/c2ccccc2Cl)cc1
[O-][N+](=O)c1cc(Br)c(-c2ccc(\C=C3\NC(=S)NC3=O)o2)c(Br)c1
CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1 |c:8|
CCOC(=O)C1=C(Cc2ccc(CC)cc2)C(=O)c2ccccc2C1=O |c:5|
CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
COc1ccc(cc1)C(c1c(O)cc(C)oc1=O)c1c(O)cc(C)oc1=O
CC(C=Cc1ccco1)=NNC(=O)c1cc(C)n[nH]1 |w:9.10,2.1|
Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)[N+]([O-])=O)cc1
CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
COC(=O)C1=C(C(c2sc(=O)[nH]c2S1)c1cc(Cl)ccc1O)C(=O)OC |t:4|
CCn1c(C)cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C
CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
Cc1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1
Cc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)cc1
Cc1cc(C=C2SC(S)=NC2=O)c(C)n1-c1sc(C)c(C)c1C#N |w:4.3,c:8,(4.54,-1.21,;6.01,-.73,;6.49,.73,;8.03,.73,;8.93,1.98,;8.3,3.38,;6.8,3.7,;6.64,5.23,;5.3,6,;8.04,5.86,;9.07,4.72,;10.61,4.88,;8.5,-.73,;9.97,-1.21,;7.26,-1.64,;7.26,-3.18,;8.5,-4.08,;8.03,-5.55,;8.93,-6.8,;6.49,-5.55,;5.58,-6.8,;6.01,-4.08,;4.54,-3.61,;3.08,-3.13,)|
NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CCC3)c(cc1OC)[N+]([O-])=O |c:12|
[O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccc(Cl)nn2)c1 |w:10.9|
O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)\C=C\c1ccco1
[O-][N+](=O)c1cccc(\C=C\C=N\NC(=O)CNc2ccc3ccccc3c2)c1
CCOc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1
[O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]n2c(n[nH]c2=S)-c2ccccc2)o1
Cc1ccc(cc1C)-n1[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O
Cc1[n-]c2ccccc2c1C[NH+]=Nc1ccc(cc1)[N+]([O-])=O |w:11.12|
CN(C)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
COc1ccc(C=c2c(=CSc3ccc(Cl)cc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 |w:9.9|
Cc1cc(ccc1C(c1ccc(cc1C)N(CCO)CCO)c1ccccc1Cl)N(CCO)CCO
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cnc(nc2)-c2ccccc2)C1=O |w:14.15|
CCOc1ccc(cc1)C1C2=C(Nc3[nH]c(N)nc(=O)c13)c1ccccc1C2=O |c:11|
Oc1ccccc1Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
CN(C)c1ccc(Nc2c3-c4ccccc4C(=O)c4cccc(n(C)c2=O)c34)cc1
CCOC(=O)C1C(=O)C(S\C1=N/c1ccc(OC)cc1)=Cc1cc(OC)c(O)c(OC)c1 |w:20.22|
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NN(C1=O)c1ccc(F)c(Cl)c1 |w:13.14|
Cc1ccc(cc1C)N1C(=O)NC(=O)C(=Cc2cnc(nc2)-c2ccccc2)C1=O |w:15.16|
Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
Clc1cccc(c1)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
O=C1NC(=O)C(=Cc2ccc3CCc4cccc2c34)C(=O)N1c1ccccc1 |w:6.6|
Nc1cccc(c1)-c1nc2cccc3cccc([nH]1)c23
CN1CCN(CC1)c1ccc(cc1[CH+][N-]NC(=O)c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O
CN(C)c1ccc(Sc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
COc1cc(ccc1-c1ccc(o1)C(=O)Nc1ccc(NC(C)=O)cc1)[N+]([O-])=O
Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
[O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2[nH]c(cc2n1)-c1ccc(Cl)cc1
COc1ccc(cc1OC)-c1nn(CCC(O)=O)cc1C=C1SC(N)=NC1=O |w:20.21,c:26|
NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1 |w:7.8,t:1|
CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
COc1cc(\C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)cc(OC)c1O
Oc1cc(=O)c(c[c-]1C[NH+]=Nc1nc2ccccc2[nH]1)[N+]([O-])=O |w:10.11|
COc1cccc2c(S)c(CCC(C)=O)c(C)nc12
CC1(C)CC(C)(c2ccccc2)c2cccc3\C(C(=O)N1c23)=C1\SC(=S)NC1=O
C=CCN1C(=S)NC(=O)\C(=C/c2cccs2)C1=O
COc1ccc(-c2ccc([CH+][N-]NC(=O)c3cccnc3)o2)c(c1)[N+]([O-])=O
COc1cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(Br)cc1O
Cc1ccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3cc4ccccc4cc3O)c3ccccc23)cc1
COCCCNC(=O)C(=C\c1ccc(OCC(O)=O)c(OC)c1)\C#N
NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
Cc1ccc(cc1[N+]([O-])=O)-c1ccc(\C=C2\NC(=O)NC2=O)o1
COc1cc(CN=Nc2nnc3c(n2)[nH]c2ccccc32)ccc1O |w:7.7|
Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:15.17|
Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
COc1ccc(\C=C2\C(\NN(C\2=O)c2c(Cl)cc(Cl)cc2Cl)=N\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
COc1ccc(\C=C2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1
Clc1ccccc1\C=C(/NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4cc(F)ccc4c3Cl)cc2)nc(OC)n1
Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
CCOc1ccc(-c2ccc([CH+]c3c([NH-])[n+]4ccsc4[n-]c3=O)o2)c(c1)[N+]([O-])=O
COc1ccc(C=NNC(=O)c2ccc(O)cc2O)cc1CSc1ccccn1 |w:7.7|
[O-][N+](=O)c1ccccc1-c1ccc(\C=C2/Sc3[n-]c(=O)c(n[n+]3C2=O)-c2ccccc2)o1
Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O |w:10.10|
Cc1cc(C(F)F)n2nc(nc2n1)C(=O)Nc1sc2CCCc2c1C(N)=O
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1ccccn1
Cn1c(NN=C2CCCc3ccccc23)nc2n(C)c(=O)n(Cc3ccc(F)cc3)c(=O)c12 |w:4.3|
Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Cc1cc([nH]n1)C(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1 |w:19.21,9.9|
COc1ccc(\C=C2/SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1
Fc1ccccc1N1C(=S)NC(=O)C(=Cc2cccs2)C1=O |w:14.15|
SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|
COc1c[c-](\C=[NH+]\NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc(Br)c1=O
Nc1oc2cc(=O)ccc2cc1C(=O)Nc1nc2ccccc2s1
Cc1c(sc(N)c1C#N)C(=O)N\N=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
COc1ccc(-c2ccc([CH+]c3c([NH-])[n+]4ccsc4[n-]c3=O)o2)c(c1)[N+]([O-])=O
CC[C@H](C)NC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
Cc1ccc(cc1Cl)-n1cccc1\C=C1\C(=N)N2C(SN=C2S(C)(=O)=O)=NC1=O |c:22,28|
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(C1=O)c1ccc(Br)cc1 |w:13.14|
Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
CCN1C(=O)C(=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc12 |w:6.6|
Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1 |w:13.14,15.16,t:7|
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
Fc1cccc(c1)N1NC(=O)\C(C1=O)=C1\C(=O)Nc2ccccc12
CC1=CC(\C=N\n2c(COc3ccccc3C)nc3ccccc3c2=O)C(=O)C(=C1)[N+]([O-])=O |c:31,t:1|
Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(Cc2ccccc2)c1=O
Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(N)n(CC2CC2)c1=O
Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(N)n(Cc2ccccc2)c1=O
Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
Cc1ccc(cc1C)C(=O)COC(=O)CNC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
COc1ccc(cc1)C(=O)c1sc2nc(ccc2c1N)-c1ccc(OC)cc1
[O-][N+](=O)c1cc(\C=C\C(=O)Nc2ccc(cc2)N2CCCC2)ccc1Cl
COc1cc2c(nc3n(nc(C)c3c2cc1OC)-c1ccccc1)-c1ccc(O)cc1
CN1c2ccccc2N(C)C1(C)c1ccccc1
Cc1cc(N=NCc2ccc(O)c(C)c2O)nc(n1)-c1ccccc1O |w:4.3|
Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Cl)cc1
Oc1ccc(cc1C=Nc1ccc(cc1)N1CCOCC1)N=Nc1cccc(Cl)c1 |w:8.9,21.23|
Brc1ccc(s1)C1Nc2cccc3cccc(N1)c23
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:10.10,t:13|
COc1ccc(\C=C2\N(C(=O)c3ccc(C)cc3)C(=S)NC2=O)cc1
OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O
COc1c[c-](C=[NH+]NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+]([O-])=O)c1=O |w:6.6|
COc1nc(N=NCc2ccc(o2)-c2cccc(c2)[N+]([O-])=O)nc(n1)N1CCOCC1 |w:5.4|
Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Br)cc1
Cc1[nH]n(-c2ncc(s2)-c2ccc(Cl)cc2)c(=O)c1C(C(C#N)C#N)c1ccc(Cl)cc1
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C#N |w:11.13|
CCN1c2ccccc2N(C)C1(C)c1ccccc1
Clc1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 |w:7.7|
COc1cc(C=C2SC(S)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:5.4,c:9|
COc1ccc(NC(=O)CSc2ncnc3c4ccccc4sc23)c(OC)c1
COc1cccc(c1)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
O=C(Cc1cccs1)NN=C\C=C/c1ccco1 |w:9.9|
SC1=NC(=O)C(S1)=Cc1ccc(SCc2ccco2)o1 |w:7.8,t:1|
CC(C=NNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1)=Cc1ccco1 |w:3.3,22.25|
Cc1ccc(NC(=O)c2cc(ccc2Cl)N2C(=O)C=CC2=O)cc1C |c:19|
CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15|
COC(=O)c1ccc2O\C(=C/c3ccc(O)cc3)C(=O)c2c1
CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccc(Cl)cc3)C(=N)N12 |t:4,7|
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:11.11,t:14|
Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15|
COc1cc(C=C2SC(S)=NC2=O)ccc1OS(=O)(=O)c1ccccc1 |w:5.4,c:9|
COc1ccc(cc1)N1CCC(CNC(=S)Nc2cccc(OC)c2)C1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
CCCCN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
CC1=CC(\C=N\n2c(COc3ccccc3)nc3ccccc3c2=O)C(=O)C(=C1)[N+]([O-])=O |c:30,t:1|
Cc1cccc2cc(C=NNC(=O)c3ccccc3O)c(Cl)nc12 |w:9.9|
Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
CN(C)S(=O)(=O)c1cccc(c1)-c1nn(cc1C=C1SC(S)=NC1=O)-c1ccccc1 |w:17.18,c:23|
CCOC(=O)c1c(NC(=O)C(=C\c2ccc(O)c(OC)c2)\C#N)scc1-c1ccc(C)cc1
Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1
CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCc12
CCC(C)N1C(=S)NC(=O)\C(=C/c2ccc3N(CCCCl)CCc3c2)C1=O
ClCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CC4)C3=O)ccc12
Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:12.13,14.15,t:6|
Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C |w:12.13,14.15,t:6|
O=C1N=C(Nc2ccccc2)SC1=CC=Cc1ccco1 |w:13.15,15.17,t:2|
Oc1ccc(C=NNC(=O)C(=O)CC2=NC3(CCCC3)Cc3ccccc23)cc1O |w:6.6,t:13|
Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2nc3ccccc3s2)o1
O=C(CSc1nnc(SCc2ccccc2)s1)NN=C\C=C\c1ccco1 |w:18.19|
Cc1cc2ncn(\N=C\c3ccc(s3)[N+]([O-])=O)c2cc1C
CC(=O)Nc1sc(N=NCc2ccco2)nc1-c1cccs1 |w:7.6|
COc1ccc(NC(=O)Cc2c(SC)c3ccccc3n2Cc2ccccc2)cc1
CCN1C(=O)C(C)SC1=NS(=O)(=O)c1ccc(F)cc1 |w:9.10|
Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
CC1CCc2c(C1)sc(Nc1nc3c(F)cccc3s1)c2C(N)=O
COc1ccc2nc(Nc3sc4CCCCc4c3C(N)=O)sc2c1
Cc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 |w:12.13,t:6|
NC(=O)c1c(Nc2nc3c(F)cccc3s2)sc2CCCCc12
CCc1cc(C(N2CCOCC2)c2ccc(OC)c(OC)c2)c(NC(=O)c2ccccc2)s1
COC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
[O-][N+](=O)c1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCCC1
CCC1CSC(Nc2ccc(cc2)C(=O)C=Cc2cccc(C)c2)=N1 |w:15.15,c:25|
CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Cc1ccc(NC(=S)NNc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1C
Cc1cccc(C=CC(=O)c2ccc(cc2)N=C2NCCCS2)c1 |w:16.16,6.5|
CN(C)c1ccc(CC(=O)c2nc3ccccc3s2)cc1
Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:7|
CC(=O)NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O |c:4|
Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|
CC(C)(C)C1CCc2c(C1)scc2C(=O)NNC(=O)CCC(O)=O
Cc1cc(N=Cc2c(O)ccc3cc(Br)ccc23)no1 |w:4.3|
COc1cccc2c1[nH]c1c(N)cccc1c2=O
O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
COc1ccccc1\C=C1\SC(=O)N(CCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)C1=O
OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccccc1Cl |w:7.8,t:1|
COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)[N+]([O-])=O)CC1
[O-][N+](=O)c1cc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)ccc1N1CCCC1
CCOc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:17.19|
COc1ccc2nc(sc2c1)N1C(=S)NC(C1=O)=C1C(=O)Nc2ccccc12 |w:18.30|
CCOC(=O)c1c(C)c(sc1NC(=O)c1cc(on1)-c1ccc(O)cc1)C(C)=O
Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
CN1\C(S\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C1=O)=N/c1ccc(Cl)c(c1)C(O)=O
O=C(NN=CC=Cc1ccco1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2,6.6|
Cc1ccc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)o1
[O-][N+](=O)c1ccc(cc1)-c1cn(-c2ccc(Cl)cc2)c(=S)[nH]1
COc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:16.18|
O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|
CCN1C(=S)NC(=O)\C(=C/c2ccc3N(CCCCl)CCc3c2)C1=O
Cc1cc(C(=O)N\[NH+]=C\[c-]2ccc(=O)c(c2)[N+]([O-])=O)c(C)n1-c1ccc(F)cc1
[O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Cc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
COc1ccc(\C=C2\C(=O)NC(=S)N(C3CC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O
[O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Fc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1
Fc1cc(F)c2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
Fc1ccc2nc(Nc3nc(cs3)-c3cc4ccccc4oc3=O)sc2c1
Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12
COc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12
Fc1ccc2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
COc1ccc2nc(Nc3nc(cs3)-c3cc4ccccc4oc3=O)sc2c1
COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1
[O-][N+](=O)c1sccc1SCC(=O)N1CCN(CC1)c1ccc(Cl)cc1
O=C(CN1C(=O)\C(=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2ccccc12)Nc1ccccc1
[O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
ClC(Cl)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
COc1ccc(CCNC(=O)COC(=O)Cc2cccc3ccccc23)cc1
Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1cccc(Cl)c1Cl
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1
OC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2cccs2)o1 |w:14.15|
CN(C)c1ccc(cc1)C(CNC(=O)c1ccc(F)cc1)c1c[nH]c2ccccc12
O=C(COC(=O)Cn1cnc2ccccc12)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
O=c1cc(N=Cc2coc3c4ccccc4ccc3c2=O)[nH]c(=S)[nH]1 |w:4.3|
CN(C)c1ccc(cc1)C(CNC(=O)c1ccc(cc1)C#N)c1c[nH]c2ccccc12
Cc1cc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1cccc(O)c1
CCN(C(C)C)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
CN(C)c1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 |w:8.8|
CC(C)c1ccc(Nc2nnc(SCC(=O)c3nnc(o3)-c3ccccc3)s2)cc1
Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC=C
CN(C)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1
[O-][n+]1ccccc1SCC(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl
COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(CSc2ccccc2)cc1
O=C(Nc1ccc(cc1)N1CCCC1)c1ccc2ccccc2c1
CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OC)cc2OC)c1=O
CSc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1
COc1cnn(-c2ccc(Br)cc2)c(=O)c1SCc1ccccc1
CC(N1CCN(CC1)c1ccc(O)cc1)C(=O)Nc1cc(ccc1Cl)[N+]([O-])=O
Cc1ccc(NS(=O)(=O)c2cc(ccc2NNC(=S)Nc2cccc(Cl)c2)[N+]([O-])=O)c(C)c1
Clc1cccc(c1)N=NCc1ccc(s1)N1CCOCC1 |w:8.9|
CCN(N=Cc1ccc(cc1)N(C)C)c1nc2ccccc2[nH]1 |w:3.2|
Cc1cccc(c1)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1
Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1
CN(C)c1ccc(Nc2nc(N)c(c(n2)N2CCOCC2)[N+]([O-])=O)cc1
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1
CC1CCc2c(C1)sc(NC(=O)COC(=O)c1cc(C)nc3ccccc13)c2C#N
CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)NN=Cc1ccc(O)cc1O |w:21.22|
CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:12.13,1.0|
COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)c1Cl
Cc1nc2ccc(NC(=O)c3cc(cc(c3Cl)[N+]([O-])=O)[N+]([O-])=O)cc2s1
[#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|
O=C1Nc2ccccc2\C1=C(\C#N)c1nc2ccccc2s1
CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
[O-][N+](=O)c1ccccc1NC(=O)COC(=O)c1ccc2C(=O)N(Cc3ccncc3)C(=O)c2c1
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
CCN(CC)c1nc2nc(C)[nH]c3nc4N(C(=O)Cc4c(c1C#N)c23)c1ccc(Cl)cc1
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
C(NC1=NN=C(CS1)c1cc2ccccc2o1)c1ccccc1 |c:4,t:2|
O=C(C=Cc1ccccc1)c1ccc(cc1)N=C1NCCCS1 |w:16.17,2.1|
CC(OC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)N(C)C
Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)Nc1ccc(cc1N1CCOCC1)N1CCOCC1
CN(C)c1ccc(cc1)C(CNC(=O)c1ccccc1Br)c1c[nH]c2ccccc12
COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCOCC1
O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Cc1ccccc1CN=Nc1ccnc2cc(Cl)ccc12 |w:9.10|
CCN(CC)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
CCN(C(C)C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1
CC(C)Nc1nnc(SCC(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)s1
CCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
CCc1cc(C(=O)N\[NH+]=C2/C(=O)[N-]c3ccc(cc23)[N+]([O-])=O)c2ccccc2n1
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc(c(CC(O)=O)s1)-c1ccccc1 |t:9|
COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
Cc1ccc(c(C)c1)-n1c(=O)[c-](C[NH+]=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCOCC2)c2ccccc2c1=O |w:14.15,(7.08,7.7,;8.41,6.93,;8.41,5.39,;9.75,4.62,;11.08,5.39,;11.08,6.93,;12.42,7.7,;9.75,7.7,;12.42,4.62,;12.42,3.08,;11.08,2.31,;13.75,2.31,;13.75,.77,;12.42,,;12.42,-1.54,;11.08,-2.31,;9.75,-1.54,;8.41,-2.31,;8.41,-3.85,;9.75,-4.62,;11.08,-3.85,;12.42,-4.62,;13.75,-3.85,;12.42,-6.16,;7.08,-4.62,;7.85,-5.95,;6.31,-3.29,;5.75,-5.39,;5.75,-6.93,;4.41,-7.7,;3.08,-6.93,;3.08,-5.39,;4.41,-4.62,;15.08,3.08,;16.46,2.26,;17.86,3.05,;17.86,4.65,;16.46,5.44,;15.08,4.62,;13.75,5.39,;13.75,6.93,)|
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|
Oc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1c2CCCc2nc2ccccc12
Oc1ccc(cc1NC(=O)CSc1nc2ccccc2s1)S(=O)(=O)N1CCOCC1
OC(=O)c1cc(ccc1Cl)N=NCc1ccc(s1)N1CCOCC1 |w:11.12|
CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
CN(C)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
COc1ccccc1C1C2=C(N=c3sc(=Cc4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
CN(C)c1ccc(NC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)cc1
COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
Cc1sccc1C=NNC(=O)c1cccc2ccccc12 |w:7.8|
Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12
CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1=O
COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7|
CN(C)c1ccc(NC(=O)c2cccc(n2)C(=O)Nc2ccc(cc2)N(C)C)cc1
CCn1nc(C)c(C=NNC(=O)Cc2ccc(Cl)cc2)c1C |w:8.8|
CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1
CNCc1ccccc1Sc1cc(O)ccc1O
COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
Cc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c2ccccc2n1
CCC(C)NCCCOc1c(C)cc(C)cc1Br
CN(C)c1ccc(NC(=O)\C=C\c2ccc(C)o2)cc1
CCCCOC(=O)Nc1ccc(cc1)N(C)C
Cc1ccc(\C=C\C(=O)NCc2ccccn2)o1
OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
[H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccccc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(CCSCCO)c1C2
Cc1ccc2=NC(=O)C(NNc3nc4ccccc4s3)=c2c1 |c:21,t:4|
Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)cc(=O)n2[nH]1 |(13.85,-2.9,;12.31,-2.9,;11.41,-4.14,;9.94,-3.67,;9.94,-2.13,;8.7,-1.22,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|
CCOC(=O)c1ccc(NN=C2C(=O)NC(=O)C(C#N)=C2C)cc1 |w:10.9,c:19|
CC(=O)Nc1ccc(cc1)-c1csc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)n1
Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
Clc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)c(Cl)c1
[O-][N+](=O)c1ccc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)s1 |w:8.8|
NC(=S)n1[n-]c(c(N=[NH+]c2ccccc2[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5|
Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
Oc1c(\C=c2/sc3nc4ccccc4n3c2=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Cc1n[nH]c(=S)n(NC(=O)C=CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O |w:10.9|
COc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:13.14,15.16,t:7|
COc1cc(ccc1O)C1C2=C(Nc3[nH]c(N)nc(=O)c13)c1ccccc1C2=O |c:11|
CC1CC1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
CCOC(=O)c1c(C)c(sc1NC(=O)NN=Cc1ccc(O)c(OC)c1)C(C)=O |w:15.15|
NC(=S)n1[n-]c(c(N=[NH+]c2cccc(c2)[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2cccc(Cl)c2)cc1 |w:9.9|
Cc1ccc(cc1)C(=O)N\C(=C\c1ccccc1)C(=O)OCC=C
Oc1ccc(C=NNC(=O)CCN2CCN(CC2)c2ccccc2)c(O)c1O |w:6.6|
CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1ccc(O)c(O)c1O |w:15.16|
CC(C)CCOc1ccc(\C=C2/CCn3c2nc2cc(ccc2c3=O)C(O)=O)cc1
CNC(=S)Nc1sc2CCCc2c1C(=O)OC
COc1ccc(cc1NC(=S)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(O)=O
Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 |c:8|
CN(C)c1ccc(NC(=O)COC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1
CCN(CC)c1ccc(NC(=O)c2ccc3n(C)c(C)c(C)c3c2)cc1
CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 |w:10.10|
Cc1ccc(CNC(=O)c2ccc3c(c2)n2c([nH]c3=O)c(sc2=S)C(=O)NCC2CCCO2)cc1
[O-][N+](=O)c1ccc2c(c1)[c-](N=[NH2+])c1cc(ccc21)[N+]([O-])=O
CCOc1ccc(cc1Cl)C(=O)Nc1cc(NC(=O)c2ccc(OCC)c(Cl)c2)cc(c1)C(O)=O
CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Cc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(O)cc1 |w:10.10|
NC(=S)n1[n-]c(c(N=[NH+]c2cccc(Cl)c2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
CCc1ccc(cc1)S(=O)(=O)N=C1C=CC(=O)c2ccccc12 |w:11.11,c:14|
CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1=O
Cc1ccc(cc1[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O |w:7.7|
CC(=O)c1ccc(NC(=O)CC2Nc3cccc4cccc(NC2=O)c34)cc1
CN1C=C\C(=C/c2cc[n+](C)c3ccccc23)c2ccccc12 |c:2|
COc1cccc(c1)C(Nc1ccccn1)c1oc(CO)cc(=O)c1O
Oc1csc(=S)n1[NH+]=C[c-]1ccc(=O)c(c1)[N+]([O-])=O |w:7.7|
OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
Cc1c(Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12
COc1ccccc1NC(=O)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O |w:7.7|
Oc1ccc(cc1O)C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:23|
Oc1ccc(\C=C2\SC(=O)NC2=O)c(O)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1
COc1cccc(c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
OC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc2sc3CCCCc3c2C#N)cc1
OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OC(C)C(O)=O)c(OC)c2)C(=O)N1CCc1c[nH]c2ccccc12
CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)[C-](C#N)c1[nH+]c2ccccc2s1
OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2Cl)c1=O
COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
N=C1S\C(=C/c2ccco2)C(=O)N1c1ccc2OCOc2c1
CCc1n[nH]c(=S)n1[NH+]=C[c-]1cc(OC)cc([N+]([O-])=O)c1=O |w:8.8|
O=C(NCC1CCCO1)c1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)cc1
Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
[#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
Oc1c(Br)cc(C=Nc2ccc3nc([nH]c3c2)-c2ccccc2)c(O)c1Br |w:7.7|
Oc1c(cc(CN2CCOCC2)c2cccnc12)[N+]([O-])=O
Oc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1cccc(c1)[N+]([O-])=O)Sc1ccccc1[N+]([O-])=O
CCc1c(C)nc2ccc(OC)cc2c1S
CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1ccc2OCOc2c1 |w:3.3|
[H]C12C=CC([H])(C3C4C(C13)C(=O)N(C4=O)c1cccc(O)c1)C1C2C(=O)N(C1=O)c1cccc(O)c1 |c:2,TLB:27:22:9.6:2.3,THB:24:23:9.6:2.3|
NC(=S)n1[n-]c(c(N=[NH+]c2ccc(Cl)cc2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
COc1ccc(CN2C(=S)S\C(=C/c3ccc(o3)-c3ccc(Cl)c(c3)C(O)=O)C2=O)cc1
OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Nc1cc2OCOc2cc1[N+]([O-])=O
CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1cc(O)ccc1O)c1cc(O)ccc1O |w:3.3,13.13|
COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3cc(C)ccc3[nH]c12 |w:14.15|
S=c1[nH]nc(-c2cc([nH]n2)-c2ccccc2)n1N=Cc1c2ccccc2cc2ccccc12 |w:17.19|
Cc1cc(C)c2oc(cc(=O)c2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6|
Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1
[O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1
[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1
Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
COc1ccc(Cn2c(=O)[nH]c([O-])c([CH+]c3ccc(o3)[N+]([O-])=O)c2=O)cc1
Clc1ccc(NC(=O)Nc2nnc(\C=C\c3ccccc3)s2)cc1
COc1ccc(cc1)\[NH+]=c1/[n-]c(=O)c2cc(ccc2s1)[N+]([O-])=O
NS(=O)(=O)c1ccc(N=NCc2ccc3OCOc3c2)c(c1)[N+]([O-])=O |w:8.7|
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)o1
CN(C)S(=O)(=O)c1cccc(NC2=NN=C(CS2)c2ccc(NC(C)=O)cc2)c1 |c:14,t:12|
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1nc2ccccc2[nH]1
OC(=O)c1ccc(\C=C2/N=C(SCc3ccccc3Cl)SC2=O)cc1 |t:9|
OC(=O)c1cccc(c1)-c1ccc(\C=C2\N=C(OC2=O)c2cccs2)o1 |c:16|
CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)OC)cc1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C
Oc1cccc2ccc(C=Cc3cc(Cl)cc(Cl)c3O)nc12
CNCc1ccccc1OCc1ccccc1F
CCCCn1c(NCc2ccc(cc2)N(C)C)nc2ccccc12
CCOC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)-c2ccccc2)C=CC1=O |c:27,t:3|
Cc1ccc(o1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2cc(Br)ccc2n1
CN(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
CCOc1c(Cl)cc(CNc2ccc(cc2)N2CCCC2)cc1OC
CCCSC1=N\C(=C/c2ccc(o2)[N+]([O-])=O)C(=O)S1 |t:4|
CC1CCN(CC1)c1ccc(NC(=O)Cc2ccccc2)cc1
CCOc1ccc(cc1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
Oc1ccc(cc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccccc2)o1)[N+]([O-])=O
Cc1ccc(C(=O)Nc2ccc(cc2)N2CCCC2)c(C)c1
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)c1
COc1c[c-](\C=C(/C#N)c2[nH]c3cc(C)ccc3[nH+]2)cc([N+]([O-])=O)c1=O
OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\C=C\c2ccco2)C1=O)C(F)(F)F |c:12|
CC(C)(O)C#Cc1ccc(CN2CCN(C(CCO)C2)C2CCCCC2)cc1
Cc1ccc2C3C(Cl)C(CC3C(Nc2c1Cl)C(O)=O)Sc1ccccc1[N+]([O-])=O
CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
OC(=O)c1ccc(Oc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)cc1C(O)=O
OC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOC(=O)c1c(CSc2ccc(C)cc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cc2ccccc2oc1=O
COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Br)c1
COC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)-c2ccc(C)cc2)C=CC1=O |c:27,t:2|
COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(c1O)[N+]([O-])=O
[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Cl)c1
COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1
Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)cc2)o1
OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Oc1ccc(NC2=NC(=O)C(S2)=C2C(=O)Nc3ccccc23)cc1 |w:12.22,t:6|
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1
OC(=O)COc1ccccc1C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8|
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
CN(C)c1ccc(C=NNC(=O)c2cccc(n2)C(=O)NN=Cc2ccc(cc2)N(C)C)cc1 |w:8.8,21.21|
OCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(cc1)C(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
COc1cc(SC)ccc1C(=O)N1CCN(CC1)c1ccccc1
O=C(Nc1ccc(cc1)C(=O)\C=C/c1ccco1)c1ccco1
COc1ccc(O)c(N)c1
CCN(CC)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1
Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|
Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
Fc1cccc(NC(=S)NNc2c3ccccc3nc3ccccc23)c1
CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(SCc3ccco3)o1)C2=N |w:14.15,c:10,t:5|
COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(cc4)C(=O)N4CCCC4)c3=O)c2c1
Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
[O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
CCc1nn2c(nc(COc3ccc(\C=C4\C(=O)N=C5SC(C)=NN5C4=N)cc3)cc2=O)s1 |c:22,t:18|
Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
[O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2cccs2)o1
Cc1ccc(CNC(=O)c2ccc(cc2)-n2cccc2)cc1
CCc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
Cc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:21,t:18|
CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=CC(=O)c2ccccc12 |w:12.12,c:15|
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
Cc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:21,t:18|
CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccccc3Cl)C(=N)N12 |t:4,7|
[O-][N+](=O)c1ccc2C(=O)N(\N=C\c3ccco3)C(Nc2c1)c1ccco1
COc1ccc(Nc2cc(C)c3c(cccc3=O)[nH]2)cc1
COc1ccccc1N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:14.15|
COc1ccc(cc1)-c1csc(Nc2ccccc2)n1
Oc1ccccc1\C=C1/C(=O)Oc2ccccc2C1=O
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
OC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1O
Oc1ccc(cc1O)-c1csc(Nc2ncccn2)n1
Cc1nc(N)sc1-c1csc(Nc2ncccn2)n1
COc1cc(NCCC(=O)c2cccs2)c(OC)cc1Cl
CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3|
Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(Cl)c(Cl)c1
Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccccc3C(O)=O)c12
Cc1cc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(cc1C)[N+]([O-])=O
COc1ccc(cc1OC)-c1ccc2c(n1)sc1c2[nH]c(=O)[nH]c1=O
Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccncc1
OCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Oc1ccc(cc1O)C1C2C(=O)CCCC2=Nc2ccc3ncccc3c12 |c:17|
Nc1nc(=O)c2C(C3=C(Nc2[nH]1)c1ccccc1C3=O)c1cccc2ccccc12 |c:7|
Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Nc1ccc(N)c(c1)C(O)=O
NS(=O)(=O)c1ccc(cc1)N=NC(C#N)C#N |w:10.10|
Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(cc2)C(O)=O)n1
[O-][N+](=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1
Nc1ccc(cc1)-c1nc2cc(ccc2o1)[N+]([O-])=O
COc1cc(\C=C2\SC(=O)NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)-n1cccc1\C=C1\NC(=S)NC1=O
Cc1ccc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(c1)[N+]([O-])=O
Nc1cc2nc[nH]c2cc1N
CC(=NNC(=O)Cc1c(C)[nH][nH]c1=O)c1ccco1 |w:2.2|
Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O
Oc1ccc(cc1)C1C(C#N)C(=N)N(C2=C1S(=O)(=O)CC2)c1ccc(F)cc1 |c:15|
COc1cc(\C=C2/SC(=O)NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
COc1ccc(NC(=O)c2cc3cccc(OC)c3o\c2=N/c2ccc(cc2)C(O)=O)cc1OC
CC1=C(C#N)C(=O)NC(=O)\C1=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |c:1|
[O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1 |w:9.9|
COc1ccc(cc1)N1C(=S)NC(=O)C(=CC=Cc2ccccc2[N+]([O-])=O)C1=O |w:15.16,17.18|
[O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(OCc3cc(=O)n4nc(CC)sc4n3)c(OC)c1)C2=N |c:7,t:2|
[O-][N+](=O)c1cc(Br)c(=O)[c-](C[NH+]=Nc2nc3ccccc3s2)c1 |w:12.12|
Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O
COc1cc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1OC
OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(Cl)cc2)C1
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
[O-][N+](=O)c1cccc(c1)N=[NH+]C[c-]1cc(ccc1=O)[N+]([O-])=O |w:9.9|
COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
OC(=O)c1cccc(c1)N=NCC1=C(Cl)c2cc(Cl)ccc2SC1 |w:9.9,c:13|
COc1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)cc([N+]([O-])=O)c1=O
CC(=O)N1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc12 |w:6.25|
Brc1ccc2NC(=O)\C(=C3/SC(=S)N(NS(=O)(=O)c4ccccc4)C3=O)c2c1
COCc1cc(C)nc(N=NCc2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)c1C#N |w:9.8|
Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31
COc1ccc(cc1)-c1cnnc(N=NCc2ccc(O)cc2)n1 |w:13.13|
COc1ccccc1C(=O)N\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31|
CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
[O-][N+](=O)c1sccc1SCC(=O)Nc1cc(F)ccc1F
CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 |c:17|
NC(=O)c1nn(CC(=O)Nc2ccc3OCOc3c2)cc1[N+]([O-])=O
OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
[O-][N+](=O)c1sccc1SCC(=O)Nc1cccc(F)c1
CC(C)N1CCc2c(C1)sc(NC(=O)c1cc3cc(ccc3s1)[N+]([O-])=O)c2C(N)=O
O=C(NN=Cc1ccco1)c1cccc(c1)N1Cc2ccccc2C1 |w:3.2|
OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2ccc(cc2)C(F)(F)F)cc1 |c:11|
Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1Cc1ccccc1
CCN(C(C)C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc1
CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccco1)c1ccco1 |w:3.3,13.13|
CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
CN(C)c1ccc(\C=C\c2ccc3c(ccc4ccccc34)[n+]2-c2ccccc2)cc1
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O
CC(C)CC1NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O
COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
c1ccc(cc1)-c1ccc(cc1)-c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1
Fc1ccc(CNC(=O)c2c3CCCc3nc3ccccc23)cc1
COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
CCOC(=O)c1c(C)oc2c1c(CN1CCN(CCO)CC1)c(O)c1ccccc21
Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
CCN(C(C)C)c1ccc(NC(=O)COC(=O)\C=C\c2cccs2)cc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1cccs1
CC(=O)c1sc2nc(CSc3nnnn3-c3ccccc3)[nH]c(=O)c2c1C
CSCc1nc2sc(C(=O)Nc3nc(C)cs3)c(C)c2c(=O)[nH]1
Oc1ccc(cc1)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccs1
Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14|
COc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1O |w:7.7|
CC1CCCN(CCC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1
COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
COC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccn1
Cc1ccc(c(C)c1)-n1nc(cc1C(O)=O)-c1ccco1
OC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
OC(=O)CCCCCN1C(=S)S\C(=C\c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Oc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:6.6|
CCc1nnc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)s1
Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O |w:6.6|
CSc1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:8.8|
Oc1ccc(cc1)N1CCN(CC1)c1ncnc2sc(cc12)-c1ccccc1
CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O
COc1cc(CN=Nc2nc(C)nc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|
OC(=O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c(c1)[N+]([O-])=O
Cc1nc(COC(=O)c2cc(O)c3ccccc3c2O)cs1
OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O
OC(=O)Cc1c[nH]c2cccc(O)c12
CCN(C(C)C)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
Cc1cc(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)c(C)n1CC1CCCO1
CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
OCCC(=O)c1ccc(O)cc1
Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|
COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(-c3c4[C@H](O)[C@H](C)OCc4c(O)c4c(OC)cc(OC)cc34)c2c1 |wD:15.15,21.22,13.13,23.24,(15.09,3.2,;14.09,2.03,;12.58,2.3,;12.03,3.81,;10.45,4.07,;9.9,5.51,;10.88,6.7,;9.44,2.83,;7.92,3.1,;7.39,4.54,;6.93,1.92,;5.35,2.22,;4.31,1,;4.86,-.51,;3.42,-1.04,;6.44,-.78,;6.99,-2.22,;7.46,.47,;8.97,.2,;9.5,-1.25,;10.83,-2.02,;12.21,-1.19,;12.19,.35,;13.61,-1.98,;14.94,-1.21,;13.61,-3.59,;12.21,-4.38,;10.83,-3.56,;9.5,-4.33,;9.5,-5.87,;8.17,-3.56,;6.79,-4.38,;6.81,-5.92,;5.48,-6.7,;5.39,-3.59,;5.39,-1.98,;3.85,-1.98,;3.08,-3.31,;6.79,-1.19,;8.17,-2.02,;9.96,1.38,;11.54,1.08,)|
COc1ccc(cc1)-c1cc2nc3ccccc3n2c(N)c1C#N
O=C(NC1CC1)c1cc(nc2ccccc12)-c1ccco1
Nc1nc2N(Cc3cccs3)C(=O)Cc2c2c(C#N)c(nc(N)c12)N(CCO)CCO
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)|
OC(=O)c1ccccc1C=NNC(=O)c1cc(nc2ccccc12)-c1ccco1 |w:10.11|
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)nc3sc(C(O)=O)c(C)c23)n1
Oc1ccc(CN=Nc2cccc(c2)C(=O)NN=Cc2ccc(O)cc2)cc1 |w:7.7,17.17|
OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O
CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C
CCOC(=O)C1CCN(CC1)c1nc(N)c2c(N)nc(SCC(O)=O)cc2c1C#N
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
[O-][N+](=O)c1ncccc1OCC(=O)c1ccc(Cl)s1
OC(=O)c1nn(CC(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)c(=O)c2ccccc12
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
[O-][N+](=O)C([N+]([O-])=O)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1 |t:10,20,(3.08,-3.09,;4.61,-3.26,;5.23,-4.67,;5.52,-2.02,;4.9,-.61,;3.37,-.44,;5.81,.64,;7.05,-2.18,;7.7,-3.64,;9.29,-3.79,;10.2,-2.48,;11.73,-2.33,;12.05,-.83,;12.83,-2.23,;14.62,-2.43,;15.61,-1.23,;14.99,-.03,;13.38,-.06,;13.38,1.48,;12.05,2.25,;10.72,1.48,;9.31,2.26,;9.3,3.87,;10.69,4.67,;12.07,3.85,;10.72,-.06,;9.58,-1.09,;8,-.9,)|
CC(C)(C)C1=CC=C(C(=O)C1=O)C(C)(C)C |c:6,t:4|
Cc1ccc(cc1)C(=O)NNc1c2ccccc2nc2ccccc12
CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
COc1cc(CN=Nc2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O |w:7.7|
CCOc1cc(CN=Nc2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O |w:8.8|
COc1cc(CN=Nc2nc(c(NC(C)=O)s2)-c2ccc(C)cc2)ccc1O |w:7.7|
COc1cc(\C=C(\NC(C)=O)C(O)=O)cc(Cl)c1OCc1ccc(Br)cc1
CCOc1ccc(cc1)N1C(=O)S\C(=C/c2ccc(O)c(OC)c2)C1=O
CC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccc(C)cc1 |w:7.6|
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1ccc(Cl)cc1Cl |w:9.9|
COc1ccc(cc1)C1=CC(=O)C=CC1=O |c:13,t:9|
Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,10|
Oc1ccc(cc1)C(=O)\C=C\c1cccnc1
[#6]-[#8]-[#6]-1=[#6]\[#6](=[#6]/c2c(-[#7])n3c(csc3nc2=O)-c2ccccc2)-[#6]=[#6](-[#8]-[#6])-[#6]-1=O |t:2,26|
COc1ccc(cc1)C(=O)C[n+]1ccc(cc1)-c1nnc2CCCCCn12
C\C=C\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
[O-]N1c2cc(ccc2[N+](=O)C11CCCCC1)[N+]([O-])=O
CC1(C)N([O-])c2cc(ccc2[N+]1=O)[N+]([O-])=O
Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
[O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)Nc3cccnc3)c2c1 |w:11.11|
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1ccco1
Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O
COC(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1Cl |w:15.16,5.4|
CC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1cccs1 |w:7.6|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O
COc1cc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(OC)c1O |w:6.6|
Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12
CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Oc1n(NC=C2C=CC(=O)C(=O)C2=O)c(O)c2ccccc12 |w:4.3,c:6|
O=C(C1CCCCC1=O)c1ccccc1
COc1cc(\C=C\C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+]([O-])=O)ccc1O
COc1ccc(O)c(c1)C(=O)c1cc(SCC(O)=O)c2nc3sc4CCCCc4c3c(=O)n2c1
OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
COc1ccc(cc1)C(=O)Nc1cccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)c1
Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)c(O)c1 |w:7.7|
COc1cccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c1O |w:9.9|
CN(C)CCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n12
Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
CC(=O)c1sc2nc(ccc2c1N)-c1ccco1
Cc1ccc(\C=C2\C(C)=C(C#N)C(=O)N(C3CCS(=O)(=O)C3)C2=O)o1 |t:8|
CN(C)S(=O)(=O)c1cccc(c1)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Oc1ccc(cc1)N1C(=S)S\C(=C/c2ccccn2)C1=O
COc1ccc2c(c1)oc1nc(-c3ccccc3)n(-c3ccc(C)cc3)c(=O)c1c2=O
Nc1ccc(N)c2c(O)c3ccccc3c(O)c12
CCC1(CCc2c(cc(OC)c3ccccc23)C1=O)C(=O)OC
CCOC(=O)C=C(C)Sc1cc(O)c2ccccc2c1O
ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
N1C(Nc2cccc3cccc1c23)c1cccnc1
CC(=O)c1cc(O)c2ccccc2c1O
COc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12|
COc1ccc(NC=C2c3oc4cc(Cl)c(O)c(Cl)c4c3CCC2=O)cc1 |w:7.6|
COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O
COc1cc(ccc1Nc1ccccc1C(O)=O)-c1ccc(Nc2ccccc2C(O)=O)c(OC)c1
Cc1cccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c12 |c:12|
CC1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)C1C)-c1c(O)cc(O)c2c(O)c3C(=O)C(C)C(C)Oc3cc12 |(7.61,-9.78,;6.28,-9.01,;4.93,-9.81,;3.6,-9.04,;2.27,-9.81,;.93,-9.04,;-.41,-9.83,;-1.74,-9.06,;-3.07,-9.81,;-1.74,-7.52,;-.41,-6.73,;-.41,-5.21,;.93,-7.5,;2.25,-6.73,;2.25,-5.19,;3.59,-7.5,;4.92,-6.7,;4.91,-5.16,;6.26,-7.47,;7.59,-6.68,;-.4,-11.35,;-1.74,-12.12,;-3.07,-11.37,;-1.73,-13.66,;-.39,-14.43,;-.39,-15.97,;.94,-13.65,;2.27,-14.4,;2.27,-15.94,;3.58,-13.63,;4.91,-14.4,;4.91,-15.94,;6.24,-13.61,;7.58,-14.38,;6.23,-12.07,;7.54,-11.3,;4.88,-11.32,;3.58,-12.09,;2.25,-11.35,;.93,-12.12,)|
Oc1cc2cccc(=O)c(O)c2c(O)c1O
O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
[O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+]([O-])=O)c2c1
COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Oc1cc2c(O)oc3cc(=O)c(=O)oc3c2c(O)c1O
Nc1ccc2C(=O)c3c(Cl)c(N)ccc3C(=O)c2c1Cl
Cc1cc2nc(C=Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C
[O-][N+](=O)c1ccc(\[NH+]=N\c2ccc(=O)[c-](c2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1
Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
[O-][N+](=O)c1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)ccc1F
Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Oc1cc(N2CCN(CC2)S(=O)(=O)c2ccccc2)c(O)n1-c1ccccc1
CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O |c:5,t:15|
Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1
CC(=O)c1cc(C#N)c(SCc2ccccn2)nc1C
Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
CCOC(=O)NNc1ccc2nonc2c1[N+]([O-])=O
CC(C)CCC(CCN1CCCC1)c1ccc2OCOc2c1
C(=C/c1ccc2ccccc2n1)\c1ccco1
NC(=O)c1ccsc1NC(=O)COC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)-c1c[nH]c(=S)[nH]1
OC(=O)c1ccccc1N=NCc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O |w:9.9|
OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1cc(F)ccc1O
[O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|
Clc1ccccc1OCc1nnc(SCC(=O)NC(=O)NCc2ccco2)o1
COc1cc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc(OC)c1O |w:6.6|
CCNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 |w:7.6|
CC(N=Nc1cccc(c1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
CC(=O)Nc1ccc(cc1)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1 |t:11,13|
OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
O=c1n(Cc2ccco2)c(=S)[nH]c2sc3CCCc3c12
Oc1cc([O-])ccc1\C=[NH+]\N1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Cc1ccccc1C(=O)Nc1nc(cs1)-c1cccnc1
OC(=O)\C=C\c1cn(nc1-c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1
OC(=O)c1ccccc1N=NCc1cc(Br)cc(Br)c1O |w:9.9|
OC(=O)c1ccc(NN=CC2=C(N3CCOCC3)C(CC2)=Cc2ccccc2)cc1 |w:8.7,21.23,c:10|
O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccncc1
Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|
[O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|
CC(N=Nc1ccc(cc1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
[O-][N+](=O)c1ccc(cc1)N(C(=O)CCl)c1c(C=O)[nH]c2ccccc12
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
ON1ON=C2C1CCC(N=O)=C2N=Nc1ccccc1 |w:12.13,c:3,11|
O=C1Nc2ccc3sc4ccccc4c3c2C1=O
Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
OC(=O)c1cc(ccc1Cl)-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1 |w:14.14|
OC(=O)CCC(=O)NCCc1c(\C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)[nH]c2ccccc12
Oc1ccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c(O)c1 |w:7.7|
Oc1c(C=Nc2ccccn2)sc2ccccc12 |w:4.4|
Fc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)cc1 |w:12.13,t:6|
BrC(C=Nn1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1)=Cc1ccccc1 |w:3.3,21.24|
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1cccnc1 |w:20.21|
OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1 |w:14.14|
Cc1c(O)ccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c1O |w:9.9|
COc1ccc(cc1OC)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
COc1cc(ccc1-c1ccc(\C=N\NC(=O)c2ccccc2O)o1)[N+]([O-])=O
Oc1ccc(C=NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)cc1 |w:6.6,12.12|
Cc1cccc(N=Cc2sc3ccccc3c2O)n1 |w:6.5|
[O-]c1ccc2[n+]([O-])c3ccc(=O)cc3oc2c1
CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O |w:6.6,12.13|
COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
COc1ccc(cc1)C1C(C(=O)OCC=C)=C(C)N=c2s\c(=C3\C(=O)N(CC(O)=O)c4ccccc34)c(=O)n12 |t:16,19|
CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 |w:15.14|
COc1ccc(NC(=S)NNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1
Oc1ccc(cc1O)C1CC(=O)c2ccc(O)c(O)c2O1
COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:15|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O
[H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1
OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C(O)C1O
COc1ccc2[nH]c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:11|
CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:18,21,t:16|
COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:25,t:5,7|
[O-]c1[nH]c(=O)n(Cc2ccc(F)cc2)c(=O)c1[CH+]c1ccc(s1)[N+]([O-])=O
COc1cc(C=Cc2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O
OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1cc(Cl)ccc1Cl |w:9.9|
OC(=O)CCCCCN1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Cl)cc2)C1=O
Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)[nH]1 |w:10.11|
OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)o1 |w:15.16|
OC(=O)c1ccc(cc1)-n1cccc1C=NNC(=O)c1cc2cc(Br)ccc2o1 |w:15.17|
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:14.15|
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
Cc1n(Cc2ccccc2)c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c12
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
COc1ccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c(OC)c1OC |w:8.8|
Cn1cc(C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c2ccccc12
COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
Fc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
CN1C(=O)\C(=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c2ccccc12
C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC |w:9.9|
Cc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC
O=C1N(C(=S)S\C1=C\c1ccccn1)c1ccc(cc1)S(=O)(=O)Nc1nccs1
[O-][N+](=O)c1cccc2C(=O)CC(=O)c12
COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
Brc1ccc2NC(=O)\C(=C/C(=O)c3ccc4OCOc4c3)c2c1
CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Cc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:11|
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O
COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
COc1ccc(cc1)-n1c(O)c(Cl)c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O
COc1cc(\N=C2/SSNC2Cl)c(OC)cc1Cl
COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
O=C1NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCCCCC23)C(=O)N1Cc1ccccc1
CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O |w:11.10|
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Clc1ccc(SCC(=O)c2ccco2)cc1
CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
Clc1cccc(c1)-n1nc(cc1C(=O)N1CCCCC1)-c1ccco1
c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
COc1cc(NC(=O)c2noc3CCCc23)c(OC)cc1Cl
COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NCc1ccco1
Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Cc1ccc(o1)-c1cc(C(=O)Nc2ccc(C)cn2)c2ccccc2n1
Nc1ccc(cc1)C(=O)NN=Cc1cc(ccc1O)N=Nc1cccc2ccccc12 |w:20.22,10.10|
CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13|
[#8]-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#16]-1
Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
[H]C12CCC(C)(C(=O)N(NC(=O)c3ccccc3O)C1=O)C2(C)C |TLB:7:6:21:3.2,THB:20:19:21:3.2|
Oc1c(cc(CN2CCCC2)c2cccnc12)[N+]([O-])=O
OC(=O)c1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1
CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+]([O-])=O
Oc1c(CC=C)cccc1C=NNC(=O)CNc1cccc2ccccc12 |w:11.12|
Clc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O |w:14.15|
O=C(Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1)c1ccccc1
COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|
CNc1ccccc(C(=O)\C=C\c2ccccc2OC)c1=O
Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NN=Cc2ccncc2)cc1
COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
CCc1sc(cc1[N+]([O-])=O)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O |c:21|
COc1cccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)c1O |w:8.8|
Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9|
Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:11,30,t:9|
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|
OC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:18|
Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2o1
O=Cc1cccc(OC(=O)\C=C\c2ccco2)c1
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
Cc1ccc(cc1C)-c1csc2ncn(CC#N)c(=O)c12
Clc1cccc(c1)C1Nc2cccc3cccc(N1)c23
CCOC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2cc(ccc12)C(F)(F)F
COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C1CC1c1ccccc1
Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O |w:12.13|
[O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
OC(=O)CN1C(=S)S\C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+]([O-])=O)C1=O
Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1
Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O
CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 |w:2.2|
Oc1cc(O)cc(c1)C(=O)NN=Cc1ccoc1
O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
Brc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|
CC1(CCS(=O)(=O)C1)NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1cccc(NC(=O)CNC(=O)c2cccc(c2)-n2cccc2)c1C
CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1cccc(c1)-n1cccc1
CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
CCOc1ccc(NC(=O)c2cccc(c2)-n2cccc2)cc1S(=O)(=O)N1CCOCC1
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
CCC(=O)Nc1ccc(cc1)C(=O)COC(=O)c1nc2nccc(C)n2n1
COc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2C(N)=O)c1O
Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(n1)[N+]([O-])=O
CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
OC(=O)c1nc(ccc1OCCCOc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:28.30|
OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:26.28|
NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O |(-4.65,-4.76,;-5.98,-3.99,;-7.31,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
CC(C)Cc1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(CC(C)C)c(O)c(O)cc3c1=O)c2=O |(-7.31,-6.3,;-7.31,-4.76,;-8.65,-3.99,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccc1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1cn[nH]c1)-c1ccco1
Fc1ccccc1-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
Fc1cccc(c1)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
Fc1ccc(cc1)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
COc1cccc(c1)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
COc1ccc(cc1)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc(cc1)-c1ccccc1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1cccc(c1)-c1ccccc1)-c1ccco1
COCCOc1cccc(c1)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
COCCOc1ccc(cc1)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1cccc(Oc2ccccc2)c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc(Oc2ccccc2)cc1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccncc1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2cc[nH]c2c1)-c1ccco1
Cn1cnc2cc(ccc12)-c1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2[nH]ncc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2ccccc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1c[nH]c2ccccc12)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2ncccc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccn1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(Nc3ccccn3)cc12)-c1ccco1
CN(CCNc1ccc2nc(cc(C(=O)Nc3cccnc3)c2c1)-c1ccco1)Cc1ccccc1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2[nH]cnc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(NCCNc3ccccc3)cc12)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2[nH]ccc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2ccccc2n1)-c1ccco1
Cc1ccc(o1)-c1cc(C(=O)Nc2cccnc2)c2cc(ccc2n1)-c1ccccc1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccc1)-c1cc2ccccc2o1
CNC(=O)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1ccccc1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
Cc1nn(C)cc1-c1cc(C(=O)Nc2cccnc2)c2cc(ccc2n1)-c1ccccc1
O=C(Nc1cccnc1)c1cc(nc2ccc(NCCOc3ccccc3)cc12)-c1ccco1
Cn1cc(cn1)-c1cc(C(=O)Nc2cccnc2)c2cc(ccc2n1)-c1ccccc1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccc1)-c1cnn(c1)C1CCCCO1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccc1)-c1cn[nH]c1
CN1CCN(CC1)C(=O)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(NC1CC1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccc1)-c1nccs1
O=C(NC1CCCCC1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccccc1)-c1ncco1
O=C(Nc1ccncc1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1nc2ccccc2s1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
COC(=O)C1CCCN(C1)C(=O)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1ccccn1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
CN(C(=O)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1)c1cccnc1
COC(=O)C1CCN(CC1)C(=O)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)N1CCN(CC1)c1ccccc1)-c1ccco1
O=C(Nc1nc2ccccc2[nH]1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ccco1
CNC(=O)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ncco1
O=C(Nc1cccnc1)c1cc(nc2ccc(cc12)-c1ccc2scnc2c1)-c1ncco1
OC(=O)c1oc2ccccc2c1CCCc1cccc2ccccc12
OC(=O)c1oc2ccccc2c1CCc1cccc2ccccc12
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccccc1
Cc1cccc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)c1
Cc1ccc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)cc1
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(cc1)C(F)(F)F
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)cc1
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Br)cc1
COc1ccc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)cc1
OC(=O)c1sc2cccc(Cl)c2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c(sc3cccc(Cl)c23)C(O)=O)cc(C)c1Cl
Cc1ccccc1-c1ccc2c(CCCOc3cccc4ccccc34)c(sc2c1)C(O)=O
OC(=O)c1sc2cc(ccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12
OC(=O)C(=O)c1oc2ccc(Cl)cc2c1CCCOc1cccc2ccccc12
O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1oc2ccccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c(oc3ccccc23)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c(oc3ccccc23)C(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc(C)c1Cl
Cc1cc(OCCCc2c(oc3ccccc23)C(=O)NS(=O)(=O)c2cccc3ccccc23)cc(C)c1Cl
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(c1)C(F)(F)F
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2CCCCc2c1
CCc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)ccc1Cl
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCCc12
CS(=O)(=O)NC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12
O=C(NS(=O)(=O)Cc1ccccc1)c1sc2ccccc2c1CCCOc1cccc2ccccc12
OC(=O)c1sc2ccccc2c1CCCc1cccc2ccccc12
OC(=O)c1sc2ccccc2c1CCc1cccc2ccccc12
O=C(NS(=O)(=O)C1CC1)c1sc2ccccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c(sc3ccccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c(sc3ccccc23)C(=O)NS(=O)(=O)C2CC2)cc(C)c1Cl
Cc1cc(OCCCc2c(sc3cccc(Cl)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
OC(=O)c1sc2c(NCc3ccccc3)cccc2c1CCCOc1cccc2ccccc12
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCc12
CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1ccc(Cl)c(Cl)c1
CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCc12
CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1ccccc1Br
COc1cccc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)c1
CS(=O)(=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1CCCOc1cccc2ccccc12
Cc1ccc2c(CCCOc3cccc4ccccc34)c([nH]c2c1)C(=O)NS(C)(=O)=O
Cc1cc(OCCCc2c([nH]c3c(C)c(Br)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCCNC2CCCCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)CC2CCCCC2)cc(C)c1Cl
Cc4cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c1ccncc1)[nH]c3ccccc23)cc(C)c4Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccnc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccn[nH]2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cn[nH]c2)cc(C)c1Cl
Cc1nn(C)c(C)c1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cnn(Cc3ccccc3)c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2c[nH]cn2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cncn2C)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cnco2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cc(F)cc(F)n2)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)cc3)n(Cc3cccnc3)c3cc(Cl)ccc23)cc(C)c1Cl
OC(=O)c1sc2c(Cl)cccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c(sc3c(Cl)cccc23)C(O)=O)cc(C)c1Cl
Cc1ccc2c(CCCOc3cccc4ccccc34)c(sc2c1)C(O)=O
OC(=O)c1sc2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
FC(F)(F)S(=O)(=O)NC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
OC(=O)c1oc2ccccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)c2ccccc12
Cc1cc(OCCCc2c(sc3ccccc23)C(=O)NS(=O)(=O)Cc2ccccc2)cc(C)c1Cl
CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCCc12
Cc1cc(OCCCc2c([nH]c3ccc(Cl)cc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
CS(=O)(=O)NC(=O)c1[nH]c2cccc(Br)c2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCC2C(Nc3ccccc23)C(=O)NS(=O)(=O)CCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccno2)cc(C)c1Cl
Cc1ccoc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2nccn2Cc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cc(Br)no2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cncs2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc(C)c1Cl
CC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
CC(=O)N1CCC(CS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)CC1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(C)(=O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
OC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12
Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O
CS(=O)(=O)NC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)ccc1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)ccc1Cl
CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1ccc(Cl)c2ccccc12
Cc1cc(OCCCc2c([nH]c3cc(ccc23)C(F)(F)F)C(=O)NS(C)(=O)=O)ccc1Cl
Cc1cc(OCCCc2c([nH]c3cc(ccc23)C(F)(F)F)C(=O)NS(C)(=O)=O)cc(C)c1Cl
CS(=O)(=O)NC(=O)c1[nH]c2cc(ccc2c1CCCOc1cccc2ccccc12)C(F)(F)F
CS(=O)(=O)NC(=O)c1[nH]c2cccc(c2c1CCCOc1cccc2ccccc12)C(F)(F)F
Cc1cc(OCCCc2c([nH]c3c(Br)cccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Br)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
CS(=O)(=O)NC(=O)c1[nH]c2cc(Br)ccc2c1CCCOc1cccc2ccccc12
Cc1ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c2c1)C(=O)NS(C)(=O)=O
Cc1cc(OCCCc2c([nH]c3c(ccc(Cl)c23)-c2cnn(C)c2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2cccnc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccncc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccnc(Cl)c2)cc(C)c1Cl
COc1ccc(c(OC)c1)S(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCOc2ccccc2)cc(C)c1Cl
COc1ccc(Oc2cccc(c2)S(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(OCc3ccccc3)nc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)c2ccc(CO)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccccc2F)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc3ccccc3c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(c2)-c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)Cc2ccc(Br)cc2)cc(C)c1Cl
Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)n1C
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc3n(C)ccc3c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)NC2CCCCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCN(C\C=C\c2ccccc2)C\C=C\c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CC2CCN(CC2)C(=O)OCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CC2CCN(CC2)C(=O)c2cccn2C)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CCN(CC2)C(=O)C2CCCCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CCN(CC2)C(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CCN(CC2)C(=O)c2cc(n[nH]2)-c2ccccc2O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CCN(CC2)C(=O)c2cccn2Cc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cc(C)c1Cl
CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2[nH]c3cc(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(OCc3ccccc3)nc2)cc(C)c1Cl
Clc1ccc2c(CCCOc3cccc4ccccc34)c([nH]c2c1)C(=O)NS(=O)(=O)CCNC(=O)C1CCCCC1
Cc1occc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Clc1ccc2c(CCCOc3cccc4ccccc34)c([nH]c2c1)C(=O)NS(=O)(=O)CCNC(=O)c1ccc2cc[nH]c2c1
Clc1ccc2c(CCCOc3cccc4ccccc34)c([nH]c2c1)C(=O)NS(=O)(=O)CCNC(=O)CCc1ccccc1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2Cc2cccc(Cl)c2)cc(C)c1Cl
Cc1ccccc1Cn1cccc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCCNC(=O)CCc2cc(n[nH]2)-c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)cc3)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(C)(=O)=O)n(Cc3cccnc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccc(Oc4ccccc4)c3)n(Cc3cccnc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccn3Cc3ccccc3)n(Cc3cccnc3)c3cc(Cl)ccc23)cc(C)c1Cl
OC(=O)c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(sc12)C(O)=O
CS(=O)(=O)NC(=O)c1[nH]c2cccc(Cl)c2c1CCCOc1cccc2ccccc12
CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)Cc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cccc(c23)C(F)(F)F)C(=O)NS(C)(=O)=O)ccc1Cl
Cc1cc(OCCCc2c([nH]c3cccc(c23)C(F)(F)F)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(C)(=O)=O
COc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(C)(=O)=O
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccco2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccoc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccncc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccs2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccsc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(C)c(Cl)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)NS(C)(=O)=O)n(Cc4cccnc4)c23)cc1 |(-12.83,-5.07,;-11.74,-3.98,;-12.14,-2.49,;-10.26,-4.38,;-9.17,-3.29,;-7.68,-3.69,;-7.28,-5.17,;-8.37,-6.26,;-9.86,-5.86,;-5.79,-5.57,;-4.71,-4.48,;-3.22,-4.88,;-2.82,-6.37,;-1.33,-6.77,;-.24,-5.68,;1.24,-6.08,;1.72,-7.54,;3.26,-7.54,;4.03,-8.88,;3.74,-6.08,;5.07,-5.31,;2.49,-5.17,;2.49,-3.63,;1.16,-2.86,;1.16,-1.32,;2.49,-.55,;3.82,-1.32,;5.29,-.85,;5.69,.64,;7.18,1.04,;7.57,2.53,;9.06,2.93,;9.46,4.41,;8.37,5.5,;8.77,6.99,;7.68,8.08,;10.26,7.39,;10.66,8.88,;11.35,6.3,;12.83,6.7,;10.95,4.81,;6.19,-2.09,;7.73,-2.09,;8.5,-.76,;8.5,-3.43,;10.04,-3.43,;11.58,-3.43,;10.04,-4.97,;10.04,-1.89,;5.29,-3.34,;5.69,-4.83,;7.18,-5.22,;6.78,-6.71,;7.87,-7.8,;9.35,-7.4,;9.75,-5.92,;8.66,-4.83,;3.82,-2.86,;-3.91,-7.46,;-5.4,-7.06,)|
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(C)(=O)=O |(-.68,-5.31,;-2.01,-6.08,;-3.26,-5.17,;-4.51,-6.08,;-5.99,-5.68,;-7.08,-6.77,;-4.03,-7.54,;-2.49,-7.54,;-1.72,-8.88,;-3.26,-3.63,;-4.59,-2.86,;-4.59,-1.32,;-3.26,-.55,;-1.93,-1.32,;-.46,-.85,;-.06,.64,;1.42,1.04,;1.82,2.53,;3.31,2.93,;3.71,4.41,;2.62,5.5,;3.02,6.99,;1.93,8.08,;4.51,7.39,;4.9,8.88,;5.59,6.3,;7.08,6.7,;5.2,4.81,;.44,-2.09,;-.46,-3.34,;-1.93,-2.86,;1.98,-2.09,;2.75,-.76,;2.75,-3.43,;4.29,-3.43,;5.83,-3.43,;4.29,-4.97,;4.29,-1.89,)|
COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)n(Cc3cccnc3)c12 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,;-.63,-3.34,;.14,-4.67,;1.23,-5.76,;.83,-7.25,;1.92,-8.34,;3.4,-7.94,;3.8,-6.45,;2.71,-5.36,;-2.1,-2.86,)|
COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)n(C)c12 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,;-.63,-3.34,;.14,-4.67,;-2.1,-2.86,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc(C)c1Cl
Cc1ccccc1S(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)C2CCCCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl
Cc1occc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1ccc(o1)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccoc2)cc(C)c1Cl
Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)o1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)\C=C\c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)CCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)[C@@H]2Cc3ccccc3N2)cc(C)c1Cl |r|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccco2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2-c2ccccc2)cc(C)c1Cl
CCc1ccc(CC(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)Cc2cn(C)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc3cc[nH]c3c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)Cc2c[nH]c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc3[nH]ccc3c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl |TLB:38:29:36:32.33.34,28:29:32:36.35.34,28:29:36:32.33.34,THB:38:33:36:37.30.29,37:35:32:38.30.29,37:29:32:36.35.34|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccccn2)cc(C)c1Cl
Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)n1C1CC1
Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)n1Cc1ccccc1
Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)n1Cc1ccncc1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2Cc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2cccc(c2)C(=O)NC2CCOCC2)cc(C)c1Cl
Cc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2cccc(Br)c2)cc(C)c1Cl
COc1ccc(Oc2cccc(c2)S(=O)(=O)NC(=O)c2[nH]c3cc(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
Cc1occc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)Cc2cn(C)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc3n(C)ccc3c2)cc(C)c1Cl
CN1[C@@H](Cc2ccccc12)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |r|
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2Cc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2Cc2ccc(F)cc2)cc(C)c1Cl
Cc1cccc(Cn2cccc2C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3cc(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2Cc2cccc(F)c2)cc(C)c1Cl
COc1cccc(Cn2cccc2C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3cc(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2Cc2ccccc2F)cc(C)c1Cl
COc1ccc(Cn2cccc2C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3cc(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc(C)c1Cl
CC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
CCC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C(F)(F)F)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCCNC(=O)c2cccn2Cc2ccccc2)cc(C)c1Cl
COC(=O)c1ccc(o1)S(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(o2)C(=O)N2CCOCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(o2)C(=O)NC2CCOCC2)cc(C)c1Cl
COC(=O)c1ccc(n1C)S(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(CN3CCOCC3)n2C)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)n(Cc3cccnc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cccc(c1)S(=O)(=O)NC(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1Cc1cccnc1
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C3CCCCC3)n(Cc3cccnc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccn3Cc3ccccc3)n(Cc3ccccc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CCN(CC2)C(=O)CCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)ccc1Cl
Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)|
Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
COc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnc3ccccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1sccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ncccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccncc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cccc(Br)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(-c4cnn(C)c4)c(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnn(C)c2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)NS(=O)(=O)c4ccccc4)n(Cc4cccnc4)c23)cc1 |(-13.75,-5.07,;-12.66,-3.98,;-13.06,-2.49,;-11.17,-4.38,;-10.08,-3.29,;-8.6,-3.69,;-8.2,-5.17,;-9.29,-6.26,;-10.77,-5.86,;-6.71,-5.57,;-5.62,-4.48,;-4.13,-4.88,;-3.73,-6.37,;-2.25,-6.77,;-1.16,-5.68,;.33,-6.08,;.81,-7.54,;2.35,-7.54,;3.12,-8.88,;2.82,-6.08,;4.15,-5.31,;1.58,-5.17,;1.58,-3.63,;.24,-2.86,;.24,-1.32,;1.58,-.55,;2.91,-1.32,;4.37,-.85,;4.77,.64,;6.26,1.04,;6.66,2.53,;8.15,2.93,;8.54,4.41,;7.46,5.5,;7.85,6.99,;6.76,8.08,;9.34,7.39,;9.74,8.88,;10.43,6.3,;11.92,6.7,;10.03,4.81,;5.28,-2.09,;6.82,-2.09,;7.59,-.76,;7.59,-3.43,;9.13,-3.43,;9.13,-4.97,;9.13,-1.89,;10.67,-3.43,;11.44,-4.76,;12.98,-4.76,;13.75,-3.43,;12.98,-2.09,;11.44,-2.09,;4.37,-3.34,;4.77,-4.83,;6.26,-5.22,;5.86,-6.71,;6.95,-7.8,;8.44,-7.4,;8.84,-5.91,;7.75,-4.83,;2.91,-2.86,;-4.82,-7.46,;-6.31,-7.06,)|
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.6,-5.31,;-2.93,-6.08,;-4.18,-5.17,;-5.42,-6.08,;-6.91,-5.68,;-8,-6.77,;-4.95,-7.54,;-3.41,-7.54,;-2.64,-8.88,;-4.18,-3.63,;-5.51,-2.86,;-5.51,-1.32,;-4.18,-.55,;-2.84,-1.32,;-1.38,-.85,;-.98,.64,;.51,1.04,;.91,2.53,;2.39,2.93,;2.79,4.41,;1.7,5.5,;2.1,6.99,;1.01,8.08,;3.59,7.39,;3.99,8.88,;4.68,6.3,;6.17,6.7,;4.28,4.81,;-.47,-2.09,;-1.38,-3.34,;-2.84,-2.86,;1.07,-2.09,;1.84,-.76,;1.84,-3.43,;3.38,-3.43,;3.38,-4.97,;3.38,-1.89,;4.92,-3.43,;5.69,-4.76,;7.23,-4.76,;8,-3.43,;7.23,-2.09,;5.69,-2.09,)|
COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;-.63,-3.34,;-2.1,-2.86,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)NC(=O)c2cccn2C)cc(C)c1Cl
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(C)c1 |(-1.46,-5.28,;-2.83,-6.07,;-4.12,-5.14,;-5.4,-6.07,;-6.77,-5.28,;-8.15,-6.07,;-4.91,-7.58,;-3.32,-7.58,;-2.53,-8.95,;-4.12,-3.55,;-5.45,-2.78,;-5.45,-1.24,;-4.12,-.47,;-2.78,-1.24,;-1.32,-.77,;-.92,.72,;.57,1.12,;.97,2.6,;2.45,3,;2.85,4.49,;1.76,5.58,;2.16,7.07,;1.07,8.16,;3.65,7.47,;4.05,8.95,;4.74,6.38,;6.22,6.77,;4.34,4.89,;-.41,-2.01,;-1.32,-3.26,;-2.78,-2.78,;1.13,-2.01,;1.9,-3.35,;1.9,-.68,;3.44,-.68,;3.44,-2.22,;3.44,.86,;4.98,-.68,;5.77,.69,;7.35,.69,;8.15,-.68,;7.35,-2.05,;8.15,-3.43,;5.77,-2.05,)|
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)C1CCCCC1 |(-5.76,-3.86,;-7.34,-3.86,;-7.99,-2.41,;-9.56,-2.58,;-10.36,-1.21,;-10.36,.38,;-9.89,-4.13,;-8.52,-4.92,;-8.52,-6.51,;-7.19,-1.04,;-7.96,.29,;-7.19,1.63,;-5.65,1.63,;-4.88,.29,;-3.38,-.03,;-2.29,1.06,;-.8,.66,;.29,1.75,;1.78,1.35,;2.86,2.44,;2.47,3.93,;3.55,5.02,;3.16,6.51,;5.04,4.62,;6.13,5.71,;5.44,3.13,;6.93,2.74,;4.35,2.04,;-3.22,-1.56,;-4.62,-2.18,;-5.65,-1.04,;-1.88,-2.33,;-1.88,-3.87,;-.55,-1.56,;.78,-2.33,;.01,-3.66,;1.55,-.99,;2.12,-3.1,;3.49,-2.3,;4.86,-3.1,;6.24,-2.3,;6.24,-.72,;7.61,-3.1,;7.61,-4.68,;8.98,-5.48,;10.36,-4.68,;10.36,-3.1,;8.98,-2.3,)|
Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)c1cccn1C |(-5.49,-1.35,;-7.02,-.94,;-7.27,.63,;-8.84,.87,;-9.25,2.41,;-8.16,3.49,;-9.56,-.54,;-8.43,-1.66,;-8.85,-3.19,;-6.15,1.75,;-6.55,3.23,;-5.46,4.32,;-3.97,3.92,;-3.57,2.44,;-2.2,1.74,;-.87,2.51,;.47,1.74,;1.8,2.51,;3.13,1.74,;4.47,2.51,;4.47,4.05,;5.8,4.82,;5.8,6.36,;7.14,4.05,;8.47,4.82,;7.14,2.51,;8.47,1.74,;5.8,1.74,;-2.44,.22,;-3.96,-.02,;-4.66,1.35,;-1.35,-.87,;-1.75,-2.36,;.14,-.47,;1.22,-1.56,;.14,-2.65,;2.31,-.47,;2.31,-2.65,;3.8,-2.25,;4.89,-3.34,;6.38,-2.94,;6.78,-1.46,;7.47,-4.03,;9,-3.95,;9.56,-5.39,;8.36,-6.36,;7.07,-5.52,;5.58,-5.92,)|
CN\C(C)=C(/C(=N)CO)c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)CCNC(=O)c1cccn1Cc1ccccc1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)CCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccco2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2C)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)[C@@H]2Cc3ccccc3N2)cc(C)c1Cl |r|
CC(C)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(c2)C(F)(F)F)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(CO)o2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(o2)C(O)=O)cc(C)c1Cl
COC(=O)c1cc(oc1C)S(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccc(C(O)=O)n2C)cc(C)c1Cl
Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)n1-c1ccc(F)cc1
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cn3ccnc3cc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cn3nnnc3cc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
COc1nccc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-.09,-1.42,;.54,-2.83,;1.87,-3.6,;1.87,-5.14,;3.21,-5.91,;4.54,-5.14,;4.54,-3.6,;5.87,-2.83,;3.21,-2.83,;3.21,-1.29,;4.54,-.52,;4.54,1.02,;3.21,1.79,;1.87,1.02,;.41,1.5,;-.07,2.96,;.96,4.11,;.49,5.57,;1.52,6.72,;1.04,8.18,;-.47,8.5,;-.94,9.97,;-2.45,10.29,;.09,11.11,;-.39,12.57,;1.59,10.79,;2.63,11.93,;2.07,9.33,;-.5,.25,;.41,-.99,;1.87,-.52,;-2.04,.25,;-2.81,1.59,;-2.81,-1.08,;-2.04,-2.41,;-3.37,-3.18,;-.7,-1.64,;-1.27,-3.75,;.27,-3.75,;1.04,-5.08,;.27,-6.42,;-1.27,-6.42,;-2.04,-5.08,)|
CCn1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
CCCn1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
CC(C)n1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.78,2.77,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,)|
Cc1c(c(COc2ccccn2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)|
Cc1c(c(COc2cccnc2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)|
CN(C)CCOCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(13.4,-2.38,;12.25,-1.35,;12.57,.15,;10.79,-1.83,;9.64,-.8,;8.18,-1.28,;7.03,-.24,;5.57,-.72,;5.09,-2.19,;3.55,-2.19,;2.65,-3.43,;3.08,-.72,;1.61,-.24,;4.32,.18,;4.32,1.72,;5.66,2.49,;5.66,4.03,;4.32,4.8,;2.99,4.03,;1.53,4.51,;1.05,5.97,;-.46,6.29,;-.93,7.76,;-2.44,8.08,;-3.47,6.94,;-2.99,5.47,;-4.02,4.33,;-3.55,2.86,;-5.53,4.65,;-6.56,3.5,;-6.01,6.11,;-7.51,6.43,;-4.98,7.26,;.62,3.26,;1.53,2.02,;2.99,2.49,;-.92,3.26,;-1.69,4.6,;-1.69,1.93,;-.92,.6,;.41,1.37,;-.15,-.74,;-2.25,-.17,;-2.25,-1.71,;-3.59,-2.48,;-4.92,-1.71,;-4.92,-.17,;-3.59,.6,)|
Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C
[O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |r,t:49|
[O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
CCOC(=O)CCNC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCc2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCc2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N2CCC(CC2)N2CCOCC2)cc(C)c1Cl
CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
CCOC(=O)c1ccc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)n[nH]c2C)o1 |(-5.58,12.2,;-4.33,11.29,;-4.49,9.76,;-3.24,8.86,;-1.84,9.48,;-3.41,7.33,;-4.74,6.56,;-4.42,5.05,;-2.89,4.89,;-2.12,3.55,;-2.89,2.22,;-2.12,.89,;-2.89,-.45,;-.58,.89,;.33,2.13,;1.79,1.66,;3.13,2.43,;4.46,1.66,;4.46,.12,;3.13,-.65,;1.79,.12,;.33,-.36,;-.15,-1.82,;.88,-2.97,;.41,-4.43,;1.44,-5.58,;.96,-7.04,;-.55,-7.36,;-1.02,-8.83,;-2.53,-9.15,;.01,-9.97,;-.47,-11.44,;1.52,-9.65,;2.55,-10.79,;1.99,-8.19,;3.13,3.97,;1.88,4.87,;.42,4.4,;2.36,6.34,;3.9,6.34,;4.37,4.87,;5.84,4.4,;-2.26,6.3,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1 |(-4.91,5.97,;-6.25,6.74,;-6.72,8.21,;-8.26,8.21,;-8.74,6.74,;-10.07,5.97,;-7.49,5.84,;-7.49,4.3,;-8.83,3.53,;-8.83,1.99,;-7.49,1.22,;-6.16,1.99,;-4.69,1.51,;-4.3,.03,;-2.81,-.37,;-2.41,-1.86,;-.92,-2.26,;-.52,-3.75,;.96,-4.14,;1.36,-5.63,;2.85,-6.03,;.27,-6.72,;.67,-8.21,;-1.21,-6.32,;-2.3,-7.41,;-1.61,-4.84,;-3.79,2.76,;-4.69,4.01,;-6.16,3.53,;-2.25,2.76,;-1.48,1.43,;-1.48,4.09,;.06,4.09,;.83,2.76,;.06,1.43,;.83,.09,;2.37,.09,;3.14,1.43,;2.37,2.76,;4.68,1.43,;5.45,2.76,;5.45,.09,;6.99,.09,;7.76,-1.24,;6.99,-2.58,;7.76,-3.91,;9.3,-3.91,;10.07,-2.58,;9.3,-1.24,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NCc3ccc(o3)C(O)=O)n(C)c12 |(-2.63,5.31,;-3.97,6.08,;-4.44,7.54,;-5.98,7.54,;-6.75,8.88,;-6.46,6.08,;-7.79,5.31,;-5.21,5.17,;-5.21,3.63,;-6.55,2.86,;-6.55,1.32,;-5.21,.55,;-3.88,1.32,;-2.42,.85,;-2.02,-.64,;-.53,-1.04,;-.13,-2.53,;1.36,-2.93,;1.76,-4.41,;3.24,-4.81,;3.64,-6.3,;5.13,-6.7,;2.55,-7.39,;2.95,-8.88,;1.07,-6.99,;-.02,-8.08,;.67,-5.5,;-1.51,2.09,;.03,2.09,;.8,.76,;.8,3.43,;2.34,3.43,;3.11,2.09,;2.63,.63,;3.88,-.28,;5.13,.63,;4.65,2.09,;6.46,-.14,;6.46,-1.68,;7.79,.63,;-2.42,3.34,;-1.65,4.67,;-3.88,2.86,)|
CCOC(=O)c1ccc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)o1 |(-12.74,6.05,;-11.49,6.96,;-10.08,6.33,;-8.84,7.24,;-9,8.77,;-7.43,6.61,;-6.1,7.38,;-4.95,6.35,;-5.58,4.94,;-4.81,3.61,;-3.27,3.61,;-2.5,2.27,;-3.27,.94,;-.96,2.27,;-.05,3.52,;1.41,3.04,;2.74,3.81,;4.08,3.04,;4.08,1.5,;2.74,.73,;1.41,1.5,;-.05,1.03,;-.53,-.44,;.5,-1.58,;.02,-3.05,;1.05,-4.19,;.58,-5.65,;-.93,-5.97,;-1.4,-7.44,;-2.91,-7.76,;-.37,-8.58,;-.85,-10.05,;1.13,-8.26,;2.16,-9.41,;1.61,-6.8,;2.74,5.35,;1.5,6.26,;.03,5.78,;1.97,7.72,;3.51,7.72,;4.42,8.97,;3.99,6.26,;5.45,5.78,;-7.11,5.1,)|
COC(=O)c1cc(Cl)nc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)c1 |(-10.36,.82,;-8.82,.82,;-8.05,-.51,;-8.82,-1.85,;-6.51,-.51,;-5.74,-1.85,;-4.2,-1.85,;-3.43,-3.18,;-3.43,-.51,;-4.2,.82,;-3.43,2.15,;-1.89,2.15,;-1.12,3.49,;-1.89,4.82,;.42,3.49,;1.32,4.73,;2.79,4.26,;4.12,5.03,;5.45,4.26,;5.45,2.72,;4.12,1.95,;2.79,2.72,;1.32,2.24,;.84,.78,;1.88,-.37,;1.4,-1.83,;2.43,-2.98,;1.95,-4.44,;.45,-4.76,;-.03,-6.23,;-1.53,-6.55,;1,-7.37,;.53,-8.83,;2.51,-7.05,;3.54,-8.19,;2.98,-5.59,;4.12,6.57,;2.87,7.47,;1.41,7,;3.35,8.94,;4.89,8.94,;5.79,10.18,;5.36,7.47,;6.83,7,;-5.74,.82,)|
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1[nH]c2c(cccc2c1CCCOc1cc(C)c(Cl)c(C)c1)-c1c(C)nn(C)c1C |r,wU:4.8,(6.99,2.82,;7.76,4.15,;6.99,5.48,;7.76,6.82,;5.45,5.48,;4.68,6.82,;5.45,8.15,;4.68,9.49,;6.99,8.15,;4.68,4.15,;3.14,4.15,;2.37,5.48,;2.37,2.82,;.83,2.82,;.06,1.48,;.83,.15,;-1.48,1.48,;-2.38,2.73,;-3.85,2.25,;-5.18,3.02,;-6.52,2.25,;-6.52,.71,;-5.18,-.06,;-3.85,.71,;-2.38,.24,;-1.99,-1.25,;-.5,-1.65,;-.1,-3.14,;1.39,-3.54,;1.79,-5.02,;3.27,-5.42,;3.67,-6.91,;5.16,-7.31,;2.58,-8,;2.98,-9.49,;1.1,-7.6,;.01,-8.69,;.7,-6.11,;-5.18,4.56,;-3.94,5.47,;-2.6,4.7,;-4.41,6.93,;-5.95,6.93,;-6.72,8.27,;-6.43,5.47,;-7.76,4.7,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NC(C)(C)C)cc(C)c1Cl
COC(=O)CNC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)Nc2ccccc2)cc(C)c1Cl
CN(C)C(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1c(CCNC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc2n1C
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N2CCN(CC2)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N2CCC(CC2)NC(=O)OC(C)(C)C)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)N2CCN(CC2)c2ccc(cc2)C(O)=O)cc(C)c1Cl
CCOC(=O)c1ccc(CNC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)o1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N2CCC(CC2)NC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(Cl)nc1 |(-1.45,5.31,;-2.78,6.08,;-3.26,7.54,;-4.8,7.54,;-5.57,8.88,;-5.27,6.08,;-6.61,5.31,;-4.03,5.17,;-4.03,3.63,;-5.36,2.86,;-5.36,1.32,;-4.03,.55,;-2.69,1.32,;-1.23,.85,;-.83,-.64,;.66,-1.04,;1.06,-2.53,;2.54,-2.93,;2.94,-4.41,;4.43,-4.81,;4.83,-6.3,;6.32,-6.7,;3.74,-7.39,;4.14,-8.88,;2.25,-6.99,;1.16,-8.08,;1.85,-5.5,;-.32,2.09,;-1.23,3.34,;-2.69,2.86,;1.22,2.09,;1.99,.76,;1.99,3.43,;3.53,3.43,;4.3,4.76,;3.53,6.09,;4.3,7.43,;5.84,7.43,;6.61,8.76,;6.61,6.09,;5.84,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(nc1)N1CCc2ccccc2C1 |(-3.76,3.36,;-5.09,4.13,;-5.57,5.6,;-7.11,5.6,;-7.88,6.93,;-7.58,4.13,;-8.92,3.36,;-6.34,3.23,;-6.34,1.69,;-7.67,.92,;-7.67,-.62,;-6.34,-1.39,;-5,-.62,;-3.54,-1.1,;-3.14,-2.58,;-1.65,-2.98,;-1.25,-4.47,;.23,-4.87,;.63,-6.36,;2.12,-6.75,;2.52,-8.24,;4.01,-8.64,;1.43,-9.33,;1.83,-10.82,;-.06,-8.93,;-1.15,-10.02,;-.46,-7.45,;-2.63,.15,;-3.54,1.4,;-5,.92,;-1.09,.15,;-.32,-1.18,;-.32,1.48,;1.22,1.48,;1.99,2.82,;1.22,4.15,;1.99,5.48,;3.53,5.48,;4.3,4.15,;3.53,2.82,;4.3,6.82,;3.53,8.15,;4.3,9.49,;5.84,9.49,;6.61,10.82,;8.15,10.82,;8.92,9.49,;8.15,8.15,;6.61,8.15,;5.84,6.82,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(OC(F)(F)F)c1 |(-3.37,5.31,;-4.71,6.08,;-5.18,7.54,;-6.72,7.54,;-7.49,8.88,;-7.2,6.08,;-8.53,5.31,;-5.95,5.17,;-5.95,3.63,;-7.29,2.86,;-7.29,1.32,;-5.95,.55,;-4.62,1.32,;-3.15,.85,;-2.76,-.64,;-1.27,-1.04,;-.87,-2.53,;.62,-2.93,;1.02,-4.41,;2.5,-4.81,;2.9,-6.3,;4.39,-6.7,;1.81,-7.39,;2.21,-8.88,;.33,-6.99,;-.76,-8.08,;-.07,-5.5,;-2.25,2.09,;-3.15,3.34,;-4.62,2.86,;-.71,2.09,;.06,.76,;.06,3.43,;1.6,3.43,;2.37,4.76,;1.6,6.09,;2.37,7.43,;3.91,7.43,;4.74,6.09,;6.28,6.09,;7.05,4.76,;7.82,3.43,;5.71,3.99,;8.38,5.53,;3.91,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C)cc(OC(F)(F)F)c1 |(-3.37,5.31,;-4.71,6.08,;-5.18,7.54,;-6.72,7.54,;-7.49,8.88,;-7.2,6.08,;-8.53,5.31,;-5.95,5.17,;-5.95,3.63,;-7.29,2.86,;-7.29,1.32,;-5.95,.55,;-4.62,1.32,;-3.15,.85,;-2.76,-.64,;-1.27,-1.04,;-.87,-2.53,;.62,-2.93,;1.02,-4.41,;2.5,-4.81,;2.9,-6.3,;4.39,-6.7,;1.81,-7.39,;2.21,-8.88,;.33,-6.99,;-.76,-8.08,;-.07,-5.5,;-2.25,2.09,;-3.15,3.34,;-4.62,2.86,;-.71,2.09,;.06,.76,;.06,3.43,;1.6,3.43,;2.37,4.76,;1.6,6.09,;2.37,7.43,;1.6,8.76,;3.91,7.43,;4.74,6.09,;6.28,6.09,;7.05,4.76,;7.82,3.43,;5.71,3.99,;8.38,5.53,;3.91,4.76,)|
COC(=O)c1cc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)oc1C |(-10.08,9.39,;-8.68,8.76,;-8.52,7.23,;-9.76,6.32,;-7.11,6.6,;-6.79,5.1,;-5.26,4.94,;-4.49,3.6,;-2.95,3.6,;-2.18,2.27,;-2.95,.93,;-.64,2.27,;.27,3.51,;1.73,3.04,;3.07,3.81,;4.4,3.04,;4.4,1.5,;3.07,.73,;1.73,1.5,;.27,1.02,;-.21,-.44,;.82,-1.59,;.35,-3.05,;1.38,-4.2,;.9,-5.66,;-.61,-5.98,;-1.08,-7.45,;-2.59,-7.77,;-.05,-8.59,;-.53,-10.05,;1.45,-8.27,;2.49,-9.41,;1.93,-6.8,;3.07,5.35,;1.82,6.25,;.35,5.78,;2.3,7.72,;3.84,7.72,;4.74,8.96,;4.31,6.25,;5.78,5.78,;-4.63,6.34,;-5.78,7.37,;-5.62,8.9,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(=O)NCc2ccccc2)c(C)o1 |(-2.59,5.31,;-3.92,6.08,;-4.4,7.54,;-5.94,7.54,;-6.71,8.88,;-6.41,6.08,;-7.75,5.31,;-5.17,5.17,;-5.17,3.63,;-6.5,2.86,;-6.5,1.32,;-5.17,.55,;-3.83,1.32,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;3.29,-4.81,;3.69,-6.3,;5.17,-6.7,;2.6,-7.39,;3,-8.88,;1.11,-6.99,;.02,-8.08,;.71,-5.5,;-1.46,2.09,;-2.37,3.34,;-3.83,2.86,;.08,2.09,;.85,.76,;.85,3.43,;2.39,3.43,;3.16,4.76,;4.7,4.76,;5.17,6.22,;6.66,6.62,;7.06,8.11,;7.75,5.53,;9.24,5.93,;9.63,7.42,;8.54,8.51,;8.94,10,;10.43,10.4,;11.52,9.31,;11.12,7.82,;3.93,7.13,;3.93,8.67,;2.68,6.22,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(cc(NC2Cc3ccccc3C2)n1)C(=O)NC1Cc2ccccc2C1 |(-4.2,3.93,;-5.53,4.7,;-6,6.16,;-7.54,6.16,;-8.31,7.5,;-8.02,4.7,;-9.35,3.93,;-6.77,3.79,;-6.77,2.25,;-8.11,1.48,;-8.11,-.06,;-6.77,-.83,;-5.44,-.06,;-3.98,-.53,;-3.58,-2.02,;-2.09,-2.42,;-1.69,-3.91,;-.2,-4.31,;.19,-5.79,;1.68,-6.19,;2.08,-7.68,;3.57,-8.08,;.99,-8.77,;1.39,-10.26,;-.5,-8.37,;-1.58,-9.46,;-.89,-6.88,;-3.07,.71,;-3.98,1.96,;-5.44,1.48,;-1.53,.71,;-.76,-.62,;-.76,2.05,;.78,2.05,;1.55,3.38,;.78,4.71,;1.55,6.05,;3.09,6.05,;3.86,4.71,;5.4,4.71,;6.17,3.38,;7.7,3.22,;8.02,1.71,;9.35,.94,;9.35,-.6,;8.02,-1.37,;6.69,-.6,;6.69,.94,;5.54,1.97,;3.09,3.38,;.78,7.38,;-.76,7.38,;1.55,8.72,;3.09,8.72,;3.99,7.47,;5.46,7.95,;6.79,7.18,;8.13,7.95,;8.13,9.49,;6.79,10.26,;5.46,9.49,;3.99,9.96,)|
COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1[nH]c2c(cccc2c1CCCOc1cc(C)c(Cl)c(C)c1)-c1c(C)nn(C)c1C |r,wU:4.12,(6.99,2.15,;7.76,3.48,;6.99,4.82,;7.76,6.15,;5.45,4.82,;4.68,6.15,;5.45,7.48,;4.68,8.82,;5.45,10.15,;6.99,10.15,;7.76,8.82,;6.99,7.48,;4.68,3.48,;3.14,3.48,;2.37,4.82,;2.37,2.15,;.83,2.15,;.06,.82,;.83,-.52,;-1.48,.82,;-2.38,2.06,;-3.85,1.59,;-5.18,2.36,;-6.52,1.59,;-6.52,.05,;-5.18,-.72,;-3.85,.05,;-2.38,-.43,;-1.99,-1.92,;-.5,-2.32,;-.1,-3.8,;1.39,-4.2,;1.79,-5.69,;3.27,-6.09,;3.67,-7.58,;5.16,-7.97,;2.58,-8.66,;2.98,-10.15,;1.1,-8.27,;.01,-9.35,;.7,-6.78,;-5.18,3.9,;-3.94,4.8,;-2.6,4.03,;-4.41,6.27,;-5.95,6.27,;-6.72,7.6,;-6.43,4.8,;-7.76,4.03,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(=O)NS(=O)(=O)C2CC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(C)(=O)=O)cc(C)c1Cl
COC(=O)c1cccc(c1)N1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCS(=O)(=O)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl |TLB:32:33:36.30.31:37,36:35:38:32.30.31,36:31:38:35.34.37,THB:32:31:38.33.34:37|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NC2CCN(CC2)C(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccnc(Cl)c1 |(-1.45,5.31,;-2.78,6.08,;-3.26,7.54,;-4.8,7.54,;-5.57,8.88,;-5.27,6.08,;-6.61,5.31,;-4.03,5.17,;-4.03,3.63,;-5.36,2.86,;-5.36,1.32,;-4.03,.55,;-2.69,1.32,;-1.23,.85,;-.83,-.64,;.66,-1.04,;1.06,-2.53,;2.54,-2.93,;2.94,-4.41,;4.43,-4.81,;4.83,-6.3,;6.32,-6.7,;3.74,-7.39,;4.14,-8.88,;2.25,-6.99,;1.16,-8.08,;1.85,-5.5,;-.32,2.09,;-1.23,3.34,;-2.69,2.86,;1.22,2.09,;1.99,.76,;1.99,3.43,;3.53,3.43,;4.3,4.76,;5.84,4.76,;6.61,6.09,;5.84,7.43,;4.3,7.43,;3.53,8.76,;3.53,6.09,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc[nH]n1 |(-1.3,5.31,;-2.64,6.08,;-3.11,7.54,;-4.65,7.54,;-5.42,8.88,;-5.13,6.08,;-6.46,5.31,;-3.88,5.17,;-3.88,3.63,;-5.22,2.86,;-5.22,1.32,;-3.88,.55,;-2.55,1.32,;-1.08,.85,;-.68,-.64,;.8,-1.04,;1.2,-2.53,;2.69,-2.93,;3.09,-4.41,;4.58,-4.81,;4.97,-6.3,;6.46,-6.7,;3.88,-7.39,;4.28,-8.88,;2.4,-6.99,;1.31,-8.08,;2,-5.5,;-.18,2.09,;-1.08,3.34,;-2.55,2.86,;1.36,2.09,;2.13,.76,;2.13,3.43,;3.67,3.43,;4.58,2.18,;6.04,2.66,;6.04,4.2,;4.58,4.67,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(=O)NS(=O)(=O)c2cccnc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)C2CC2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2ccccc2C#N)cc(C)c1Cl
COC(=O)c1cccc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)n[nH]c2C)c1 |(-10.24,1.12,;-8.7,1.12,;-7.93,-.22,;-8.7,-1.55,;-6.39,-.22,;-5.62,-1.55,;-4.08,-1.55,;-3.31,-.22,;-4.08,1.12,;-3.31,2.45,;-1.77,2.45,;-1,3.79,;-1.77,5.12,;.54,3.79,;1.45,5.03,;2.91,4.56,;4.25,5.33,;5.58,4.56,;5.58,3.02,;4.25,2.25,;2.91,3.02,;1.45,2.54,;.97,1.07,;2,-.07,;1.53,-1.53,;2.56,-2.68,;2.08,-4.14,;.58,-4.46,;.1,-5.93,;-1.41,-6.25,;1.13,-7.07,;.66,-8.54,;2.64,-6.75,;3.67,-7.9,;3.11,-5.29,;4.25,6.87,;3,7.77,;1.54,7.29,;3.48,9.23,;5.02,9.23,;5.49,7.77,;6.96,7.29,;-5.62,1.12,)|
COC(=O)c1cccc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)c1 |(8.53,2.78,;6.99,2.78,;6.22,1.45,;6.99,.12,;4.68,1.45,;3.91,.12,;2.37,.12,;1.6,1.45,;2.37,2.78,;1.6,4.12,;.06,4.12,;-.71,2.78,;.06,1.45,;-2.25,2.78,;-3.15,4.03,;-4.62,3.55,;-5.95,4.32,;-7.29,3.55,;-7.29,2.01,;-5.95,1.24,;-4.62,2.01,;-3.15,1.54,;-2.76,.05,;-3.84,-1.04,;-3.45,-2.53,;-4.53,-3.62,;-4.14,-5.1,;-5.22,-6.19,;-4.83,-7.68,;-5.92,-8.77,;-3.34,-8.08,;-2.94,-9.57,;-2.25,-6.99,;-.76,-7.39,;-2.65,-5.5,;-5.95,5.86,;-4.71,6.77,;-3.37,6,;-5.18,8.23,;-6.72,8.23,;-7.49,9.57,;-7.2,6.77,;-8.53,6,;3.91,2.78,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCS(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCS(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc(C)c1Cl |TLB:35:30:37:36.34.33,35:34:31.30.29:37,THB:36:34:31:29.37.28,36:28:31:35.34.33,26:28:31:35.34.33|
CCOC(=O)c1ccc(CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3cccc(-c4c(C)nn(C)c4C)c3n2C)o1 |(-5.87,11.61,;-4.62,10.71,;-4.78,9.18,;-3.53,8.27,;-2.13,8.9,;-3.7,6.74,;-5.03,5.97,;-4.71,4.46,;-3.18,4.3,;-2.41,2.97,;-3.18,1.64,;-2.41,.3,;-3.18,-1.03,;-.87,.3,;.04,-.94,;-.44,-2.41,;.59,-3.55,;.12,-5.02,;1.15,-6.16,;.67,-7.63,;-.84,-7.95,;-1.31,-9.41,;-2.82,-9.73,;-.28,-10.56,;-.76,-12.02,;1.23,-10.24,;2.26,-11.38,;1.7,-8.77,;1.5,-.47,;2.84,-1.24,;4.17,-.47,;4.17,1.07,;2.84,1.84,;2.84,3.38,;1.59,4.29,;.13,3.81,;2.07,5.75,;3.61,5.75,;4.51,7,;4.08,4.29,;5.55,3.81,;1.5,1.07,;.04,1.55,;-.44,3.01,;-2.55,5.71,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(N2CCCCC2)c(c1)C(O)=O |(-2.6,4.03,;-3.94,4.8,;-4.41,6.27,;-5.95,6.27,;-6.72,7.6,;-6.43,4.8,;-7.76,4.03,;-5.18,3.9,;-5.18,2.36,;-6.52,1.59,;-6.52,.05,;-5.18,-.72,;-3.85,.05,;-2.38,-.43,;-1.99,-1.92,;-.5,-2.32,;-.1,-3.8,;1.39,-4.2,;1.79,-5.69,;3.27,-6.09,;3.67,-7.58,;5.16,-7.97,;2.58,-8.66,;2.98,-10.15,;1.1,-8.27,;.01,-9.35,;.7,-6.78,;-1.48,.82,;-2.38,2.06,;-3.85,1.59,;.06,.82,;.83,-.52,;.83,2.15,;2.37,2.15,;3.14,3.48,;2.37,4.82,;3.14,6.15,;4.68,6.15,;5.45,7.48,;6.99,7.48,;7.76,8.82,;6.99,10.15,;5.45,10.15,;4.68,8.82,;5.45,4.82,;4.68,3.48,;6.99,4.82,;7.76,6.15,;7.76,3.48,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(OC(F)(F)F)c1 |(-2.14,5.31,;-3.47,6.08,;-3.95,7.54,;-5.49,7.54,;-6.26,8.88,;-5.96,6.08,;-7.3,5.31,;-4.72,5.17,;-4.72,3.63,;-6.05,2.86,;-7.38,3.63,;-6.05,1.32,;-4.72,.55,;-3.38,1.32,;-1.92,.85,;-1.52,-.64,;-.03,-1.04,;.37,-2.53,;1.85,-2.93,;2.25,-4.41,;3.74,-4.81,;4.14,-6.3,;5.63,-6.7,;3.05,-7.39,;3.45,-8.88,;1.56,-6.99,;.47,-8.08,;1.16,-5.5,;-1.01,2.09,;.53,2.09,;1.3,.76,;1.54,3.25,;1.26,4.77,;-.09,5.5,;-1.51,4.89,;-1.92,3.34,;-3.38,2.86,;3.03,2.85,;3.43,1.37,;4.91,.97,;6,2.06,;5.64,3.58,;6.73,4.67,;8.22,4.27,;9.71,3.88,;7.82,2.79,;8.62,5.76,;4.12,3.94,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccnc(c1)N1CCc2ccccc2C1 |(-4.91,5.31,;-6.25,6.08,;-6.72,7.54,;-8.26,7.54,;-9.03,8.88,;-8.74,6.08,;-10.07,5.31,;-7.49,5.17,;-7.49,3.63,;-8.83,2.86,;-8.83,1.32,;-7.49,.55,;-6.16,1.32,;-4.69,.85,;-4.3,-.64,;-2.81,-1.04,;-2.41,-2.53,;-.92,-2.93,;-.52,-4.41,;.96,-4.81,;1.36,-6.3,;2.85,-6.7,;.27,-7.39,;.67,-8.88,;-1.21,-6.99,;-2.3,-8.08,;-1.61,-5.5,;-3.79,2.09,;-4.69,3.34,;-6.16,2.86,;-2.25,2.09,;-1.48,.76,;-1.48,3.43,;.06,3.43,;.83,4.76,;.06,6.09,;.83,7.43,;2.37,7.43,;3.14,6.09,;2.37,4.76,;4.68,6.09,;5.45,7.43,;6.99,7.43,;7.76,6.09,;9.3,6.09,;10.07,4.76,;9.3,3.43,;7.76,3.43,;6.99,4.76,;5.45,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(CO)o1 |(-2.59,5.31,;-3.92,6.08,;-4.4,7.54,;-5.94,7.54,;-6.71,8.88,;-6.41,6.08,;-7.75,5.31,;-5.17,5.17,;-5.17,3.63,;-6.5,2.86,;-6.5,1.32,;-5.17,.55,;-3.83,1.32,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;3.29,-4.81,;3.69,-6.3,;5.17,-6.7,;2.6,-7.39,;3,-8.88,;1.11,-6.99,;.02,-8.08,;.71,-5.5,;-1.46,2.09,;-2.37,3.34,;-3.83,2.86,;.08,2.09,;.85,.76,;.85,3.43,;2.39,3.43,;3.16,4.76,;2.68,6.22,;3.93,7.13,;5.17,6.22,;6.66,6.62,;7.75,5.53,;4.7,4.76,)|
CCOC(=O)c1ccnc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)c1 |(-10.23,-3.73,;-9.46,-2.4,;-7.92,-2.4,;-7.15,-1.06,;-7.92,.27,;-5.61,-1.06,;-4.84,-2.4,;-3.3,-2.4,;-2.53,-1.06,;-3.3,.27,;-2.53,1.61,;-.99,1.61,;-.22,2.94,;-.99,4.27,;1.32,2.94,;2.23,4.19,;3.69,3.71,;5.03,4.48,;6.36,3.71,;6.36,2.17,;5.03,1.4,;3.69,2.17,;2.23,1.69,;1.75,.23,;2.78,-.92,;2.31,-2.38,;3.34,-3.52,;2.86,-4.99,;1.35,-5.31,;.88,-6.77,;-.63,-7.09,;1.91,-7.92,;1.43,-9.38,;3.42,-7.6,;4.45,-8.74,;3.89,-6.13,;5.03,6.02,;3.78,6.92,;2.32,6.45,;4.26,8.39,;5.8,8.39,;6.7,9.64,;6.27,6.92,;7.74,6.45,;-4.84,.27,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCC(=O)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2cccnc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2cccc(c2)C#N)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2ccccc2[N+]([O-])=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc(C)c1Cl
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCCC(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |(-4.53,3.36,;-5.86,4.13,;-6.34,5.6,;-7.88,5.6,;-8.35,4.13,;-9.69,3.36,;-7.11,3.23,;-7.11,1.69,;-8.44,.92,;-8.44,-.62,;-7.11,-1.39,;-5.77,-.62,;-4.31,-1.1,;-3.91,-2.58,;-2.42,-2.98,;-2.02,-4.47,;-.54,-4.87,;-.14,-6.36,;1.35,-6.75,;1.75,-8.24,;3.24,-8.64,;.66,-9.33,;1.06,-10.82,;-.83,-8.93,;-1.92,-10.02,;-1.23,-7.45,;-3.4,.15,;-4.31,1.4,;-5.77,.92,;-1.86,.15,;-1.09,-1.18,;-1.09,1.48,;.45,1.48,;1.22,2.82,;2.76,2.82,;3.53,1.48,;3.53,4.15,;5.07,4.15,;5.07,2.61,;6.4,3.38,;5.84,5.48,;7.38,5.48,;8.15,6.82,;7.4,8.2,;5.84,8.15,;5.07,6.82,;8.17,9.53,;7.4,10.87,;9.71,9.53,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccc(cn2)S(N)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCc2ccc(o2)C(=O)NCc2ccccc2C(F)(F)F)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCc2ccc(o2)C(=O)NS(C)(=O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCc2ccc(o2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(CO)o1 |(-1.97,5.97,;-3.3,6.74,;-3.78,8.21,;-5.32,8.21,;-5.79,6.74,;-7.13,5.97,;-4.55,5.84,;-4.55,4.3,;-5.88,3.53,;-5.88,1.99,;-4.55,1.22,;-3.21,1.99,;-1.75,1.51,;-1.35,.03,;.14,-.37,;.54,-1.86,;2.02,-2.26,;2.42,-3.75,;3.91,-4.14,;4.31,-5.63,;5.8,-6.03,;3.22,-6.72,;3.62,-8.21,;1.73,-6.32,;.64,-7.41,;1.33,-4.84,;-.84,2.76,;-1.75,4.01,;-3.21,3.53,;.7,2.76,;1.47,1.43,;1.47,4.09,;3.01,4.09,;3.78,2.76,;3.3,1.29,;4.55,.39,;5.79,1.29,;7.13,.52,;7.13,-1.02,;5.32,2.76,)|
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(N5CCCC5)c(c4)C(O)=O)CCCn3c12 |(-3.36,5.13,;-4.7,5.9,;-5.17,7.37,;-6.71,7.37,;-7.48,8.7,;-7.19,5.9,;-8.52,5.13,;-5.94,5,;-5.94,3.46,;-7.28,2.69,;-7.28,1.15,;-5.94,.38,;-4.61,1.15,;-3.15,.67,;-2.75,-.82,;-1.26,-1.21,;-.86,-2.7,;.63,-3.1,;1.02,-4.59,;2.51,-4.99,;2.91,-6.47,;4.4,-6.87,;1.82,-7.56,;2.22,-9.05,;.33,-7.16,;-.75,-8.25,;-.06,-5.68,;-2.24,1.92,;-.7,1.92,;.07,.58,;.31,3.08,;1.8,2.68,;2.89,3.77,;4.37,3.37,;5.46,4.46,;5.07,5.95,;6.15,7.03,;7.62,6.56,;8.52,7.8,;7.62,9.05,;6.15,8.57,;3.58,6.34,;2.49,5.26,;3.18,7.83,;4.27,8.92,;1.69,8.23,;.04,4.59,;-1.32,5.32,;-2.74,4.72,;-3.15,3.16,;-4.61,2.69,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(cc(c4)C(O)=O)N4CCCC4)CCCn3c12 |(-3.82,5.2,;-5.16,5.97,;-5.63,7.43,;-7.17,7.43,;-7.94,8.77,;-7.65,5.97,;-8.98,5.2,;-6.4,5.06,;-6.4,3.52,;-7.74,2.75,;-7.74,1.21,;-6.4,.44,;-5.07,1.21,;-3.61,.74,;-3.21,-.75,;-1.72,-1.15,;-1.32,-2.64,;.17,-3.04,;.57,-4.52,;2.05,-4.92,;2.45,-6.41,;3.94,-6.81,;1.36,-7.5,;1.76,-8.99,;-.13,-7.1,;-1.21,-8.19,;-.52,-5.61,;-2.7,1.98,;-1.16,1.98,;-.39,.65,;-.15,3.14,;1.34,2.74,;2.43,3.83,;3.92,3.43,;5,4.52,;4.61,6.01,;3.12,6.41,;2.03,5.32,;2.72,7.9,;3.81,8.99,;1.23,8.3,;6.49,4.12,;6.97,2.66,;8.51,2.66,;8.98,4.12,;7.74,5.03,;-.42,4.66,;-1.78,5.39,;-3.2,4.78,;-3.61,3.23,;-5.07,2.75,)|
C[C@H]1NC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1C |r,wU:1.0,(1.89,6.24,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.17,.92,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,;-.41,4.75,;-.81,6.23,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCC(CC1)C(O)=O |(-1.3,5.31,;-2.64,6.08,;-3.11,7.54,;-4.65,7.54,;-5.42,8.88,;-5.13,6.08,;-6.46,5.31,;-3.88,5.17,;-3.88,3.63,;-5.22,2.86,;-5.22,1.32,;-3.88,.55,;-2.55,1.32,;-1.08,.85,;-.68,-.64,;.8,-1.04,;1.2,-2.53,;2.69,-2.93,;3.09,-4.41,;4.58,-4.81,;4.97,-6.3,;6.46,-6.7,;3.88,-7.39,;4.28,-8.88,;2.4,-6.99,;1.31,-8.08,;2,-5.5,;-.18,2.09,;-1.08,3.34,;-2.55,2.86,;1.36,2.09,;2.13,.76,;2.13,3.43,;3.69,3.43,;4.46,4.76,;3.72,6.14,;2.15,6.09,;1.38,4.76,;4.49,7.48,;3.72,8.81,;6.03,7.47,)|
Cc1nn(C)c(C)c1-c1cc(Cl)cc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1 |(7.88,-5.11,;6.42,-4.64,;5.94,-3.17,;4.4,-3.18,;3.49,-1.94,;3.93,-4.64,;2.46,-5.12,;5.17,-5.55,;5.18,-7.09,;3.85,-7.86,;3.85,-9.41,;2.52,-10.18,;5.19,-10.18,;6.52,-9.41,;7.99,-9.89,;8.47,-11.35,;9.98,-11.67,;10.45,-13.13,;11.96,-13.45,;12.44,-14.92,;13.94,-15.23,;14.42,-16.69,;15.92,-17,;13.38,-17.84,;13.86,-19.31,;11.88,-17.52,;10.85,-18.67,;11.4,-16.06,;8.9,-8.63,;10.46,-8.69,;11.07,-10.11,;11.48,-7.52,;11.19,-5.99,;9.82,-5.25,;8.4,-5.87,;7.99,-7.38,;6.52,-7.86,;12.97,-7.92,;14.04,-6.83,;15.53,-7.22,;16.62,-6.13,;16.22,-4.64,;18.1,-6.53,;15.93,-8.72,;17.31,-9.41,;17.07,-10.94,;15.54,-11.18,;14.85,-12.55,;14.84,-9.81,;13.35,-9.4,)|
Cc1nn(C)c(C)c1-c1cc(Cl)cc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)ccc12)C(O)=O |(27.32,-5.18,;25.86,-4.71,;25.38,-3.24,;23.83,-3.25,;22.93,-2.01,;23.36,-4.71,;21.9,-5.19,;24.61,-5.62,;24.62,-7.16,;23.29,-7.93,;23.29,-9.48,;21.96,-10.25,;24.62,-10.25,;25.96,-9.48,;27.43,-9.96,;27.91,-11.42,;29.42,-11.74,;29.89,-13.21,;31.4,-13.53,;31.87,-14.99,;33.37,-15.3,;33.85,-16.76,;35.36,-17.08,;32.82,-17.92,;33.3,-19.38,;31.32,-17.59,;30.28,-18.74,;30.84,-16.13,;28.34,-8.7,;29.9,-8.76,;30.51,-10.18,;30.92,-7.59,;30.63,-6.06,;29.26,-5.32,;27.84,-5.94,;27.43,-7.45,;25.96,-7.93,;32.41,-7.99,;33.48,-6.9,;34.97,-7.29,;35.37,-8.79,;34.28,-9.87,;34.35,-11.41,;35.64,-12.25,;32.92,-11.96,;31.95,-10.76,;32.79,-9.47,;36.05,-6.2,;35.65,-4.71,;37.54,-6.6,)|
Cc1nn(C)c(C)c1-c1cc(Cl)cc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O |(-2.55,5.31,;-3.88,6.08,;-4.36,7.54,;-5.9,7.54,;-6.67,8.88,;-6.38,6.08,;-7.71,5.31,;-5.13,5.17,;-5.13,3.63,;-6.46,2.86,;-6.46,1.32,;-7.8,.55,;-5.13,.55,;-3.8,1.32,;-2.33,.85,;-1.93,-.64,;-.45,-1.04,;-.05,-2.53,;1.44,-2.93,;1.84,-4.41,;3.33,-4.81,;3.72,-6.3,;5.21,-6.7,;2.64,-7.39,;3.03,-8.88,;1.15,-6.99,;.06,-8.08,;.75,-5.5,;-1.43,2.09,;.11,2.09,;.88,.76,;1.12,3.25,;.85,4.77,;-.51,5.5,;-1.92,4.89,;-2.33,3.34,;-3.8,2.86,;2.61,2.85,;2.93,1.35,;4.4,.87,;5.54,1.9,;5.26,3.44,;3.76,3.88,;6.41,4.48,;6.09,5.98,;7.87,4,)|
CN(Cc1ccc(o1)C(O)=O)C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3c(C)nn(C)c3C)c2n1C |(.08,4.76,;.85,3.43,;2.39,3.43,;3.16,4.76,;2.68,6.22,;3.93,7.13,;5.17,6.22,;4.7,4.76,;6.66,6.62,;7.75,5.53,;7.06,8.11,;.08,2.09,;.85,.76,;-1.46,2.09,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;3.29,-4.81,;3.69,-6.3,;5.17,-6.7,;2.6,-7.39,;3,-8.88,;1.11,-6.99,;.02,-8.08,;.71,-5.5,;-3.83,1.32,;-5.17,.55,;-6.5,1.32,;-6.5,2.86,;-5.17,3.63,;-5.17,5.17,;-3.92,6.08,;-2.59,5.31,;-4.4,7.54,;-5.94,7.54,;-6.71,8.88,;-6.41,6.08,;-7.75,5.31,;-3.83,2.86,;-2.37,3.34,;-1.6,4.67,)|
CN(Cc1cc(C(O)=O)c(C)o1)C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3c(C)nn(C)c3C)c2n1C |(.08,4.76,;.85,3.43,;2.39,3.43,;3.16,4.76,;4.7,4.76,;5.17,6.22,;6.66,6.62,;7.75,5.53,;7.06,8.11,;3.93,7.13,;3.93,8.67,;2.68,6.22,;.08,2.09,;.85,.76,;-1.46,2.09,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;3.29,-4.81,;3.69,-6.3,;5.17,-6.7,;2.6,-7.39,;3,-8.88,;1.11,-6.99,;.02,-8.08,;.71,-5.5,;-3.83,1.32,;-5.17,.55,;-6.5,1.32,;-6.5,2.86,;-5.17,3.63,;-5.17,5.17,;-3.92,6.08,;-2.59,5.31,;-4.4,7.54,;-5.94,7.54,;-6.71,8.88,;-6.41,6.08,;-7.75,5.31,;-3.83,2.86,;-2.37,3.34,;-1.6,4.67,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(CO)ccn1 |(-1.45,4.7,;-2.78,5.47,;-3.26,6.93,;-4.8,6.93,;-5.57,8.27,;-5.27,5.47,;-6.61,4.7,;-4.03,4.56,;-4.03,3.02,;-5.36,2.25,;-5.36,.71,;-4.03,-.06,;-2.69,.71,;-1.23,.24,;-.83,-1.25,;.66,-1.65,;1.06,-3.14,;2.54,-3.54,;2.94,-5.02,;4.43,-5.42,;4.83,-6.91,;6.32,-7.31,;3.74,-8,;4.14,-9.49,;2.25,-7.6,;1.16,-8.69,;1.85,-6.11,;-.32,1.48,;-1.23,2.73,;-2.69,2.25,;1.22,1.48,;1.99,.15,;1.99,2.82,;3.53,2.82,;4.3,4.15,;3.53,5.48,;4.3,6.82,;3.53,8.15,;4.3,9.49,;5.84,6.82,;6.61,5.48,;5.84,4.15,)|
COC(=O)CNC(=O)CNC(=O)c1[nH]c2c(cccc2c1CCCOc1cc(C)c(Cl)c(C)c1)-c1c(C)nn(C)c1C |(8.53,4.76,;6.99,4.76,;6.22,6.09,;6.99,7.43,;4.68,6.09,;3.91,4.76,;2.37,4.76,;1.6,6.09,;1.6,3.43,;.06,3.43,;-.71,2.09,;.06,.76,;-2.25,2.09,;-3.15,3.34,;-4.62,2.86,;-5.95,3.63,;-7.29,2.86,;-7.29,1.32,;-5.95,.55,;-4.62,1.32,;-3.15,.85,;-2.76,-.64,;-1.27,-1.04,;-.87,-2.53,;.62,-2.93,;1.02,-4.41,;2.5,-4.81,;2.9,-6.3,;4.39,-6.7,;1.81,-7.39,;2.21,-8.88,;.33,-6.99,;-.76,-8.08,;-.07,-5.5,;-5.95,5.17,;-4.71,6.08,;-3.37,5.31,;-5.18,7.54,;-6.72,7.54,;-7.49,8.88,;-7.2,6.08,;-8.53,5.31,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCCC(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NCc3cccc(c3)C(O)=O)n(C)c12 |(-2.47,6,;-3.8,6.77,;-4.28,8.23,;-5.82,8.23,;-6.59,9.57,;-6.3,6.77,;-7.63,6,;-5.05,5.86,;-5.05,4.32,;-6.38,3.55,;-6.38,2.01,;-5.05,1.24,;-3.72,2.01,;-2.25,1.54,;-1.85,.05,;-2.94,-1.04,;-2.54,-2.53,;-3.63,-3.62,;-3.23,-5.1,;-4.32,-6.19,;-3.93,-7.68,;-5.01,-8.77,;-2.44,-8.08,;-2.04,-9.57,;-1.35,-6.99,;.14,-7.39,;-1.75,-5.5,;-1.35,2.78,;.19,2.78,;.59,1.3,;1.28,3.87,;2.77,3.47,;3.17,1.99,;2.08,.9,;2.48,-.59,;3.96,-.99,;5.05,.1,;4.66,1.59,;6.54,-.3,;7.63,.79,;6.94,-1.79,;-2.25,4.03,;-1.48,5.36,;-3.72,3.55,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NCc2ccc(o2)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc(C)c1Cl
CC\N=C(\NCCCN(C)C)n1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(O)=O |(-.56,8.52,;-1.65,9.6,;-3.14,9.21,;-3.54,7.72,;-5.02,7.32,;-6.11,8.41,;-7.6,8.01,;-8.69,9.1,;-10.18,8.7,;-11.27,9.79,;-10.58,7.21,;-2.45,6.63,;-.91,6.63,;-.43,5.16,;.9,4.39,;-1.68,4.26,;-2.92,5.16,;-4.26,4.39,;-1.68,2.72,;-3.01,1.95,;-3.01,.41,;-1.68,-.36,;-.34,.41,;1.12,-.07,;1.52,-1.55,;3.01,-1.95,;3.41,-3.44,;4.89,-3.84,;5.29,-5.33,;6.78,-5.73,;7.18,-7.21,;8.67,-7.61,;6.09,-8.3,;6.49,-9.79,;4.6,-7.9,;3.51,-8.99,;4.2,-6.42,;2.03,1.18,;1.12,2.42,;-.34,1.95,;3.57,1.18,;4.34,-.15,;4.34,2.51,;5.88,2.51,;6.65,1.18,;5.88,-.15,;6.65,-1.49,;8.19,-1.49,;8.96,-.15,;8.19,1.18,;10.5,-.15,;11.27,1.18,;11.27,-1.49,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)n(Cc2ccccc2)c1 |(-2.68,5.31,;-4.01,6.08,;-4.49,7.54,;-6.03,7.54,;-6.8,8.88,;-6.5,6.08,;-7.84,5.31,;-5.26,5.17,;-5.26,3.63,;-6.59,2.86,;-6.59,1.32,;-5.26,.55,;-3.92,1.32,;-2.46,.85,;-2.06,-.64,;-.57,-1.04,;-.17,-2.53,;1.31,-2.93,;1.71,-4.41,;3.2,-4.81,;3.6,-6.3,;5.09,-6.7,;2.51,-7.39,;2.91,-8.88,;1.02,-6.99,;-.07,-8.08,;.62,-5.5,;-1.55,2.09,;-2.46,3.34,;-3.92,2.86,;-.01,2.09,;.76,.76,;.76,3.43,;2.3,3.43,;3.07,2.09,;4.61,2.09,;5.08,.63,;6.42,-.14,;6.42,-1.68,;7.75,.63,;3.84,-.28,;3.36,-1.74,;4.39,-2.89,;5.9,-2.57,;6.93,-3.71,;6.45,-5.18,;4.95,-5.5,;3.91,-4.35,;2.59,.63,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(N2CCCC2)c(c1)C(O)=O |(-2.6,4.18,;-3.94,4.95,;-4.41,6.41,;-5.95,6.41,;-6.72,7.75,;-6.43,4.95,;-7.76,4.18,;-5.18,4.05,;-5.18,2.51,;-6.52,1.74,;-6.52,.2,;-5.18,-.57,;-3.85,.2,;-2.38,-.28,;-1.99,-1.77,;-.5,-2.17,;-.1,-3.65,;1.39,-4.05,;1.79,-5.54,;3.27,-5.94,;3.67,-7.43,;5.16,-7.83,;2.58,-8.52,;2.98,-10,;1.1,-8.12,;.01,-9.21,;.7,-6.63,;-1.48,.97,;-2.38,2.21,;-3.85,1.74,;.06,.97,;.83,-.37,;.83,2.3,;2.37,2.3,;3.14,3.63,;2.37,4.97,;3.14,6.3,;4.68,6.3,;5.45,7.63,;6.99,7.63,;7.47,9.1,;6.22,10,;4.98,9.1,;5.45,4.97,;4.68,3.63,;6.99,4.97,;7.76,6.3,;7.76,3.63,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(C(O)=O)n(Cc5ccccc5)c4)CCCn3c12 |(-4.31,5.31,;-5.64,6.08,;-6.12,7.54,;-7.66,7.54,;-8.43,8.88,;-8.13,6.08,;-9.47,5.31,;-6.89,5.17,;-6.89,3.63,;-8.22,2.86,;-8.22,1.32,;-6.89,.55,;-5.55,1.32,;-4.09,.85,;-3.69,-.64,;-2.2,-1.04,;-1.8,-2.53,;-.32,-2.93,;.08,-4.41,;1.57,-4.81,;1.97,-6.3,;3.46,-6.7,;.88,-7.39,;1.28,-8.88,;-.61,-6.99,;-1.7,-8.08,;-1.01,-5.5,;-3.18,2.09,;-1.65,2.09,;-.88,.76,;-.63,3.25,;.86,2.85,;1.94,3.94,;1.94,5.48,;3.41,5.96,;3.81,7.45,;5.29,7.84,;2.72,8.53,;4.31,4.71,;5.8,5.11,;6.89,4.02,;6.49,2.53,;7.58,1.45,;9.07,1.84,;9.47,3.33,;8.38,4.42,;3.41,3.47,;-.91,4.77,;-2.26,5.5,;-3.68,4.89,;-4.09,3.34,;-5.55,2.86,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(C(O)=O)n(C)c4)CCCn3c12 |(-2.5,5.31,;-3.84,6.08,;-4.31,7.54,;-5.85,7.54,;-6.62,8.88,;-6.33,6.08,;-7.66,5.31,;-5.08,5.17,;-5.08,3.63,;-6.41,2.86,;-6.41,1.32,;-5.08,.55,;-3.75,1.32,;-2.28,.85,;-1.88,-.64,;-.4,-1.04,;0,-2.53,;1.49,-2.93,;1.89,-4.41,;3.38,-4.81,;3.77,-6.3,;5.26,-6.7,;2.69,-7.39,;3.08,-8.88,;1.2,-6.99,;.11,-8.08,;.8,-5.5,;-1.38,2.09,;.16,2.09,;.93,.76,;1.17,3.25,;2.66,2.85,;3.75,3.94,;3.75,5.48,;5.22,5.96,;5.61,7.45,;7.1,7.84,;4.52,8.53,;6.12,4.71,;7.66,4.71,;5.22,3.47,;.9,4.77,;-.46,5.5,;-1.87,4.89,;-2.28,3.34,;-3.75,2.86,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(N5CCCCC5)c(c4)C(O)=O)CCCn3c12 |(-3.47,4.85,;-4.8,5.62,;-5.28,7.09,;-6.82,7.09,;-7.59,8.42,;-7.29,5.62,;-8.63,4.85,;-6.05,4.72,;-6.05,3.18,;-7.38,2.41,;-7.38,.87,;-6.05,.1,;-4.71,.87,;-3.25,.39,;-2.85,-1.1,;-1.36,-1.49,;-.96,-2.98,;.52,-3.38,;.92,-4.87,;2.41,-5.27,;2.81,-6.75,;4.3,-7.15,;1.72,-7.84,;2.12,-9.33,;.23,-7.44,;-.86,-8.53,;-.17,-5.96,;-2.34,1.64,;-.81,1.64,;-.04,.3,;.21,2.8,;1.69,2.4,;2.78,3.49,;4.27,3.09,;5.36,4.18,;4.96,5.67,;6.05,6.75,;7.54,6.36,;8.63,7.44,;8.23,8.93,;6.74,9.33,;5.65,8.24,;3.47,6.06,;2.39,4.98,;3.08,7.55,;4.16,8.64,;1.59,7.95,;-.07,4.31,;-1.42,5.04,;-2.84,4.44,;-3.25,2.88,;-4.71,2.41,)|
C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1 |r,wD:1.0,(1.89,6.24,;1.12,4.91,;-.41,4.75,;-1.04,3.34,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;1.4,2.25,;2.49,1.16,;2.02,3.66,)|
C[C@H]1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-.81,6.23,;-.41,4.75,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.49,1.16,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)|
C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1ccc(C(O)=O)c2ncccc12 |r,wU:1.0,(.66,6.24,;-.11,4.91,;-1.64,4.75,;-2.04,6.23,;-2.26,3.34,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;.17,2.25,;.94,.92,;.8,3.66,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.42,3.66,;6.96,3.66,;7.73,2.33,;7.73,4.99,;4.65,4.99,;5.42,6.33,;4.65,7.66,;3.11,7.66,;2.34,6.33,;3.11,4.99,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(=O)Nc1cncc(c1)C(O)=O |(-2.22,4.56,;-3.55,5.33,;-4.03,6.8,;-5.57,6.8,;-6.34,8.13,;-6.04,5.33,;-7.38,4.56,;-4.8,4.43,;-4.8,2.89,;-6.13,2.12,;-6.13,.58,;-4.8,-.19,;-3.46,.58,;-2,.1,;-1.6,-1.38,;-.11,-1.78,;.29,-3.27,;1.77,-3.67,;2.17,-5.16,;1.08,-6.25,;1.48,-7.73,;2.97,-8.13,;4.06,-7.04,;5.55,-7.44,;6.63,-6.35,;6.24,-4.87,;4.75,-4.47,;3.66,-5.56,;-1.09,1.35,;-2,2.59,;-3.46,2.12,;.45,1.35,;1.22,.01,;1.22,2.68,;2.76,2.68,;3.53,1.35,;5.07,1.35,;5.84,2.68,;5.09,4.06,;3.53,4.02,;5.86,5.4,;5.09,6.73,;7.4,5.4,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCc2c1cccc2C(O)=O |(-1.84,5.31,;-3.18,6.08,;-3.65,7.54,;-5.19,7.54,;-5.96,8.88,;-5.67,6.08,;-7,5.31,;-4.42,5.17,;-4.42,3.63,;-5.75,2.86,;-5.75,1.32,;-4.42,.55,;-3.09,1.32,;-1.62,.85,;-1.22,-.64,;.26,-1.04,;.66,-2.53,;2.15,-2.93,;2.55,-4.41,;4.04,-4.81,;4.43,-6.3,;5.92,-6.7,;3.35,-7.39,;3.74,-8.88,;1.86,-6.99,;.77,-8.08,;1.46,-5.5,;-.72,2.09,;-1.62,3.34,;-3.09,2.86,;.82,2.09,;1.59,.76,;1.59,3.43,;1.12,4.89,;2.36,5.8,;3.61,4.89,;3.13,3.43,;4.16,2.28,;5.67,2.6,;6.15,4.07,;5.11,5.21,;5.59,6.68,;4.56,7.82,;7.1,7,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCC(CC(O)=O)CC1 |(-1.46,5.31,;-2.79,6.08,;-3.27,7.54,;-4.81,7.54,;-5.58,8.88,;-5.28,6.08,;-6.61,5.31,;-4.04,5.17,;-4.04,3.63,;-5.37,2.86,;-5.37,1.32,;-4.04,.55,;-2.7,1.32,;-1.24,.85,;-.84,-.64,;.65,-1.04,;1.05,-2.53,;2.54,-2.93,;2.93,-4.41,;4.42,-4.81,;4.82,-6.3,;6.31,-6.7,;3.73,-7.39,;4.13,-8.88,;2.24,-6.99,;1.15,-8.08,;1.84,-5.5,;-.33,2.09,;-1.24,3.34,;-2.7,2.86,;1.21,2.09,;1.98,.76,;1.98,3.43,;3.53,3.43,;4.3,4.76,;3.53,6.09,;4.3,7.43,;5.84,7.43,;6.61,6.09,;6.61,8.76,;1.99,6.09,;1.22,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(Br)cc(OC=O)c4)CCCn3c12 |(-2.61,4.79,;-3.94,5.56,;-4.42,7.03,;-5.96,7.03,;-6.73,8.36,;-6.44,5.56,;-7.77,4.79,;-5.19,4.66,;-5.19,3.12,;-6.52,2.35,;-6.52,.81,;-5.19,.04,;-3.86,.81,;-2.39,.33,;-1.99,-1.16,;-.51,-1.56,;-.11,-3.04,;1.38,-3.44,;1.78,-4.93,;3.27,-5.33,;3.66,-6.82,;5.15,-7.21,;2.58,-7.91,;2.97,-9.39,;1.09,-7.51,;-0,-8.6,;.69,-6.02,;-1.49,1.58,;.05,1.58,;.82,.24,;1.06,2.74,;2.55,2.34,;3.7,3.37,;5.16,2.89,;6.31,3.92,;7.77,3.45,;5.99,5.43,;4.51,5.96,;4.19,7.46,;5.33,8.49,;6.8,8.02,;3.38,4.87,;.79,4.25,;-.57,4.98,;-1.98,4.38,;-2.39,2.82,;-3.86,2.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(C)cc(OC=O)c4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;5.21,2.89,;6.35,3.92,;7.81,3.45,;6.03,5.43,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;3.42,4.87,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(c4)-c4ccc(OCc5ccccc5C(F)(F)F)cc4)CCCn3c12 |(-5.98,4.79,;-7.31,5.56,;-7.79,7.03,;-9.33,7.03,;-10.1,8.36,;-9.8,5.56,;-11.14,4.79,;-8.56,4.66,;-8.56,3.12,;-9.89,2.35,;-11.22,3.12,;-9.89,.81,;-8.56,.04,;-7.22,.81,;-5.76,.33,;-5.36,-1.16,;-3.87,-1.56,;-3.47,-3.04,;-1.99,-3.44,;-1.59,-4.93,;-.1,-5.33,;.3,-6.82,;1.79,-7.21,;-.79,-7.91,;-.39,-9.39,;-2.28,-7.51,;-3.37,-8.6,;-2.68,-6.02,;-4.85,1.58,;-3.31,1.58,;-2.54,.24,;-2.3,2.74,;-.81,2.34,;.33,3.37,;.01,4.87,;1.14,5.96,;.82,7.46,;-.64,7.94,;-.96,9.45,;2.62,5.43,;2.94,3.92,;1.8,2.89,;4.4,3.45,;4.72,1.94,;6.19,1.46,;7.33,2.49,;8.8,2.02,;9.12,.51,;7.97,-.52,;6.51,-.04,;5.37,-1.07,;5.69,-2.58,;7.15,-3.06,;8.35,-2.04,;9.81,-2.52,;11.28,-2.99,;10.29,-1.05,;9.34,-3.98,;7.01,4,;5.55,4.48,;-2.58,4.25,;-3.93,4.98,;-5.35,4.38,;-5.76,2.82,;-7.22,2.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(COc5ccccc5C(F)(F)F)cc(OC=O)c4)CCCn3c12 |(-4.92,4.79,;-6.26,5.56,;-6.73,7.03,;-8.27,7.03,;-9.04,8.36,;-8.75,5.56,;-10.08,4.79,;-7.5,4.66,;-7.5,3.12,;-8.84,2.35,;-10.17,3.12,;-8.84,.81,;-7.5,.04,;-6.17,.81,;-4.71,.33,;-4.31,-1.16,;-2.82,-1.56,;-2.42,-3.04,;-.93,-3.44,;-.53,-4.93,;.95,-5.33,;1.35,-6.82,;2.84,-7.21,;.26,-7.91,;.66,-9.39,;-1.23,-7.51,;-2.31,-8.6,;-1.62,-6.02,;-3.8,1.58,;-2.26,1.58,;-1.49,.24,;-1.25,2.74,;.24,2.34,;1.38,3.37,;2.85,2.89,;3.99,3.92,;5.46,3.45,;5.78,1.94,;7.24,1.46,;8.39,2.49,;9.85,2.02,;10.17,.51,;9.03,-.52,;7.56,-.04,;6.42,-1.07,;4.95,-.6,;6.74,-2.58,;5.27,-2.1,;3.67,5.43,;2.2,5.96,;1.88,7.46,;.41,7.94,;.09,9.45,;1.06,4.87,;-1.52,4.25,;-2.88,4.98,;-4.3,4.38,;-4.71,2.82,;-6.17,2.35,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCC[C@H]1OC=O |r,wD:33.36,37.42,(-1.3,5.31,;-2.64,6.08,;-3.11,7.54,;-4.65,7.54,;-5.42,8.88,;-5.13,6.08,;-6.46,5.31,;-3.88,5.17,;-3.88,3.63,;-5.22,2.86,;-5.22,1.32,;-3.88,.55,;-2.55,1.32,;-1.08,.85,;-.68,-.64,;.8,-1.04,;1.2,-2.53,;2.69,-2.93,;3.09,-4.41,;4.58,-4.81,;4.97,-6.3,;6.46,-6.7,;3.88,-7.39,;4.28,-8.88,;2.4,-6.99,;1.31,-8.08,;2,-5.5,;-.18,2.09,;-1.08,3.34,;-2.55,2.86,;1.36,2.09,;2.13,.76,;2.13,3.43,;3.67,3.43,;4.58,2.18,;6.04,2.66,;6.04,4.2,;4.59,4.77,;4.13,6.24,;5.18,7.37,;4.73,8.84,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(cc3)C(O)=O)n(Cc3ccncc3)c12 |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,;-1.95,1.4,;-1.8,2.78,;-1.18,4.27,;.36,4.27,;1.13,5.6,;.36,6.94,;-1.18,6.94,;-1.95,5.6,;-3.42,.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(cc3)C(O)=O)n(Cc3ccccc3)c12 |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,;-1.95,1.4,;-1.8,2.78,;-1.18,4.27,;.36,4.27,;1.13,5.6,;.36,6.94,;-1.18,6.94,;-1.95,5.6,;-3.42,.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(c1)C#N |(-1.32,5.31,;-2.66,6.08,;-3.13,7.54,;-4.67,7.54,;-5.44,8.88,;-5.15,6.08,;-6.48,5.31,;-3.9,5.17,;-3.9,3.63,;-5.24,2.86,;-6.57,3.63,;-5.24,1.32,;-3.9,.55,;-2.57,1.32,;-1.11,.85,;-.71,-.64,;.78,-1.04,;1.18,-2.53,;2.67,-2.93,;3.06,-4.41,;4.55,-4.81,;4.95,-6.3,;6.44,-6.7,;3.86,-7.39,;4.26,-8.88,;2.37,-6.99,;1.29,-8.08,;1.98,-5.5,;-.2,2.09,;-1.11,3.34,;-2.57,2.86,;1.34,2.09,;2.11,.76,;2.11,3.43,;3.6,3.03,;4.69,4.12,;6.17,3.72,;6.57,2.23,;5.5,1.09,;4,1.54,;5.9,-.4,;6.29,-1.89,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C#N |(-1.45,5.31,;-2.78,6.08,;-3.26,7.54,;-4.8,7.54,;-5.57,8.88,;-5.27,6.08,;-6.6,5.31,;-4.03,5.17,;-4.03,3.63,;-5.36,2.86,;-6.69,3.63,;-5.36,1.32,;-4.03,.55,;-2.69,1.32,;-1.23,.85,;-.83,-.64,;.66,-1.04,;1.06,-2.53,;2.55,-2.93,;2.94,-4.41,;4.43,-4.81,;4.83,-6.3,;6.32,-6.7,;3.74,-7.39,;4.14,-8.88,;2.25,-6.99,;1.16,-8.08,;1.85,-5.5,;-.32,2.09,;1.22,2.09,;1.99,.76,;2.23,3.25,;1.95,4.77,;.6,5.5,;-.82,4.89,;-1.23,3.34,;-2.69,2.86,;3.72,2.85,;4.81,3.94,;6.29,3.54,;6.69,2.06,;5.62,.91,;4.12,1.37,;6.02,-.57,;6.41,-2.06,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cc1)C#N |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;11.11,1.46,;12.34,1.47,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C#N |(-2.93,5.31,;-4.27,6.08,;-4.74,7.54,;-6.28,7.54,;-7.05,8.88,;-6.76,6.08,;-8.09,5.31,;-5.51,5.17,;-5.51,3.63,;-6.85,2.86,;-8.18,3.63,;-6.85,1.32,;-5.51,.55,;-4.18,1.32,;-2.71,.85,;-2.32,-.64,;-.83,-1.04,;-.43,-2.53,;1.06,-2.93,;1.46,-4.41,;2.94,-4.81,;3.34,-6.3,;4.83,-6.7,;2.25,-7.39,;2.65,-8.88,;.77,-6.99,;-.32,-8.08,;.37,-5.5,;-1.81,2.09,;-.27,2.09,;.5,.76,;.74,3.25,;.47,4.77,;-.89,5.5,;-2.3,4.89,;-2.71,3.34,;-4.18,2.86,;2.23,2.85,;2.63,1.37,;4.12,.97,;5.26,2.04,;4.81,3.54,;3.32,3.94,;6.75,1.64,;8.23,1.24,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCCC(O)=O |(-1.45,5.97,;-2.78,6.74,;-3.26,8.21,;-4.8,8.21,;-5.27,6.74,;-6.61,5.97,;-4.03,5.84,;-4.03,4.3,;-5.36,3.53,;-5.36,1.99,;-4.03,1.22,;-2.69,1.99,;-1.23,1.51,;-.83,.03,;.66,-.37,;1.06,-1.86,;2.54,-2.26,;2.94,-3.75,;4.43,-4.14,;4.83,-5.63,;6.32,-6.03,;3.74,-6.72,;4.14,-8.21,;2.25,-6.32,;1.16,-7.41,;1.85,-4.84,;-.32,2.76,;-1.23,4.01,;-2.69,3.53,;1.22,2.76,;1.99,1.43,;1.99,4.09,;3.53,4.09,;4.3,5.43,;5.84,5.43,;6.61,6.76,;6.61,4.09,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(O)=O |(-2.6,6.66,;-3.94,7.43,;-4.41,8.9,;-5.95,8.9,;-6.43,7.43,;-7.76,6.66,;-5.18,6.53,;-5.18,4.99,;-6.52,4.22,;-6.52,2.68,;-5.18,1.91,;-3.85,2.68,;-2.38,2.2,;-1.99,.72,;-3.07,-.37,;-2.68,-1.86,;-3.76,-2.95,;-3.37,-4.44,;-4.45,-5.53,;-4.06,-7.01,;-5.15,-8.1,;-2.57,-7.41,;-2.17,-8.9,;-1.48,-6.32,;.01,-6.72,;-1.88,-4.84,;-1.48,3.45,;-2.38,4.7,;-3.85,4.22,;.06,3.45,;.83,2.12,;.83,4.78,;2.37,4.78,;3.14,3.45,;2.37,2.12,;3.14,.78,;4.68,.78,;5.45,2.12,;4.68,3.45,;6.99,2.12,;7.76,3.45,;7.76,.78,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C#N |(2.17,8.13,;3.64,8.61,;4.11,10.07,;5.65,10.07,;6.13,8.61,;7.59,8.13,;4.88,7.7,;4.88,6.16,;6.22,5.39,;6.22,3.85,;4.88,3.08,;3.55,3.85,;2.08,3.38,;1.61,1.91,;2.64,.77,;2.16,-.7,;3.19,-1.84,;2.72,-3.3,;3.75,-4.45,;3.27,-5.91,;4.3,-7.06,;1.76,-6.23,;1.29,-7.7,;.73,-5.09,;-.77,-5.41,;1.21,-3.62,;1.18,4.62,;2.08,5.87,;3.55,5.39,;-.36,4.62,;-1.13,5.96,;-1.13,3.29,;-2.67,3.29,;-3.44,1.96,;-2.67,.62,;-3.44,-.71,;-4.98,-.71,;-5.75,.62,;-4.98,1.96,;-7.29,.62,;-8.06,1.96,;-8.06,-.71,;-9.6,-.71,;-9.6,.83,;-9.6,-2.25,;-11.14,-.71,;-11.91,-2.04,;-13.45,-2.04,;-14.22,-.71,;-13.45,.62,;-11.91,.62,;-11.14,1.96,;-10.37,3.29,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |(-1.39,2.04,;.07,2.51,;.55,3.98,;2.09,3.98,;2.56,2.51,;4.03,2.04,;1.32,1.61,;1.32,.07,;2.65,-.7,;2.65,-2.24,;1.32,-3.01,;-.02,-2.24,;-1.48,-2.72,;-1.96,-4.18,;-.93,-5.33,;-1.4,-6.79,;-.37,-7.94,;-.85,-9.4,;.18,-10.55,;-.29,-12.01,;.74,-13.16,;-1.8,-12.33,;-2.28,-13.8,;-2.83,-11.19,;-4.34,-11.51,;-2.35,-9.72,;-2.39,-1.47,;-1.48,-.23,;-.02,-.7,;-3.93,-1.47,;-4.7,-2.81,;-4.7,-.14,;-3.93,1.19,;-4.7,2.53,;-6.24,2.53,;-7.01,3.86,;-6.24,5.2,;-4.7,5.2,;-3.93,3.86,;-3.93,6.53,;-2.39,6.53,;-4.7,7.86,;-3.93,9.2,;-2.59,8.43,;-5.26,9.97,;-3.16,10.53,;-3.93,11.86,;-3.16,13.2,;-1.62,13.2,;-.85,11.86,;-1.62,10.53,;-.85,14.53,;.69,14.53,;-1.62,15.86,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(O)=O |(28.14,-23.53,;26.67,-23.06,;26.19,-21.6,;24.65,-21.6,;23.74,-20.36,;24.18,-23.07,;22.72,-23.55,;25.43,-23.97,;25.44,-25.52,;24.11,-26.29,;24.11,-27.83,;25.44,-28.6,;26.77,-27.83,;28.25,-28.31,;28.72,-29.78,;30.23,-30.1,;30.71,-31.56,;32.21,-31.88,;32.69,-33.34,;34.19,-33.66,;34.67,-35.12,;36.18,-35.43,;33.64,-36.27,;34.12,-37.73,;32.13,-35.95,;31.1,-37.09,;31.66,-34.49,;29.16,-27.06,;28.25,-25.8,;26.77,-26.28,;30.7,-27.06,;31.47,-28.39,;31.47,-25.72,;33.01,-25.72,;33.78,-24.39,;33,-23.06,;33.77,-21.73,;35.32,-21.73,;36.09,-23.06,;35.32,-24.39,;37.63,-23.06,;38.4,-21.73,;38.4,-24.39,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NS(=O)(=O)c1cccc(c1)C#N |(.91,6.78,;2.37,7.26,;2.85,8.72,;4.39,8.72,;5.29,9.97,;4.86,7.26,;6.33,6.78,;3.62,6.35,;3.62,4.81,;4.95,4.04,;4.95,2.5,;3.62,1.73,;2.28,2.5,;.82,2.02,;.34,.56,;1.37,-.58,;.9,-2.05,;1.93,-3.19,;1.45,-4.66,;2.48,-5.8,;2.01,-7.27,;3.04,-8.41,;.5,-7.59,;.02,-9.05,;-.53,-6.44,;-2.04,-6.76,;-.06,-4.98,;-.09,3.27,;.82,4.52,;2.28,4.04,;-1.63,3.27,;-2.4,4.6,;-2.4,1.94,;-3.94,1.94,;-4.71,.6,;-3.94,-.73,;-4.71,-2.06,;-6.25,-2.06,;-7.02,-.73,;-6.25,.6,;-8.56,-.73,;-9.33,-2.06,;-9.33,.6,;-10.87,.6,;-10.87,2.14,;-10.87,-.94,;-12.41,.6,;-13.18,-.73,;-14.72,-.73,;-15.49,.6,;-14.72,1.94,;-13.18,1.94,;-15.49,3.27,;-16.26,4.6,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12 |(-4.99,3.6,;-3.83,3.99,;-3.36,5.46,;-1.82,5.47,;-1.1,6.48,;-1.33,4.01,;-.16,3.63,;-2.57,3.12,;-2.56,1.58,;-3.8,.85,;-3.8,-.62,;-2.56,-1.35,;-1.26,-.62,;,-1.35,;0,-2.9,;1.34,-3.66,;1.34,-5.21,;2.68,-5.97,;2.68,-7.51,;4.01,-8.28,;4.01,-9.82,;5.08,-10.44,;2.68,-10.59,;2.68,-11.83,;1.35,-9.82,;.28,-10.44,;1.35,-8.28,;1.26,-.62,;2.54,-1.35,;2.54,-2.59,;3.84,-.62,;5.17,-1.39,;6.51,-.62,;7.84,-1.38,;9.17,-.61,;9.17,.93,;7.83,1.7,;6.5,.92,;7.83,3.24,;8.89,3.86,;6.76,3.85,;3.84,.85,;2.54,1.58,;1.26,.85,;-1.26,.85,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C
Cc1c(c(CN2CCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(O)=O |(-7.76,6,;-6.43,6.77,;-5.18,5.86,;-3.94,6.77,;-2.6,6,;-1.27,6.77,;.2,6.29,;1.1,7.54,;.2,8.78,;-1.27,8.31,;-4.41,8.23,;-5.95,8.23,;-6.72,9.57,;-5.18,4.32,;-6.52,3.55,;-6.52,2.01,;-5.18,1.24,;-3.85,2.01,;-2.38,1.54,;-1.99,.05,;-3.07,-1.04,;-2.68,-2.53,;-3.76,-3.62,;-3.37,-5.1,;-4.45,-6.19,;-4.06,-7.68,;-5.15,-8.77,;-2.57,-8.08,;-2.17,-9.57,;-1.48,-6.99,;.01,-7.39,;-1.88,-5.5,;-1.48,2.78,;-2.38,4.03,;-3.85,3.55,;.06,2.78,;.83,1.45,;.83,4.12,;2.37,4.12,;3.14,2.78,;2.37,1.45,;3.14,.12,;4.68,.12,;5.45,1.45,;4.68,2.78,;6.99,1.45,;7.76,2.78,;7.76,.12,)|
Cc1c(c(CN2CCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C#N |(7.07,7.29,;5.61,7.77,;4.36,6.86,;3.11,7.77,;1.65,7.29,;.51,8.32,;-1,8,;-1.77,9.34,;-.74,10.48,;.67,9.85,;3.59,9.23,;5.13,9.23,;6.04,10.48,;4.36,5.32,;5.69,4.55,;5.69,3.01,;4.36,2.24,;3.03,3.01,;1.56,2.54,;1.09,1.07,;2.12,-.07,;1.64,-1.54,;2.67,-2.68,;2.2,-4.15,;3.23,-5.29,;2.75,-6.75,;3.78,-7.9,;1.24,-7.07,;.77,-8.54,;.21,-5.93,;-1.29,-6.25,;.69,-4.47,;.66,3.78,;1.56,5.03,;3.03,4.55,;-.88,3.78,;-1.65,5.12,;-1.65,2.45,;-3.19,2.45,;-3.96,1.12,;-3.19,-.22,;-3.96,-1.55,;-5.5,-1.55,;-6.27,-.22,;-5.5,1.12,;-7.81,-.22,;-8.58,1.12,;-8.58,-1.55,;-10.12,-1.55,;-10.12,-.01,;-10.12,-3.09,;-11.66,-1.55,;-12.43,-2.88,;-13.97,-2.88,;-14.74,-1.55,;-13.97,-.22,;-12.43,-.22,;-11.66,1.12,;-10.89,2.45,)|
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)Nc2cccc(c2)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)Nc2ccc(cc2)C(O)=O)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cc1)C(O)=O |(46.76,-5.99,;45.3,-5.52,;44.82,-4.05,;43.28,-4.06,;42.37,-2.81,;42.81,-5.52,;41.34,-6,;44.06,-6.42,;44.06,-7.97,;42.74,-8.74,;41.4,-7.97,;42.73,-10.29,;44.07,-11.06,;45.4,-10.29,;46.88,-10.77,;47.35,-12.23,;48.86,-12.55,;49.33,-14.01,;50.84,-14.33,;51.32,-15.8,;52.82,-16.11,;53.3,-17.57,;54.81,-17.88,;52.27,-18.72,;52.74,-20.19,;50.76,-18.4,;49.73,-19.55,;50.28,-16.94,;47.79,-9.51,;46.88,-8.26,;45.4,-8.74,;49.33,-9.51,;50.1,-10.84,;50.1,-8.18,;51.64,-8.18,;52.4,-9.51,;53.94,-9.51,;54.71,-8.18,;53.93,-6.84,;52.4,-6.85,;56.25,-8.18,;57.02,-6.84,;57.02,-9.51,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(o1)C(O)=O |(-2.63,5.97,;-3.97,6.74,;-4.44,8.21,;-5.98,8.21,;-6.46,6.74,;-7.79,5.97,;-5.21,5.84,;-5.21,4.3,;-6.55,3.53,;-6.55,1.99,;-5.21,1.22,;-3.88,1.99,;-2.42,1.51,;-2.02,.03,;-.53,-.37,;-.13,-1.86,;1.36,-2.26,;1.76,-3.75,;3.24,-4.14,;3.64,-5.63,;5.13,-6.03,;2.55,-6.72,;2.95,-8.21,;1.07,-6.32,;-.02,-7.41,;.67,-4.84,;-1.51,2.76,;-2.42,4.01,;-3.88,3.53,;.03,2.76,;.8,1.43,;.8,4.09,;2.34,4.09,;3.11,2.76,;2.63,1.29,;3.88,.39,;5.13,1.29,;4.65,2.76,;6.46,.52,;6.46,-1.02,;7.79,1.29,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1c[nH]c(c1)C(O)=O |(-2.63,5.31,;-3.97,6.08,;-4.44,7.54,;-5.98,7.54,;-6.75,8.88,;-6.46,6.08,;-7.79,5.31,;-5.21,5.17,;-5.21,3.63,;-6.55,2.86,;-6.55,1.32,;-5.21,.55,;-3.88,1.32,;-2.42,.85,;-2.02,-.64,;-.53,-1.04,;-.13,-2.53,;1.36,-2.93,;1.76,-4.41,;3.24,-4.81,;3.64,-6.3,;5.13,-6.7,;2.55,-7.39,;2.95,-8.88,;1.07,-6.99,;-.02,-8.08,;.67,-5.5,;-1.51,2.09,;-2.42,3.34,;-3.88,2.86,;.03,2.09,;.8,.76,;.8,3.43,;2.34,3.43,;3.11,2.09,;2.63,.63,;3.88,-.28,;5.13,.63,;4.65,2.09,;6.46,-.14,;6.46,-1.68,;7.79,.63,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(c1)C(O)=O |(47.66,-24.65,;46.19,-24.17,;45.71,-22.71,;44.17,-22.72,;43.26,-21.47,;43.7,-24.18,;42.24,-24.66,;44.95,-25.08,;44.96,-26.63,;43.63,-27.4,;42.3,-26.63,;43.63,-28.95,;44.96,-29.72,;46.29,-28.95,;47.77,-29.42,;48.25,-30.89,;49.75,-31.21,;50.23,-32.67,;51.74,-32.99,;52.21,-34.46,;53.71,-34.77,;54.19,-36.23,;55.7,-36.54,;53.16,-37.38,;53.64,-38.85,;51.65,-37.06,;50.62,-38.21,;51.18,-35.6,;48.68,-28.17,;47.77,-26.91,;46.29,-27.39,;50.22,-28.17,;50.99,-29.5,;50.99,-26.83,;52.53,-26.83,;53.3,-25.5,;52.53,-24.18,;53.29,-22.84,;54.84,-22.84,;55.61,-24.17,;54.84,-25.51,;57.15,-24.17,;57.92,-22.84,;57.92,-25.51,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)n(C)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.59,4.13,;7.71,5.17,;7.53,6.7,;8.51,7.44,;6.39,7.18,;9.06,4.42,;10.18,4.94,;8.76,2.91,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(29.45,-25.81,;27.99,-25.34,;27.5,-23.88,;25.96,-23.88,;25.06,-22.64,;25.49,-25.35,;24.03,-25.83,;26.74,-26.25,;26.75,-27.8,;25.42,-28.57,;24.09,-27.8,;25.42,-30.11,;26.75,-30.88,;28.09,-30.11,;29.56,-30.59,;30.04,-32.05,;31.54,-32.37,;32.02,-33.84,;33.53,-34.16,;34,-35.62,;35.5,-35.94,;35.98,-37.39,;37.49,-37.71,;34.95,-38.55,;35.43,-40.01,;33.44,-38.23,;32.41,-39.37,;32.97,-36.76,;30.47,-29.33,;32.03,-29.4,;32.64,-30.81,;33.05,-28.22,;34.54,-28.62,;35.63,-27.53,;35.23,-26.05,;36.31,-24.96,;37.81,-25.36,;38.2,-26.85,;37.11,-27.94,;39.69,-27.25,;40.78,-26.17,;40.09,-28.74,;32.76,-26.69,;31.39,-25.95,;29.97,-26.58,;29.56,-28.08,;28.09,-28.56,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(cc1)C(O)=O |(9.46,-44.01,;7.99,-43.54,;7.51,-42.08,;5.97,-42.08,;5.06,-40.84,;5.5,-43.55,;4.03,-44.03,;6.75,-44.45,;6.75,-46,;5.43,-46.77,;5.42,-48.31,;6.76,-49.08,;8.09,-48.31,;9.57,-48.79,;10.04,-50.26,;11.55,-50.58,;12.03,-52.04,;13.53,-52.36,;14.01,-53.82,;15.51,-54.14,;15.99,-55.6,;17.5,-55.91,;14.96,-56.75,;15.44,-58.21,;13.45,-56.43,;12.42,-57.57,;12.97,-54.96,;10.48,-47.54,;9.57,-46.28,;8.09,-46.76,;12.02,-47.53,;12.79,-48.87,;12.79,-46.2,;14.33,-46.2,;15.1,-44.87,;16.63,-44.87,;17.4,-43.54,;16.63,-42.2,;15.09,-42.21,;14.32,-43.54,;17.4,-40.87,;16.63,-39.54,;18.94,-40.87,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCCn3c12 |(-2.92,5.31,;-4.26,6.08,;-4.73,7.54,;-6.27,7.54,;-7.04,8.88,;-6.75,6.08,;-8.08,5.31,;-5.5,5.17,;-5.5,3.63,;-6.84,2.86,;-6.84,1.32,;-5.5,.55,;-4.17,1.32,;-2.7,.85,;-2.31,-.64,;-.82,-1.04,;-.42,-2.53,;1.07,-2.93,;1.47,-4.41,;2.95,-4.81,;3.35,-6.3,;4.84,-6.7,;2.26,-7.39,;2.66,-8.88,;.78,-6.99,;-.31,-8.08,;.38,-5.5,;-1.8,2.09,;-.26,2.09,;.51,.76,;.75,3.25,;2.24,2.85,;3.33,3.94,;4.82,3.54,;5.9,4.63,;5.51,6.12,;4.02,6.52,;2.93,5.43,;6.6,7.21,;8.08,6.81,;6.2,8.7,;.48,4.77,;-.88,5.5,;-2.3,4.89,;-2.7,3.34,;-4.17,2.86,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)-c4nnn[nH]4)CCn3c12 |(-2.94,5.1,;-4.27,5.87,;-4.75,7.33,;-6.29,7.33,;-7.06,8.67,;-6.76,5.87,;-8.1,5.1,;-5.52,4.96,;-5.52,3.42,;-6.85,2.65,;-6.85,1.11,;-5.52,.34,;-4.18,1.11,;-2.72,.64,;-2.32,-.85,;-.83,-1.25,;-.43,-2.74,;1.05,-3.14,;1.45,-4.62,;2.94,-5.02,;3.34,-6.51,;4.83,-6.91,;2.25,-7.6,;2.65,-9.09,;.76,-7.2,;-.33,-8.29,;.36,-5.71,;-1.81,1.88,;-.28,2.04,;.81,.95,;.34,3.45,;1.83,3.85,;2.23,5.34,;1.14,6.43,;1.54,7.91,;3.03,8.31,;4.12,7.22,;3.72,5.73,;5.6,7.62,;6.85,6.72,;8.1,7.62,;7.62,9.09,;6.08,9.09,;-.56,4.7,;-2.09,4.54,;-2.72,3.13,;-4.18,2.65,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(cc(c4)[N+]([O-])=O)C(O)=O)CCCn3c12 |(-3.12,5.2,;-4.46,5.97,;-4.93,7.43,;-6.47,7.43,;-7.24,8.77,;-6.95,5.97,;-8.28,5.2,;-5.7,5.06,;-5.7,3.52,;-7.04,2.75,;-7.04,1.21,;-5.7,.44,;-4.37,1.21,;-2.9,.74,;-2.51,-.75,;-1.02,-1.15,;-.62,-2.64,;.87,-3.04,;1.27,-4.52,;2.75,-4.92,;3.15,-6.41,;4.64,-6.81,;2.06,-7.5,;2.46,-8.99,;.58,-7.1,;-.51,-8.19,;.18,-5.61,;-2,1.98,;-.46,1.98,;.31,.65,;.55,3.14,;2.04,2.74,;3.13,3.83,;2.73,5.32,;3.82,6.41,;5.31,6.01,;5.76,4.51,;4.62,3.43,;7.25,4.11,;7.65,2.62,;8.34,5.2,;3.42,7.9,;4.51,8.99,;1.93,8.3,;.28,4.66,;-1.08,5.39,;-2.49,4.78,;-2.9,3.23,;-4.37,2.75,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCCn3c12 |(70.5,-25.21,;69.03,-24.74,;68.55,-23.28,;67.01,-23.28,;66.11,-22.04,;66.54,-24.75,;65.08,-25.23,;67.79,-25.65,;67.8,-27.2,;66.47,-27.97,;65.14,-27.2,;66.47,-29.51,;67.8,-30.28,;69.14,-29.51,;70.61,-29.99,;71.09,-31.46,;72.59,-31.78,;73.07,-33.24,;74.58,-33.56,;75.05,-35.02,;76.55,-35.34,;77.03,-36.8,;78.54,-37.11,;76,-37.95,;76.48,-39.41,;74.49,-37.63,;73.46,-38.77,;74.02,-36.17,;71.52,-28.73,;73.08,-28.8,;73.69,-30.21,;74.1,-27.62,;75.58,-28.02,;76.68,-26.93,;78.16,-27.34,;79.25,-26.25,;78.86,-24.76,;77.36,-24.36,;76.28,-25.45,;79.95,-23.67,;79.55,-22.19,;81.43,-24.07,;73.81,-26.09,;72.44,-25.36,;71.02,-25.98,;70.61,-27.48,;69.14,-27.96,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)-c4nnn[nH]4)CCCn3c12 |(-3.36,5.13,;-4.7,5.9,;-5.17,7.37,;-6.71,7.37,;-7.48,8.7,;-7.19,5.9,;-8.52,5.13,;-5.94,5,;-5.94,3.46,;-7.28,2.69,;-7.28,1.15,;-5.94,.38,;-4.61,1.15,;-3.15,.67,;-2.75,-.82,;-1.26,-1.21,;-.86,-2.7,;.63,-3.1,;1.02,-4.59,;2.51,-4.99,;2.91,-6.47,;4.4,-6.87,;1.82,-7.56,;2.22,-9.05,;.33,-7.16,;-.75,-8.25,;-.06,-5.68,;-2.24,1.92,;-.7,1.92,;.07,.58,;.31,3.08,;1.8,2.68,;2.89,3.77,;4.37,3.37,;5.46,4.46,;5.07,5.95,;3.58,6.34,;2.49,5.26,;6.15,7.03,;7.62,6.56,;8.52,7.8,;7.62,9.05,;6.15,8.57,;.04,4.59,;-1.32,5.32,;-2.74,4.72,;-3.15,3.16,;-4.61,2.69,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccn1CC(O)=O |(-2.86,5.31,;-4.19,6.08,;-4.67,7.54,;-6.21,7.54,;-6.98,8.88,;-6.68,6.08,;-8.02,5.31,;-5.44,5.17,;-5.44,3.63,;-6.77,2.86,;-6.77,1.32,;-5.44,.55,;-4.1,1.32,;-2.64,.85,;-2.24,-.64,;-.75,-1.04,;-.35,-2.53,;1.13,-2.93,;1.53,-4.41,;3.02,-4.81,;3.42,-6.3,;4.91,-6.7,;2.33,-7.39,;2.73,-8.88,;.84,-6.99,;-.25,-8.08,;.44,-5.5,;-1.73,2.09,;-2.64,3.34,;-4.1,2.86,;-.19,2.09,;.58,.76,;.58,3.43,;2.12,3.43,;2.89,2.09,;1.98,.85,;2.89,-.4,;4.35,.08,;4.35,1.62,;5.44,2.71,;6.93,2.31,;8.02,3.4,;7.33,.82,)|
CN1CCN(CC1)c1cc(NC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)ccc1C(O)=O |(7.81,9.49,;7.04,8.15,;7.81,6.82,;7.04,5.48,;5.5,5.48,;4.73,6.82,;5.5,8.15,;4.73,4.15,;3.19,4.15,;2.42,2.82,;.88,2.82,;.11,1.48,;.88,.15,;-1.43,1.48,;-2.34,2.73,;-3.8,2.25,;-5.14,3.02,;-5.14,4.56,;-3.89,5.47,;-2.56,4.7,;-4.37,6.93,;-5.91,6.93,;-6.68,8.27,;-6.38,5.47,;-7.72,4.7,;-6.47,2.25,;-7.81,3.02,;-6.47,.71,;-5.14,-.06,;-3.8,.71,;-2.34,.24,;-1.94,-1.25,;-.45,-1.65,;-.06,-3.14,;1.43,-3.54,;1.83,-5.02,;3.32,-5.42,;3.72,-6.91,;5.2,-7.31,;2.63,-8,;3.03,-9.49,;1.14,-7.6,;.05,-8.69,;.74,-6.11,;3.19,1.48,;4.73,1.48,;5.55,2.82,;7.09,2.82,;7.86,1.48,;7.86,4.15,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(C(O)=O)c(c1)N1CCOCC1 |(-2.56,5.31,;-3.89,6.08,;-4.37,7.54,;-5.91,7.54,;-6.68,8.88,;-6.38,6.08,;-7.72,5.31,;-5.14,5.17,;-5.14,3.63,;-6.47,2.86,;-7.81,3.63,;-6.47,1.32,;-5.14,.55,;-3.8,1.32,;-2.34,.85,;-1.94,-.64,;-.45,-1.04,;-.06,-2.53,;1.43,-2.93,;1.83,-4.41,;3.32,-4.81,;3.72,-6.3,;5.2,-6.7,;2.63,-7.39,;3.03,-8.88,;1.14,-6.99,;.05,-8.08,;.74,-5.5,;-1.43,2.09,;-2.34,3.34,;-3.8,2.86,;.11,2.09,;.88,.76,;.88,3.43,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.55,3.43,;7.09,3.43,;7.86,2.09,;7.86,4.76,;4.73,4.76,;3.19,4.76,;5.5,6.09,;7.04,6.09,;7.81,7.43,;7.04,8.76,;5.5,8.76,;4.73,7.43,)|
CN(C)CCN(C)c1cc(NC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)ccc1C(O)=O |(7.81,6.82,;7.04,8.15,;7.81,9.49,;5.5,8.15,;4.73,6.82,;5.5,5.48,;7.04,5.48,;4.73,4.15,;3.19,4.15,;2.42,2.82,;.88,2.82,;.11,1.48,;.88,.15,;-1.43,1.48,;-2.34,2.73,;-3.8,2.25,;-5.14,3.02,;-5.14,4.56,;-3.89,5.47,;-2.56,4.7,;-4.37,6.93,;-5.91,6.93,;-6.68,8.27,;-6.38,5.47,;-7.72,4.7,;-6.47,2.25,;-7.81,3.02,;-6.47,.71,;-5.14,-.06,;-3.8,.71,;-2.34,.24,;-1.94,-1.25,;-.45,-1.65,;-.06,-3.14,;1.43,-3.54,;1.83,-5.02,;3.32,-5.42,;3.72,-6.91,;5.2,-7.31,;2.63,-8,;3.03,-9.49,;1.14,-7.6,;.05,-8.69,;.74,-6.11,;3.19,1.48,;4.73,1.48,;5.55,2.82,;7.09,2.82,;7.86,1.48,;7.86,4.15,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c(c1)C(F)(F)F |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;6.89,1.66,;7.98,2.75,;7.29,.17,;5.05,3.58,;3.52,3.94,;6.13,4.67,;7.22,5.76,;5.05,5.76,;7.22,3.58,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c(F)c1 |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;6.89,1.66,;7.98,2.75,;7.29,.17,;5.01,3.54,;6.09,4.63,;3.52,3.94,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1F)C(O)=O |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;5.01,3.54,;3.52,3.94,;3.12,5.43,;6.89,1.66,;7.98,2.75,;7.29,.17,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(C(O)=O)c1C |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;5.6,2.06,;5.21,3.54,;6.29,4.63,;7.78,4.23,;5.9,6.12,;3.72,3.94,;3.32,5.43,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1C)C(O)=O |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;5.01,3.54,;3.52,3.94,;3.12,5.43,;6.89,1.66,;7.98,2.75,;7.29,.17,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C)c(c1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;5.6,2.06,;7.09,1.66,;5.21,3.54,;3.72,3.94,;6.29,4.63,;7.78,4.23,;5.9,6.12,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c(C)c1 |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;6.89,1.66,;7.98,2.75,;7.29,.17,;5.01,3.54,;6.09,4.63,;3.52,3.94,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(ccc1C)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.21,3.54,;5.6,2.06,;4.51,.97,;3.03,1.37,;1.94,.28,;6.29,4.63,;7.78,4.23,;5.9,6.12,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cn4)C(O)=O)CCCn3c12 |(-2.88,5.31,;-4.21,6.08,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-5.46,5.17,;-5.46,3.63,;-6.79,2.86,;-8.13,3.63,;-6.79,1.32,;-5.46,.55,;-4.13,1.32,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-1.76,2.09,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.55,6.12,;4.06,6.52,;2.97,5.43,;6.64,7.21,;8.13,6.81,;6.24,8.7,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-4.13,2.86,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCCn3c12 |(9.86,-24.76,;8.39,-24.29,;7.91,-22.83,;6.37,-22.83,;5.46,-21.59,;5.9,-24.3,;4.44,-24.78,;7.15,-25.2,;7.16,-26.75,;5.83,-27.52,;4.5,-26.75,;5.83,-29.06,;7.16,-29.83,;8.5,-29.06,;9.97,-29.54,;10.45,-31,;11.95,-31.32,;12.43,-32.79,;13.94,-33.11,;14.41,-34.57,;15.91,-34.89,;16.39,-36.34,;17.9,-36.66,;15.36,-37.5,;15.84,-38.96,;13.85,-37.18,;12.82,-38.32,;13.38,-35.71,;10.88,-28.28,;12.44,-28.35,;13.05,-29.76,;13.46,-27.17,;14.94,-27.57,;16.03,-26.48,;15.79,-24.96,;17.16,-24.26,;18.25,-25.35,;17.55,-26.73,;19.77,-25.12,;20.33,-23.68,;20.74,-26.31,;13.17,-25.64,;11.8,-24.91,;10.38,-25.53,;9.97,-27.03,;8.49,-27.51,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccnc2c(cccc12)C(O)=O |(-3.08,5.31,;-4.41,6.08,;-4.89,7.54,;-6.43,7.54,;-7.2,8.88,;-6.9,6.08,;-8.24,5.31,;-5.66,5.17,;-5.66,3.63,;-6.99,2.86,;-8.33,3.63,;-6.99,1.32,;-5.66,.55,;-4.32,1.32,;-2.86,.85,;-2.46,-.64,;-.97,-1.04,;-.58,-2.53,;.91,-2.93,;1.31,-4.41,;2.8,-4.81,;3.2,-6.3,;4.68,-6.7,;2.11,-7.39,;2.51,-8.88,;.62,-6.99,;-.47,-8.08,;.22,-5.5,;-1.96,2.09,;-.42,2.09,;.35,.76,;.6,3.25,;.32,4.77,;-1.03,5.5,;-2.45,4.89,;-2.86,3.34,;-4.32,2.86,;2.08,2.85,;2.48,1.37,;3.97,.97,;5.06,2.06,;4.66,3.54,;5.75,4.63,;5.35,6.12,;3.86,6.52,;2.77,5.43,;3.17,3.94,;7.24,4.23,;7.64,2.75,;8.33,5.32,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccnc2c(cccc12)C(O)=O |(-3.12,5.31,;-4.46,6.08,;-4.93,7.54,;-6.47,7.54,;-7.24,8.88,;-6.95,6.08,;-8.28,5.31,;-5.7,5.17,;-5.7,3.63,;-7.04,2.86,;-7.04,1.32,;-5.7,.55,;-4.37,1.32,;-2.9,.85,;-2.51,-.64,;-1.02,-1.04,;-.62,-2.53,;.87,-2.93,;1.27,-4.41,;2.75,-4.81,;3.15,-6.3,;4.64,-6.7,;2.06,-7.39,;2.46,-8.88,;.58,-6.99,;-.51,-8.08,;.18,-5.5,;-2,2.09,;-.46,2.09,;.31,.76,;.55,3.25,;.28,4.77,;-1.08,5.5,;-2.49,4.89,;-2.9,3.34,;-4.37,2.86,;2.04,2.85,;2.44,1.37,;3.93,.97,;5.02,2.06,;4.62,3.54,;5.71,4.63,;5.31,6.12,;3.82,6.52,;2.73,5.43,;3.13,3.94,;7.19,4.23,;7.59,2.75,;8.28,5.32,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2n(C)ccc12 |(-2.71,5.31,;-4.04,6.08,;-4.52,7.54,;-6.06,7.54,;-6.83,8.88,;-6.54,6.08,;-7.87,5.31,;-5.29,5.17,;-5.29,3.63,;-6.62,2.86,;-7.96,3.63,;-6.62,1.32,;-5.29,.55,;-3.96,1.32,;-2.49,.85,;-2.09,-.64,;-.61,-1.04,;-.21,-2.53,;1.28,-2.93,;1.68,-4.41,;3.17,-4.81,;3.56,-6.3,;5.05,-6.7,;2.48,-7.39,;2.87,-8.88,;.99,-6.99,;-.1,-8.08,;.59,-5.5,;-1.59,2.09,;-.05,2.09,;.72,.76,;.96,3.25,;.69,4.77,;-.67,5.5,;-2.08,4.89,;-2.49,3.34,;-3.96,2.86,;2.45,2.85,;3.6,3.88,;5.06,3.41,;5.38,1.9,;6.87,1.5,;7.27,.02,;7.96,2.59,;4.24,.87,;4.24,-.67,;5.57,-1.44,;2.77,-1.14,;1.87,.1,;2.77,1.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2ncccc12 |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;6.89,1.66,;7.29,.17,;7.98,2.75,;5.01,3.54,;6.09,4.63,;5.7,6.12,;4.21,6.52,;3.12,5.43,;3.52,3.94,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2cccnc12 |(26.17,-23.93,;24.7,-23.46,;24.22,-22,;22.68,-22,;21.77,-20.76,;22.21,-23.47,;20.75,-23.95,;23.46,-24.37,;23.47,-25.91,;22.14,-26.69,;20.81,-25.92,;22.14,-28.23,;23.47,-29,;24.81,-28.23,;26.28,-28.71,;26.76,-30.17,;28.26,-30.49,;28.74,-31.96,;30.25,-32.28,;30.72,-33.74,;32.22,-34.05,;32.7,-35.51,;34.21,-35.83,;31.67,-36.67,;32.15,-38.13,;30.16,-36.35,;29.13,-37.49,;29.69,-34.88,;27.19,-27.45,;28.75,-27.51,;29.36,-28.93,;29.77,-26.34,;29.48,-24.81,;28.11,-24.07,;26.69,-24.69,;26.28,-26.2,;24.8,-26.68,;31.25,-26.74,;32.33,-25.65,;33.82,-26.04,;34.22,-27.54,;35.71,-27.94,;36.8,-26.85,;36.1,-29.43,;33.12,-28.62,;33.52,-30.1,;32.45,-31.18,;30.96,-30.79,;30.56,-29.31,;31.64,-28.22,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1 |r,wU:1.0,(1.89,6.24,;1.12,4.91,;-.41,4.75,;-1.04,3.34,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;1.4,2.25,;2.49,1.16,;2.02,3.66,)|
CC1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-.81,6.23,;-.41,4.75,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.49,1.16,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)|
C[C@@H]1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,6.23,;-.41,4.75,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.49,1.16,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)|
CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1 |(3.48,5.54,;2.14,4.77,;.79,5.5,;-.63,4.89,;-1.04,3.34,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;1.4,2.09,;2.17,.76,;2.42,3.25,)|
CC1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(.79,7.04,;.79,5.5,;2.14,4.77,;2.42,3.25,;1.4,2.09,;2.17,.76,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,;-.63,4.89,)|
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C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wU:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wU:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)|
CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |(1.85,5.54,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;2.97,5.43,;4.06,6.52,;5.59,6.16,;5.95,4.63,;4.86,3.54,;6.68,7.25,;6.28,8.74,;8.17,6.85,)|
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CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |(1.85,5.54,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,)|
CC1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-1.86,6.01,;-1.46,4.52,;.07,4.68,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.35,2.03,;1.12,.7,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;-2.08,3.12,)|
CC1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)|
CC1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)|
CC1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-1.75,6.01,;-1.35,4.52,;.18,4.68,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.46,2.03,;1.23,.7,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;-1.97,3.12,)|
CC1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.75,7.04,;-.75,5.5,;.6,4.77,;.88,3.25,;2.36,2.85,;3.45,3.94,;2.98,5.41,;4.22,6.31,;5.51,5.42,;4.99,3.94,;6.97,5.9,;7.29,7.4,;8.12,4.87,;-.14,2.09,;.63,.76,;-1.67,2.09,;-2.58,.85,;-2.18,-.64,;-.69,-1.04,;-.3,-2.53,;1.19,-2.93,;1.59,-4.41,;3.08,-4.81,;3.48,-6.3,;4.96,-6.7,;2.39,-7.39,;2.79,-8.88,;.9,-6.99,;-.19,-8.08,;.5,-5.5,;-4.04,1.32,;-5.38,.55,;-6.71,1.32,;-6.71,2.86,;-8.05,3.63,;-5.38,3.63,;-5.38,5.17,;-4.13,6.08,;-2.8,5.31,;-4.61,7.54,;-6.15,7.54,;-6.92,8.88,;-6.62,6.08,;-7.96,5.31,;-4.04,2.86,;-2.58,3.34,;-2.17,4.89,)|
CC1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.84,7.04,;-.84,5.5,;.52,4.77,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,;-.22,2.09,;.55,.76,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-2.66,3.34,;-2.25,4.89,)|
CC1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.84,7.04,;-.84,5.5,;.52,4.77,;.8,3.25,;2.28,2.85,;3.37,3.94,;2.97,5.43,;4.06,6.52,;5.59,6.16,;5.95,4.63,;4.86,3.54,;6.68,7.25,;6.28,8.74,;8.17,6.85,;-.22,2.09,;.55,.76,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-2.66,3.34,;-2.25,4.89,)|
CC1CN(Cc2cccc(OC=O)c2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(.25,6.53,;.25,4.99,;1.61,4.26,;1.88,2.74,;3.37,2.35,;4.46,3.43,;5.95,3.04,;7.04,4.12,;6.64,5.61,;5.14,6.06,;4.74,7.55,;5.83,8.64,;7.32,8.24,;4.06,4.92,;.87,1.58,;1.64,.25,;-.67,1.58,;-1.57,.34,;-1.17,-1.15,;.31,-1.55,;.71,-3.04,;2.2,-3.43,;2.6,-4.92,;4.09,-5.32,;4.48,-6.81,;5.97,-7.21,;3.4,-7.9,;3.79,-9.38,;1.91,-7.5,;.82,-8.59,;1.51,-6.01,;-3.04,.81,;-4.37,.04,;-5.7,.81,;-5.7,2.35,;-7.04,3.12,;-4.37,3.12,;-4.37,4.66,;-3.12,5.57,;-1.79,4.8,;-3.6,7.03,;-5.14,7.03,;-5.91,8.37,;-5.62,5.57,;-6.95,4.8,;-3.04,2.35,;-1.57,2.83,;-1.16,4.38,)|
C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wD:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)|
C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wD:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,)|
C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wD:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)|
C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wD:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCn3c12 |(-1.3,4.2,;-2.64,4.97,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-3.88,4.06,;-3.88,2.52,;-5.22,1.75,;-6.55,2.52,;-5.22,.21,;-3.88,-.56,;-2.55,.21,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-.18,.98,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-2.55,1.75,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12 |(-2.19,5.09,;-3.53,5.86,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-4.77,4.95,;-4.77,3.41,;-6.11,2.64,;-7.44,3.41,;-6.11,1.1,;-4.77,.33,;-3.44,1.1,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-1.07,1.87,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-3.44,2.64,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cn4)C(O)=O)CCn3c12 |(-1.3,4.2,;-2.64,4.97,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-3.88,4.06,;-3.88,2.52,;-5.22,1.75,;-6.55,2.52,;-5.22,.21,;-3.88,-.56,;-2.55,.21,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-.18,.98,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-2.55,1.75,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCn3c12 |(-2.3,5.08,;-3.64,5.85,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-4.88,4.95,;-4.88,3.41,;-6.22,2.64,;-7.55,3.41,;-6.22,1.1,;-4.88,.33,;-3.55,1.1,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-1.18,1.87,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-3.55,2.64,)|
C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-.86,5.12,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)|
C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wU:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.75,6.01,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)|
C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-.86,5.12,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,)|
C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wU:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-1.86,6.01,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)|
C[C@H]1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-1.86,6.01,;-1.46,4.52,;.07,4.68,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.35,2.03,;1.12,.7,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;-2.08,3.12,)|
C[C@H]1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)|
C[C@H]1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)|
C[C@H]1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-1.75,6.01,;-1.35,4.52,;.18,4.68,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.46,2.03,;1.23,.7,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;-1.97,3.12,)|
C[C@@H]1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.21,6.92,;-1.82,5.43,;-.28,5.59,;.62,4.35,;2.11,4.74,;3.2,3.66,;2.96,2.13,;4.33,1.44,;5.46,2.52,;4.72,3.9,;6.98,2.28,;7.95,3.47,;7.53,.84,;-.01,2.94,;.76,1.61,;-1.54,2.78,;-2.44,1.53,;-2.04,.04,;-3.16,-1.01,;-2.81,-2.51,;-3.93,-3.57,;-3.57,-5.07,;-4.7,-6.12,;-4.34,-7.62,;-5.46,-8.68,;-2.87,-8.06,;-2.51,-9.56,;-1.74,-7.01,;-.27,-7.45,;-2.1,-5.51,;-3.91,2.01,;-5.24,1.24,;-6.57,2.01,;-6.57,3.55,;-7.91,4.32,;-5.24,4.32,;-5.24,5.86,;-3.99,6.76,;-2.66,5.99,;-4.47,8.23,;-6.01,8.23,;-6.78,9.56,;-6.49,6.76,;-7.82,5.99,;-3.91,3.55,;-2.44,4.02,)|
C[C@@H]1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)|
C[C@@H]1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)|
C[C@@H]1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.75,6.01,;-1.35,4.52,;.18,4.68,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.46,2.03,;1.23,.7,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;-1.97,3.12,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1ccc(cc1)C(O)=O |r,wU:1.0,(.66,6.24,;-.11,4.91,;-1.64,4.75,;-2.26,3.34,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;.17,2.25,;.94,.92,;.8,3.66,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.47,3.66,;4.65,4.99,;3.11,4.99,;7.01,3.66,;7.78,2.33,;7.78,4.99,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1cccc(c1)C(O)=O |r,wU:1.0,(1.05,6.24,;.28,4.91,;-1.25,4.75,;-1.88,3.34,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;.56,2.25,;1.33,.92,;1.18,3.66,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.06,5.04,;3.49,4.99,;5.83,6.38,;5.06,7.71,;7.37,6.38,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1ccc(C(O)=O)c2ncccc12 |r,wU:1.0,(.66,6.24,;-.11,4.91,;-1.64,4.75,;-2.26,3.34,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;.17,2.25,;.94,.92,;.8,3.66,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.42,3.66,;6.96,3.66,;7.73,2.33,;7.73,4.99,;4.65,4.99,;5.42,6.33,;4.65,7.66,;3.11,7.66,;2.34,6.33,;3.11,4.99,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1cc(cc2n(C)ccc12)C(O)=O |r,wU:1.0,(1.05,6.24,;.28,4.91,;-1.25,4.75,;-1.88,3.34,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;.56,2.25,;1.33,.92,;1.18,3.66,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)|
C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1cc(C(O)=O)c2ccn(C)c2c1 |r,wU:1.0,(.99,6.24,;.22,4.91,;-1.32,4.75,;-1.94,3.34,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;.49,2.25,;1.26,.92,;1.12,3.66,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1ccc(C(O)=O)c2ncccc12 |(-2.48,5.31,;-3.82,6.08,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-5.06,5.17,;-5.06,3.63,;-6.4,2.86,;-7.73,3.63,;-6.4,1.32,;-5.06,.55,;-3.73,1.32,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-1.36,2.09,;.17,2.25,;.94,.92,;.8,3.66,;-.11,4.91,;-1.64,4.75,;-2.26,3.34,;-3.73,2.86,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.42,3.66,;6.96,3.66,;7.73,2.33,;7.73,4.99,;4.65,4.99,;5.42,6.33,;4.65,7.66,;3.11,7.66,;2.34,6.33,;3.11,4.99,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1 |(-2.16,5.31,;-3.49,6.08,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-4.74,5.17,;-4.74,3.63,;-6.07,2.86,;-7.41,3.63,;-6.07,1.32,;-4.74,.55,;-3.41,1.32,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-1.04,2.09,;.49,2.25,;1.26,.92,;1.12,3.66,;.22,4.91,;-1.32,4.75,;-1.94,3.34,;-3.41,2.86,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1cc(cc2n(C)ccc12)C(O)=O |(-2.1,5.31,;-3.43,6.08,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-4.68,5.17,;-4.68,3.63,;-6.01,2.86,;-7.34,3.63,;-6.01,1.32,;-4.68,.55,;-3.34,1.32,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-.97,2.09,;.56,2.25,;1.33,.92,;1.18,3.66,;.28,4.91,;-1.25,4.75,;-1.88,3.34,;-3.34,2.86,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)|
C[C@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc(c1)C(O)=O |r,wU:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,4.99,;5.03,4.99,;5.8,3.66,;5.06,2.28,;3.49,2.33,;5.83,.94,;5.06,-.39,;7.37,.95,)|
C[C@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(cc1)C(O)=O |r,wU:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.47,3.66,;4.65,4.99,;3.11,4.99,;7.01,3.66,;7.78,2.33,;7.78,4.99,)|
C[C@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wU:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)|
C[C@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(C(O)=O)c2ncccc12 |r,wU:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.42,3.66,;6.96,3.66,;7.73,2.33,;7.73,4.99,;4.65,4.99,;5.42,6.33,;4.65,7.66,;3.11,7.66,;2.34,6.33,;3.11,4.99,)|
C[C@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ccn(C)c2c1 |r,wU:1.0,(-1.71,6.23,;-1.32,4.75,;.22,4.91,;1.12,3.66,;.49,2.25,;1.26,.92,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;-1.94,3.34,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc(c1)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,4.99,;5.03,4.99,;5.8,3.66,;5.06,2.28,;3.49,2.33,;5.83,.94,;5.06,-.39,;7.37,.95,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(cc1)C(O)=O |r,wD:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.47,3.66,;4.65,4.99,;3.11,4.99,;7.01,3.66,;7.78,2.33,;7.78,4.99,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(C(O)=O)c2ncccc12 |r,wD:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.42,3.66,;6.96,3.66,;7.73,2.33,;7.73,4.99,;4.65,4.99,;5.42,6.33,;4.65,7.66,;3.11,7.66,;2.34,6.33,;3.11,4.99,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-1.71,6.23,;-1.32,4.75,;.22,4.91,;1.12,3.66,;.49,2.25,;1.26,.92,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;-1.94,3.34,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C(O)=O |(55.31,-43.87,;53.85,-43.4,;53.37,-41.94,;51.83,-41.94,;50.92,-40.7,;51.35,-43.41,;49.89,-43.89,;52.6,-44.31,;52.61,-45.86,;51.28,-46.63,;49.95,-45.86,;51.28,-48.17,;52.61,-48.94,;53.95,-48.17,;55.42,-48.65,;55.9,-50.11,;57.41,-50.43,;57.88,-51.9,;59.39,-52.22,;59.86,-53.68,;61.36,-54,;61.84,-55.45,;63.35,-55.77,;60.81,-56.61,;61.29,-58.07,;59.31,-56.29,;58.27,-57.43,;58.83,-54.82,;56.33,-47.39,;57.89,-47.46,;58.5,-48.87,;58.91,-46.28,;58.62,-44.75,;57.25,-44.01,;55.83,-44.64,;55.42,-46.14,;53.95,-46.62,;60.4,-46.68,;60.78,-48.17,;62.27,-48.57,;63.36,-47.48,;62.96,-45.98,;61.47,-45.59,;64.85,-47.88,;65.94,-46.79,;65.25,-49.37,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1ccc(cc1)C(O)=O |(-2.54,5.31,;-3.87,6.08,;-4.35,7.54,;-5.89,7.54,;-6.66,8.88,;-6.36,6.08,;-7.7,5.31,;-5.12,5.17,;-5.12,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.12,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.45,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.07,-8.08,;.76,-5.5,;-1.41,2.09,;.12,2.25,;.89,.92,;.74,3.66,;-.16,4.91,;-1.69,4.75,;-2.32,3.34,;-3.78,2.86,;2.23,4.06,;3.32,2.97,;4.81,3.37,;5.26,4.87,;4.12,5.94,;2.63,5.55,;6.75,5.27,;7.84,4.18,;7.15,6.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O |(-2.97,6.8,;-1.74,6.82,;-.84,8.07,;.63,7.6,;1.62,8.33,;.63,6.06,;1.63,5.34,;-.82,5.6,;-1.28,4.13,;-2.78,3.79,;-3.62,4.7,;-3.29,2.24,;-2.24,1.12,;-.72,1.5,;.52,.64,;.55,-.9,;1.9,-1.64,;1.93,-3.18,;3.28,-3.93,;3.31,-5.47,;4.65,-6.22,;4.68,-7.76,;5.76,-8.35,;3.36,-8.55,;3.38,-9.78,;2.01,-7.8,;.96,-8.44,;1.99,-6.26,;1.74,1.56,;3.17,1,;3.26,-.23,;4.51,1.78,;4.73,3.25,;3.69,4.39,;2.14,4.29,;1.28,2.98,;-.24,2.98,;5.78,.92,;7.14,1.66,;8.45,.86,;8.42,-.68,;7.07,-1.42,;5.76,-.62,;7.04,-2.96,;8.09,-3.6,;5.96,-3.55,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1cccc(c1)C(O)=O |(-1.65,5.31,;-2.98,6.08,;-3.46,7.54,;-5,7.54,;-5.77,8.88,;-5.47,6.08,;-6.81,5.31,;-4.23,5.17,;-4.23,3.63,;-5.56,2.86,;-6.89,3.63,;-5.56,1.32,;-4.23,.55,;-2.89,1.32,;-1.43,.85,;-1.03,-.64,;.46,-1.04,;.86,-2.53,;2.34,-2.93,;2.74,-4.41,;4.23,-4.81,;4.63,-6.3,;6.12,-6.7,;3.54,-7.39,;3.94,-8.88,;2.05,-6.99,;.96,-8.08,;1.65,-5.5,;-.52,2.09,;1.01,2.25,;1.78,.92,;1.63,3.66,;.73,4.91,;-.8,4.75,;-1.43,3.34,;-2.89,2.86,;3.12,4.06,;4.21,2.97,;5.7,3.37,;6.1,4.86,;5.02,6,;3.52,5.55,;5.42,7.49,;4.33,8.57,;6.91,7.88,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(o1)C(O)=O |(27.78,-5.7,;26.31,-5.23,;25.83,-3.76,;24.29,-3.77,;23.38,-2.53,;23.82,-5.24,;22.36,-5.72,;25.07,-6.14,;25.08,-7.68,;23.75,-8.45,;22.42,-7.68,;23.75,-10,;25.08,-10.77,;26.41,-10,;27.89,-10.48,;28.37,-11.94,;29.87,-12.26,;30.35,-13.73,;31.86,-14.05,;32.33,-15.51,;33.83,-15.82,;34.31,-17.28,;35.82,-17.6,;33.28,-18.44,;33.76,-19.9,;31.77,-18.12,;30.74,-19.26,;31.3,-16.65,;28.8,-9.22,;27.89,-7.97,;26.41,-8.45,;30.34,-9.22,;31.11,-10.56,;31.11,-7.89,;32.65,-7.89,;33.55,-6.65,;35.01,-7.12,;35.01,-8.66,;33.55,-9.14,;36.26,-9.57,;37.67,-8.94,;36.1,-11.1,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccnc(c1)C(O)=O |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;-1.95,3.34,;-3.42,2.86,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cncc(c1)C(O)=O |(51.14,-43.83,;49.68,-43.36,;49.2,-41.9,;47.66,-41.9,;46.75,-40.66,;47.19,-43.37,;45.72,-43.85,;48.43,-44.27,;48.44,-45.82,;47.11,-46.59,;45.78,-45.82,;47.11,-48.13,;48.45,-48.9,;49.78,-48.13,;51.25,-48.61,;51.73,-50.08,;53.24,-50.4,;53.71,-51.86,;55.22,-52.18,;55.7,-53.64,;57.2,-53.96,;57.68,-55.42,;59.18,-55.73,;56.65,-56.57,;57.12,-58.03,;55.14,-56.25,;54.11,-57.39,;54.66,-54.79,;52.17,-47.36,;51.25,-46.1,;49.78,-46.58,;53.71,-47.36,;54.48,-48.69,;54.48,-46.02,;56.02,-46.02,;56.78,-44.69,;58.31,-44.69,;59.09,-46.02,;58.32,-47.36,;56.78,-47.36,;59.09,-48.69,;60.63,-48.69,;58.32,-50.03,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(n1)C(O)=O |(72.11,-44.42,;70.64,-43.95,;70.16,-42.48,;68.62,-42.49,;67.71,-41.24,;68.15,-43.95,;66.69,-44.43,;69.4,-44.86,;69.41,-46.4,;68.08,-47.17,;66.74,-46.4,;68.07,-48.72,;69.41,-49.49,;70.74,-48.72,;72.22,-49.2,;72.69,-50.66,;74.2,-50.98,;74.68,-52.44,;76.18,-52.76,;76.66,-54.23,;78.16,-54.54,;78.64,-56,;80.15,-56.31,;77.61,-57.15,;78.09,-58.62,;76.1,-56.83,;75.07,-57.98,;75.62,-55.37,;73.13,-47.94,;72.22,-46.69,;70.74,-47.17,;74.67,-47.94,;75.44,-49.27,;75.44,-46.61,;76.98,-46.61,;77.74,-45.28,;79.27,-45.27,;80.05,-46.61,;79.28,-47.94,;77.74,-47.94,;80.05,-49.28,;81.59,-49.28,;79.28,-50.61,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cn1)C(O)=O |(67.83,-6.03,;66.36,-5.56,;65.88,-4.1,;64.34,-4.1,;63.43,-2.86,;63.87,-5.57,;62.41,-6.05,;65.12,-6.47,;65.13,-8.02,;63.8,-8.79,;62.46,-8.02,;63.8,-10.33,;65.13,-11.1,;66.46,-10.33,;67.94,-10.81,;68.41,-12.28,;69.92,-12.6,;70.4,-14.06,;71.9,-14.38,;72.38,-15.85,;73.88,-16.16,;74.36,-17.62,;75.87,-17.93,;73.33,-18.77,;73.81,-20.23,;71.82,-18.45,;70.79,-19.59,;71.35,-16.99,;68.85,-9.56,;67.94,-8.3,;66.46,-8.78,;70.39,-9.56,;71.16,-10.89,;71.16,-8.22,;72.7,-8.22,;73.46,-6.89,;75,-6.89,;75.77,-8.22,;75,-9.56,;73.46,-9.56,;77.31,-8.22,;78.08,-6.89,;78.09,-9.55,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(nc1)C(O)=O |(-2.56,5.31,;-3.89,6.08,;-4.37,7.54,;-5.91,7.54,;-6.68,8.88,;-6.38,6.08,;-7.72,5.31,;-5.14,5.17,;-5.14,3.63,;-6.47,2.86,;-7.81,3.63,;-6.47,1.32,;-5.14,.55,;-3.8,1.32,;-2.34,.85,;-1.94,-.64,;-.45,-1.04,;-.06,-2.53,;1.43,-2.93,;1.83,-4.41,;3.32,-4.81,;3.72,-6.3,;5.2,-6.7,;2.63,-7.39,;3.03,-8.88,;1.14,-6.99,;.05,-8.08,;.74,-5.5,;-1.43,2.09,;-2.34,3.34,;-3.8,2.86,;.11,2.09,;.88,.76,;.88,3.43,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.55,3.43,;4.73,4.76,;3.19,4.76,;7.09,3.43,;7.86,2.09,;7.86,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cncc(c1)C(O)=O |(-2.22,5.31,;-3.55,6.08,;-4.03,7.54,;-5.57,7.54,;-6.34,8.88,;-6.04,6.08,;-7.38,5.31,;-4.8,5.17,;-4.8,3.63,;-6.13,2.86,;-6.13,1.32,;-4.8,.55,;-3.46,1.32,;-2,.85,;-1.6,-.64,;-.11,-1.04,;.29,-2.53,;1.77,-2.93,;2.17,-4.41,;3.66,-4.81,;4.06,-6.3,;5.55,-6.7,;2.97,-7.39,;3.37,-8.88,;1.48,-6.99,;.39,-8.08,;1.08,-5.5,;-1.09,2.09,;-2,3.34,;-3.46,2.86,;.45,2.09,;1.22,.76,;1.22,3.43,;2.76,3.43,;3.53,2.09,;5.07,2.09,;5.84,3.43,;5.09,4.81,;3.53,4.76,;5.86,6.14,;5.09,7.48,;7.4,6.14,)|
CN(C(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1)c1cccc(c1)C(O)=O |(.49,4.76,;1.26,3.43,;.49,2.09,;1.26,.76,;-1.05,2.09,;-1.95,3.34,;-3.42,2.86,;-4.75,3.63,;-4.75,5.17,;-3.51,6.08,;-2.17,5.31,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)|
CN(C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1C)c1cccc(c1)C(O)=O |(.49,4.76,;1.26,3.43,;.49,2.09,;1.26,.76,;-1.05,2.09,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-3.42,1.32,;-4.75,.55,;-6.09,1.32,;-6.09,2.86,;-7.42,3.63,;-4.75,3.63,;-4.75,5.17,;-3.51,6.08,;-2.17,5.31,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-3.42,2.86,;-1.95,3.34,;-1.18,4.67,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,)|
Cc1nn(CCN2CCOCC2)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cc1)C(O)=O |(-.81,3.31,;-2.15,4.08,;-2.62,5.54,;-4.16,5.54,;-4.93,6.88,;-6.47,6.88,;-7.24,8.21,;-6.47,9.54,;-7.24,10.88,;-8.78,10.88,;-9.55,9.54,;-8.78,8.21,;-4.64,4.08,;-5.97,3.31,;-3.39,3.17,;-3.39,1.63,;-4.73,.86,;-6.06,1.63,;-4.73,-.68,;-3.39,-1.45,;-2.06,-.68,;-.59,-1.15,;-.19,-2.64,;1.29,-3.04,;1.69,-4.53,;3.18,-4.93,;3.58,-6.41,;5.06,-6.81,;5.46,-8.3,;6.95,-8.7,;4.37,-9.39,;4.77,-10.88,;2.89,-8.99,;1.8,-10.08,;2.49,-7.5,;.31,.09,;-.59,1.34,;-2.06,.86,;1.85,.09,;2.62,-1.24,;2.62,1.43,;4.16,1.43,;4.93,.09,;6.47,.09,;7.3,1.43,;6.47,2.76,;4.93,2.76,;8.84,1.43,;9.61,.09,;9.61,2.76,)|
Cc1nn(CCN2CCOCC2)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(c1)C(O)=O |(-.43,3.31,;-1.76,4.08,;-2.24,5.54,;-3.78,5.54,;-4.55,6.88,;-6.09,6.88,;-6.86,8.21,;-6.09,9.54,;-6.86,10.88,;-8.4,10.88,;-9.17,9.54,;-8.4,8.21,;-4.25,4.08,;-5.59,3.31,;-3.01,3.17,;-3.01,1.63,;-4.34,.86,;-5.67,1.63,;-4.34,-.68,;-3.01,-1.45,;-1.67,-.68,;-.21,-1.15,;.19,-2.64,;1.68,-3.04,;2.08,-4.53,;3.56,-4.93,;3.96,-6.41,;5.45,-6.81,;5.85,-8.3,;7.34,-8.7,;4.76,-9.39,;5.16,-10.88,;3.27,-8.99,;2.18,-10.08,;2.87,-7.5,;.7,.09,;-.21,1.34,;-1.67,.86,;2.24,.09,;3.01,-1.24,;3.01,1.43,;4.55,1.43,;5.32,.09,;6.86,.09,;7.63,1.43,;6.88,2.81,;5.32,2.76,;7.65,4.14,;9.19,4.14,;6.88,5.47,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCc2ccc(cc12)C(O)=O |(-2.42,5.31,;-3.75,6.08,;-4.23,7.54,;-5.77,7.54,;-6.54,8.88,;-6.25,6.08,;-7.58,5.31,;-5,5.17,;-5,3.63,;-6.33,2.86,;-7.67,3.63,;-6.33,1.32,;-5,.55,;-3.67,1.32,;-2.2,.85,;-1.8,-.64,;-.32,-1.04,;.08,-2.53,;1.57,-2.93,;1.97,-4.41,;3.46,-4.81,;3.86,-6.3,;5.34,-6.7,;2.77,-7.39,;3.17,-8.88,;1.28,-6.99,;.19,-8.08,;.88,-5.5,;-1.3,2.09,;-2.2,3.34,;-3.67,2.86,;.24,2.09,;1.01,.76,;1.01,3.43,;.54,4.89,;1.78,5.8,;3.03,4.89,;4.54,5.21,;5.57,4.07,;5.09,2.6,;3.58,2.28,;2.55,3.43,;6.12,1.46,;5.65,-.01,;7.63,1.78,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(=O)Nc1cccc(c1)C(O)=O |(-2.22,4.56,;-3.55,5.33,;-4.03,6.8,;-5.57,6.8,;-6.34,8.13,;-6.04,5.33,;-7.38,4.56,;-4.8,4.43,;-4.8,2.89,;-6.13,2.12,;-6.13,.58,;-4.8,-.19,;-3.46,.58,;-2,.1,;-1.6,-1.38,;-.11,-1.78,;.29,-3.27,;1.77,-3.67,;2.17,-5.16,;1.08,-6.25,;1.48,-7.73,;2.97,-8.13,;4.06,-7.04,;5.55,-7.44,;6.63,-6.35,;6.24,-4.87,;4.75,-4.47,;3.66,-5.56,;-1.09,1.35,;-2,2.59,;-3.46,2.12,;.45,1.35,;1.22,.01,;1.22,2.68,;2.76,2.68,;3.53,1.35,;5.07,1.35,;5.84,2.68,;5.09,4.06,;3.53,4.02,;5.86,5.4,;5.09,6.73,;7.4,5.4,)|
CN(C(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1c(C)nn(C)c1C)c1cccc(c1)C(O)=O |(.45,4.02,;1.22,2.68,;.45,1.35,;1.22,.01,;-1.09,1.35,;-2,2.59,;-3.46,2.12,;-4.8,2.89,;-6.13,2.12,;-6.13,.58,;-4.8,-.19,;-3.46,.58,;-2,.1,;-1.6,-1.38,;-.11,-1.78,;.29,-3.27,;1.77,-3.67,;2.17,-5.16,;1.08,-6.25,;1.48,-7.73,;2.97,-8.13,;4.06,-7.04,;5.55,-7.44,;6.63,-6.35,;6.24,-4.87,;4.75,-4.47,;3.66,-5.56,;-4.8,4.43,;-3.55,5.33,;-2.22,4.56,;-4.03,6.8,;-5.57,6.8,;-6.34,8.13,;-6.04,5.33,;-7.38,4.56,;2.76,2.68,;3.53,1.35,;5.07,1.35,;5.84,2.68,;5.09,4.06,;3.53,4.02,;5.86,5.4,;5.09,6.73,;7.4,5.4,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(c1)C(O)=O |(-2.22,5.31,;-3.55,6.08,;-4.03,7.54,;-5.57,7.54,;-6.34,8.88,;-6.04,6.08,;-7.38,5.31,;-4.8,5.17,;-4.8,3.63,;-6.13,2.86,;-6.13,1.32,;-4.8,.55,;-3.46,1.32,;-2,.85,;-1.6,-.64,;-.11,-1.04,;.29,-2.53,;1.77,-2.93,;2.17,-4.41,;3.66,-4.81,;4.06,-6.3,;5.55,-6.7,;2.97,-7.39,;3.37,-8.88,;1.48,-6.99,;.39,-8.08,;1.08,-5.5,;-1.09,2.09,;-2,3.34,;-3.46,2.86,;.45,2.09,;1.22,.76,;1.22,3.43,;2.76,3.43,;3.53,2.09,;5.07,2.09,;5.84,3.43,;5.09,4.81,;3.53,4.76,;5.86,6.14,;5.09,7.48,;7.4,6.14,)|
CN(C(=O)c1[nH]c2c(cccc2c1CCCOc1cc(C)c(Cl)c(C)c1)-c1c(C)nn(C)c1C)c1cccc(c1)C(O)=O |(.45,4.76,;1.22,3.43,;.45,2.09,;1.22,.76,;-1.09,2.09,;-2,3.34,;-3.46,2.86,;-4.8,3.63,;-6.13,2.86,;-6.13,1.32,;-4.8,.55,;-3.46,1.32,;-2,.85,;-1.6,-.64,;-.11,-1.04,;.29,-2.53,;1.77,-2.93,;2.17,-4.41,;3.66,-4.81,;4.06,-6.3,;5.55,-6.7,;2.97,-7.39,;3.37,-8.88,;1.48,-6.99,;.39,-8.08,;1.08,-5.5,;-4.8,5.17,;-3.55,6.08,;-2.22,5.31,;-4.03,7.54,;-5.57,7.54,;-6.34,8.88,;-6.04,6.08,;-7.38,5.31,;2.76,3.43,;3.53,2.09,;5.07,2.09,;5.84,3.43,;5.09,4.81,;3.53,4.76,;5.86,6.14,;5.09,7.48,;7.4,6.14,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1cncc(c1)C(O)=O |(-1.65,5.31,;-2.98,6.08,;-3.46,7.54,;-5,7.54,;-5.77,8.88,;-5.47,6.08,;-6.81,5.31,;-4.23,5.17,;-4.23,3.63,;-5.56,2.86,;-6.89,3.63,;-5.56,1.32,;-4.23,.55,;-2.89,1.32,;-1.43,.85,;-1.03,-.64,;.46,-1.04,;.86,-2.53,;2.34,-2.93,;2.74,-4.41,;4.23,-4.81,;4.63,-6.3,;6.12,-6.7,;3.54,-7.39,;3.94,-8.88,;2.05,-6.99,;.96,-8.08,;1.65,-5.5,;-.52,2.09,;1.01,2.25,;1.78,.92,;1.63,3.66,;.73,4.91,;-.8,4.75,;-1.43,3.34,;-2.89,2.86,;3.12,4.06,;4.21,2.97,;5.7,3.37,;6.1,4.86,;5.02,6,;3.52,5.55,;5.42,7.49,;4.33,8.57,;6.91,7.88,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cncc(c1)C(O)=O |(24.13,-44.36,;22.67,-43.89,;22.19,-42.43,;20.65,-42.43,;19.74,-41.19,;20.17,-43.9,;18.71,-44.38,;21.42,-44.8,;21.43,-46.35,;20.1,-47.12,;18.77,-46.35,;20.1,-48.66,;21.44,-49.43,;22.77,-48.66,;24.24,-49.14,;24.72,-50.61,;26.23,-50.93,;26.7,-52.39,;28.21,-52.71,;28.68,-54.17,;30.18,-54.49,;30.67,-55.95,;32.17,-56.26,;29.63,-57.1,;30.11,-58.56,;28.13,-56.78,;27.1,-57.92,;27.65,-55.32,;25.15,-47.88,;26.71,-47.95,;27.32,-49.36,;27.73,-46.77,;27.44,-45.24,;26.07,-44.51,;24.65,-45.13,;24.24,-46.63,;22.77,-47.11,;29.22,-47.17,;30.29,-46.08,;31.78,-46.48,;32.18,-47.97,;31.09,-49.06,;29.6,-48.66,;31.48,-50.55,;32.97,-50.95,;30.39,-51.63,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(ccn1)C(O)=O |(40.39,-44.88,;38.93,-44.41,;38.45,-42.95,;36.91,-42.95,;36,-41.71,;36.44,-44.42,;34.97,-44.9,;37.69,-45.32,;37.69,-46.87,;36.37,-47.64,;35.03,-46.87,;36.36,-49.18,;37.7,-49.95,;39.03,-49.18,;40.51,-49.66,;40.98,-51.13,;42.49,-51.45,;42.96,-52.91,;44.47,-53.23,;44.95,-54.69,;46.45,-55.01,;46.93,-56.47,;48.43,-56.78,;45.9,-57.62,;46.37,-59.08,;44.39,-57.3,;43.36,-58.44,;43.91,-55.83,;41.42,-48.4,;42.97,-48.47,;43.58,-49.88,;43.99,-47.29,;43.7,-45.76,;42.34,-45.03,;40.91,-45.65,;40.5,-47.15,;39.03,-47.63,;45.48,-47.69,;45.87,-49.18,;47.35,-49.58,;48.44,-48.49,;48.04,-47,;46.56,-46.6,;47.75,-51.07,;49.23,-51.47,;46.65,-52.15,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cn1)C(O)=O |(73.64,-43.71,;72.18,-43.24,;71.7,-41.77,;70.16,-41.78,;69.25,-40.54,;69.69,-43.24,;68.22,-43.72,;70.93,-44.15,;70.94,-45.69,;69.61,-46.46,;68.28,-45.69,;69.61,-48.01,;70.95,-48.78,;72.28,-48.01,;73.75,-48.49,;74.23,-49.95,;75.74,-50.27,;76.21,-51.74,;77.72,-52.05,;78.2,-53.52,;79.7,-53.83,;80.18,-55.29,;81.68,-55.61,;79.14,-56.44,;79.62,-57.91,;77.64,-56.12,;76.61,-57.27,;77.16,-54.66,;74.66,-47.23,;76.22,-47.29,;76.83,-48.71,;77.24,-46.12,;76.95,-44.59,;75.58,-43.85,;74.16,-44.47,;73.75,-45.98,;72.28,-46.46,;78.73,-46.52,;79.8,-45.43,;81.29,-45.82,;81.69,-47.32,;80.6,-48.4,;79.11,-48,;83.18,-47.72,;84.27,-46.63,;83.58,-49.2,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(CC(O)=O)cc1 |(-3.38,5.31,;-4.71,6.08,;-5.19,7.54,;-6.73,7.54,;-7.5,8.88,;-7.21,6.08,;-8.54,5.31,;-5.96,5.17,;-5.96,3.63,;-7.29,2.86,;-7.29,1.32,;-5.96,.55,;-4.63,1.32,;-3.16,.85,;-2.76,-.64,;-1.28,-1.04,;-.88,-2.53,;.61,-2.93,;1.01,-4.41,;2.5,-4.81,;2.89,-6.3,;4.38,-6.7,;1.81,-7.39,;2.2,-8.88,;.32,-6.99,;-.77,-8.08,;-.08,-5.5,;-2.26,2.09,;-3.16,3.34,;-4.63,2.86,;-.72,2.09,;.05,.76,;.05,3.43,;1.61,3.43,;2.38,2.09,;3.92,2.09,;4.69,3.43,;6.23,3.43,;7,2.09,;6.23,.76,;8.54,2.09,;3.92,4.76,;2.38,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(COC=O)c1 |(-1.46,5.31,;-2.79,6.08,;-3.27,7.54,;-4.81,7.54,;-5.58,8.88,;-5.28,6.08,;-6.61,5.31,;-4.04,5.17,;-4.04,3.63,;-5.37,2.86,;-5.37,1.32,;-4.04,.55,;-2.7,1.32,;-1.24,.85,;-.84,-.64,;.65,-1.04,;1.05,-2.53,;2.54,-2.93,;2.93,-4.41,;4.42,-4.81,;4.82,-6.3,;6.31,-6.7,;3.73,-7.39,;4.13,-8.88,;2.24,-6.99,;1.15,-8.08,;1.84,-5.5,;-.33,2.09,;-1.24,3.34,;-2.7,2.86,;1.21,2.09,;1.98,.76,;1.98,3.43,;3.53,3.43,;4.3,2.09,;5.84,2.09,;6.61,3.43,;5.84,4.76,;6.61,6.09,;5.84,7.43,;6.61,8.76,;8.15,8.76,;4.3,4.76,)|
CN1CCN(CC1)c1cc(NC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc(c1)C(O)=O |(7.81,-3.24,;7.04,-1.91,;5.5,-1.91,;4.73,-.57,;5.5,.76,;7.04,.76,;7.81,-.57,;4.73,2.09,;3.19,2.09,;2.42,3.43,;.87,3.43,;.1,2.09,;.87,.76,;-1.44,2.09,;-2.35,3.34,;-3.81,2.86,;-5.15,3.63,;-5.15,5.17,;-3.9,6.08,;-2.57,5.31,;-4.38,7.54,;-5.92,7.54,;-6.69,8.88,;-6.39,6.08,;-7.73,5.31,;-6.48,2.86,;-7.81,3.63,;-6.48,1.32,;-5.15,.55,;-3.81,1.32,;-2.35,.85,;-1.95,-.64,;-.46,-1.04,;-.06,-2.53,;1.42,-2.93,;1.82,-4.41,;3.31,-4.81,;3.71,-6.3,;5.2,-6.7,;2.62,-7.39,;3.02,-8.88,;1.13,-6.99,;.04,-8.08,;.73,-5.5,;3.19,4.76,;4.76,4.81,;5.5,3.43,;5.53,6.14,;7.07,6.14,;4.76,7.48,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(cc(c1)C(O)=O)N1CCOCC1 |(-2.57,5.31,;-3.9,6.08,;-4.38,7.54,;-5.92,7.54,;-6.69,8.88,;-6.39,6.08,;-7.73,5.31,;-5.15,5.17,;-5.15,3.63,;-6.48,2.86,;-7.81,3.63,;-6.48,1.32,;-5.15,.55,;-3.81,1.32,;-2.35,.85,;-1.95,-.64,;-.46,-1.04,;-.06,-2.53,;1.42,-2.93,;1.82,-4.41,;3.31,-4.81,;3.71,-6.3,;5.2,-6.7,;2.62,-7.39,;3.02,-8.88,;1.13,-6.99,;.04,-8.08,;.73,-5.5,;-1.44,2.09,;-2.35,3.34,;-3.81,2.86,;.1,2.09,;.87,.76,;.87,3.43,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.5,3.43,;4.76,4.81,;3.19,4.76,;5.53,6.14,;7.07,6.14,;4.76,7.48,;5.5,.76,;4.73,-.57,;5.5,-1.91,;7.04,-1.91,;7.81,-.57,;7.04,.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(NC2CCOCC2)cc(c1)C(O)=O |(-3.72,5.31,;-5.06,6.08,;-5.53,7.54,;-7.07,7.54,;-7.84,8.88,;-7.55,6.08,;-8.88,5.31,;-6.3,5.17,;-6.3,3.63,;-7.64,2.86,;-8.97,3.63,;-7.64,1.32,;-6.3,.55,;-4.97,1.32,;-3.5,.85,;-3.1,-.64,;-1.62,-1.04,;-1.22,-2.53,;.27,-2.93,;.67,-4.41,;2.16,-4.81,;2.55,-6.3,;4.04,-6.7,;1.46,-7.39,;1.86,-8.88,;-.02,-6.99,;-1.11,-8.08,;-.42,-5.5,;-2.6,2.09,;-3.5,3.34,;-4.97,2.86,;-1.06,2.09,;-.29,.76,;-.29,3.43,;1.27,3.43,;2.04,2.09,;3.58,2.09,;4.35,.76,;5.89,.76,;6.66,-.57,;8.2,-.57,;8.97,.76,;8.2,2.09,;6.66,2.09,;4.35,3.43,;3.61,4.81,;2.04,4.76,;4.38,6.14,;5.92,6.14,;3.61,7.48,)|
CN(C)CCN(C)c1cc(NC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc(c1)C(O)=O |(8.97,-1.91,;8.2,-.57,;8.97,.76,;6.66,-.57,;5.89,.76,;4.35,.76,;3.58,-.57,;3.58,2.09,;2.04,2.09,;1.27,3.43,;-.29,3.43,;-1.06,2.09,;-.29,.76,;-2.6,2.09,;-3.5,3.34,;-4.97,2.86,;-6.3,3.63,;-6.3,5.17,;-5.06,6.08,;-3.72,5.31,;-5.53,7.54,;-7.07,7.54,;-7.84,8.88,;-7.55,6.08,;-8.88,5.31,;-7.64,2.86,;-8.97,3.63,;-7.64,1.32,;-6.3,.55,;-4.97,1.32,;-3.5,.85,;-3.1,-.64,;-1.62,-1.04,;-1.22,-2.53,;.27,-2.93,;.67,-4.41,;2.16,-4.81,;2.55,-6.3,;4.04,-6.7,;1.46,-7.39,;1.86,-8.88,;-.02,-6.99,;-1.11,-8.08,;-.42,-5.5,;2.04,4.76,;3.61,4.81,;4.35,3.43,;4.38,6.14,;5.92,6.14,;3.61,7.48,)|
CN(C)CCN(C)c1cc(cc(c1)C(O)=O)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |(8.58,-1.72,;7.49,-2.8,;7.89,-4.29,;6,-2.41,;5.6,-.92,;4.12,-.52,;3.03,-1.61,;3.72,.97,;2.23,1.37,;1.83,2.85,;2.92,3.94,;4.45,3.58,;4.81,2.06,;5.54,4.67,;7.02,4.27,;5.14,6.16,;.34,3.25,;.07,4.77,;-1.29,5.5,;-2.7,4.89,;-3.11,3.34,;-2.21,2.09,;-3.11,.85,;-2.71,-.64,;-1.23,-1.04,;-.83,-2.53,;.66,-2.93,;1.06,-4.41,;2.55,-4.81,;2.94,-6.3,;4.43,-6.7,;1.85,-7.39,;2.25,-8.88,;.37,-6.99,;-.72,-8.08,;-.03,-5.5,;-4.58,1.32,;-5.91,.55,;-7.24,1.32,;-7.24,2.86,;-8.58,3.63,;-5.91,3.63,;-5.91,5.17,;-4.67,6.08,;-3.33,5.31,;-5.14,7.54,;-6.68,7.54,;-7.45,8.88,;-7.16,6.08,;-8.49,5.31,;-4.58,2.86,;-.67,2.09,;.1,.76,)|
CN(C(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1)c1ccc(cc1)C(O)=O |(.1,4.76,;.87,3.43,;.1,2.09,;.87,.76,;-1.44,2.09,;-2.35,3.34,;-3.81,2.86,;-5.15,3.63,;-5.15,5.17,;-3.9,6.08,;-2.57,5.31,;-4.38,7.54,;-5.92,7.54,;-6.69,8.88,;-6.39,6.08,;-7.73,5.31,;-6.48,2.86,;-7.81,3.63,;-6.48,1.32,;-5.15,.55,;-3.81,1.32,;-2.35,.85,;-1.95,-.64,;-.46,-1.04,;-.06,-2.53,;1.42,-2.93,;1.82,-4.41,;3.31,-4.81,;3.71,-6.3,;5.2,-6.7,;2.62,-7.39,;3.02,-8.88,;1.13,-6.99,;.04,-8.08,;.73,-5.5,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.56,3.43,;4.73,4.76,;3.19,4.76,;7.1,3.43,;7.87,2.09,;7.87,4.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1cc(cc(c1)C(O)=O)N1CCOCC1 |(-2.88,5.31,;-4.22,6.08,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-5.46,5.17,;-5.46,3.63,;-6.8,2.86,;-8.13,3.63,;-6.8,1.32,;-5.46,.55,;-4.13,1.32,;-2.66,.85,;-2.26,-.64,;-.78,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;2.99,-4.81,;3.39,-6.3,;4.88,-6.7,;2.3,-7.39,;2.7,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-1.76,2.09,;-.23,2.25,;.54,.92,;.4,3.66,;-.51,4.91,;-2.04,4.75,;-2.66,3.34,;-4.13,2.86,;1.89,4.06,;2.98,2.97,;4.46,3.37,;4.86,4.86,;3.79,6,;2.29,5.55,;4.19,7.49,;5.67,7.88,;3.1,8.57,;5.55,2.28,;5.15,.79,;6.24,-.3,;7.73,.1,;8.13,1.59,;7.04,2.68,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCn3c12)c1cc(NC2CCOCC2)cc(c1)C(O)=O |(-3.83,5.31,;-5.16,6.08,;-5.63,7.54,;-7.17,7.54,;-7.94,8.88,;-7.65,6.08,;-8.98,5.31,;-6.4,5.17,;-6.4,3.63,;-7.74,2.86,;-9.07,3.63,;-7.74,1.32,;-6.4,.55,;-5.07,1.32,;-3.61,.85,;-3.21,-.64,;-1.72,-1.04,;-1.32,-2.53,;.17,-2.93,;.56,-4.41,;2.05,-4.81,;2.45,-6.3,;3.94,-6.7,;1.36,-7.39,;1.76,-8.88,;-.13,-6.99,;-1.22,-8.08,;-.52,-5.5,;-2.7,2.09,;-1.17,2.25,;-.4,.92,;-.54,3.66,;-1.45,4.91,;-2.98,4.75,;-3.61,3.34,;-5.07,2.86,;.94,4.06,;2.03,2.97,;3.52,3.37,;4.61,2.28,;6.1,2.68,;7.19,1.59,;8.67,1.99,;9.07,3.48,;7.98,4.56,;6.5,4.17,;3.92,4.86,;2.84,6,;1.34,5.55,;3.24,7.49,;4.73,7.88,;2.15,8.57,)|
CN(C)c1cc(NC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc(c1)C(O)=O |(5.12,-.57,;5.89,.76,;7.43,.76,;5.12,2.09,;3.58,2.09,;2.81,3.43,;1.25,3.43,;.48,2.09,;1.25,.76,;-1.06,2.09,;-1.96,3.34,;-3.43,2.86,;-4.76,3.63,;-4.76,5.17,;-3.52,6.08,;-2.18,5.31,;-3.99,7.54,;-5.53,7.54,;-6.3,8.88,;-6.01,6.08,;-7.34,5.31,;-6.1,2.86,;-7.43,3.63,;-6.1,1.32,;-4.76,.55,;-3.43,1.32,;-1.96,.85,;-1.56,-.64,;-.08,-1.04,;.32,-2.53,;1.81,-2.93,;2.21,-4.41,;3.7,-4.81,;4.09,-6.3,;5.58,-6.7,;3,-7.39,;3.4,-8.88,;1.52,-6.99,;.43,-8.08,;1.12,-5.5,;3.58,4.76,;5.15,4.81,;5.89,3.43,;5.92,6.14,;7.46,6.14,;5.15,7.48,)|
CN(C)c1cc(cc(c1)C(O)=O)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |(3.82,-1.61,;4.91,-.52,;6.4,-.92,;4.51,.97,;3.03,1.37,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;6.33,4.67,;7.82,4.27,;5.93,6.16,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-1.41,2.09,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-3.78,1.32,;-5.11,.55,;-6.45,1.32,;-6.45,2.86,;-7.78,3.63,;-5.11,3.63,;-5.11,5.17,;-3.87,6.08,;-2.53,5.31,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-3.78,2.86,;.13,2.09,;.9,.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(Br)cc(c1)C(O)=O |(-2.18,5.31,;-3.52,6.08,;-3.99,7.54,;-5.53,7.54,;-6.3,8.88,;-6.01,6.08,;-7.34,5.31,;-4.76,5.17,;-4.76,3.63,;-6.1,2.86,;-7.43,3.63,;-6.1,1.32,;-4.76,.55,;-3.43,1.32,;-1.96,.85,;-1.56,-.64,;-.08,-1.04,;.32,-2.53,;1.81,-2.93,;2.21,-4.41,;3.7,-4.81,;4.09,-6.3,;5.58,-6.7,;3,-7.39,;3.4,-8.88,;1.52,-6.99,;.43,-8.08,;1.12,-5.5,;-1.06,2.09,;-1.96,3.34,;-3.43,2.86,;.48,2.09,;1.25,.76,;1.25,3.43,;2.81,3.43,;3.58,2.09,;5.12,2.09,;5.89,.76,;5.89,3.43,;5.15,4.81,;3.58,4.76,;5.92,6.14,;5.15,7.48,;7.46,6.14,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(Br)cc(c1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;4.91,-.52,;5.6,2.06,;5.24,3.58,;3.72,3.94,;6.33,4.67,;5.93,6.16,;7.82,4.27,)|
CN1CCN(CC1)c1cc(cc(c1)C(O)=O)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |(6.11,-4.98,;5.71,-3.5,;4.22,-3.1,;3.82,-1.61,;4.91,-.52,;6.4,-.92,;6.8,-2.41,;4.51,.97,;3.03,1.37,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;6.33,4.67,;7.82,4.27,;5.93,6.16,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-1.41,2.09,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-3.78,1.32,;-5.11,.55,;-6.45,1.32,;-6.45,2.86,;-7.78,3.63,;-5.11,3.63,;-5.11,5.17,;-3.87,6.08,;-2.53,5.31,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-3.78,2.86,;.13,2.09,;.9,.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C)cc(c1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;4.91,-.52,;5.6,2.06,;5.24,3.58,;3.72,3.94,;6.33,4.67,;5.93,6.16,;7.82,4.27,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(Cl)cc(c1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;4.91,-.52,;5.6,2.06,;5.24,3.58,;3.72,3.94,;6.33,4.67,;5.93,6.16,;7.82,4.27,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(c1)C(F)(F)F)C(O)=O |(5.58,-5.59,;4.04,-5.57,;3.12,-6.8,;1.66,-6.3,;.4,-7.18,;1.69,-4.76,;.45,-3.83,;3.16,-4.31,;3.66,-2.85,;5.17,-2.56,;6.18,-3.72,;5.67,-1.1,;4.66,.06,;3.15,-.23,;1.92,.69,;1.94,2.23,;.62,3.03,;.65,4.57,;2,5.31,;2.02,6.85,;3.37,7.6,;3.4,9.14,;4.74,9.89,;2.08,9.93,;2.1,11.47,;.73,9.19,;-.59,9.98,;.7,7.65,;.66,-.19,;-.78,.38,;-.89,1.91,;-2.11,-.39,;-2.34,-1.91,;-1.3,-3.04,;.24,-2.93,;1.11,-1.66,;2.65,-1.69,;-3.38,.48,;-3.26,2.01,;-4.53,2.88,;-5.92,2.22,;-6.04,.68,;-4.77,-.19,;-7.43,.02,;-8.82,-.65,;-8.09,1.41,;-6.76,-1.37,;-4.42,4.42,;-3.03,5.09,;-5.69,5.29,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(F)cc(c1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;4.91,-.52,;5.6,2.06,;5.24,3.58,;3.72,3.94,;6.33,4.67,;5.93,6.16,;7.82,4.27,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(CO)cc(c1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.03,1.37,;4.51,.97,;4.91,-.52,;6.4,-.92,;5.6,2.06,;5.24,3.58,;3.72,3.94,;6.33,4.67,;7.82,4.27,;5.93,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(CN2CCCC2)cc(c1)C(O)=O |(-3.09,5.31,;-4.42,6.08,;-4.9,7.54,;-6.44,7.54,;-7.21,8.88,;-6.92,6.08,;-8.25,5.31,;-5.67,5.17,;-5.67,3.63,;-7,2.86,;-8.34,3.63,;-7,1.32,;-5.67,.55,;-4.34,1.32,;-2.87,.85,;-2.47,-.64,;-.99,-1.04,;-.59,-2.53,;.9,-2.93,;1.3,-4.41,;2.79,-4.81,;3.19,-6.3,;4.67,-6.7,;2.1,-7.39,;2.5,-8.88,;.61,-6.99,;-.48,-8.08,;.21,-5.5,;-1.97,2.09,;-.43,2.09,;.34,.76,;.59,3.25,;.31,4.77,;-1.05,5.5,;-2.46,4.89,;-2.87,3.34,;-4.34,2.86,;2.07,2.85,;2.47,1.37,;3.96,.97,;4.36,-.52,;5.85,-.92,;6.32,-2.38,;7.86,-2.38,;8.34,-.92,;7.09,-.01,;5.05,2.06,;4.69,3.58,;3.16,3.94,;5.78,4.67,;7.26,4.27,;5.38,6.16,)|
CN(C)Cc1cc(cc(c1)C(O)=O)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |(6.8,-2.41,;6.4,-.92,;7.49,.17,;4.91,-.52,;4.51,.97,;3.03,1.37,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;6.33,4.67,;7.82,4.27,;5.93,6.16,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-1.41,2.09,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-3.78,1.32,;-5.11,.55,;-6.45,1.32,;-6.45,2.86,;-7.78,3.63,;-5.11,3.63,;-5.11,5.17,;-3.87,6.08,;-2.53,5.31,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-3.78,2.86,;.13,2.09,;.9,.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(CN2CCOCC2)cc(c1)C(O)=O |(-3.33,5.31,;-4.67,6.08,;-5.14,7.54,;-6.68,7.54,;-7.45,8.88,;-7.16,6.08,;-8.49,5.31,;-5.91,5.17,;-5.91,3.63,;-7.24,2.86,;-8.58,3.63,;-7.24,1.32,;-5.91,.55,;-4.58,1.32,;-3.11,.85,;-2.71,-.64,;-1.23,-1.04,;-.83,-2.53,;.66,-2.93,;1.06,-4.41,;2.55,-4.81,;2.94,-6.3,;4.43,-6.7,;1.85,-7.39,;2.25,-8.88,;.37,-6.99,;-.72,-8.08,;-.03,-5.5,;-2.21,2.09,;-.67,2.09,;.1,.76,;.34,3.25,;.07,4.77,;-1.29,5.5,;-2.7,4.89,;-3.11,3.34,;-4.58,2.86,;1.83,2.85,;2.23,1.37,;3.72,.97,;4.12,-.52,;5.6,-.92,;6,-2.41,;7.49,-2.8,;8.58,-1.72,;8.18,-.23,;6.69,.17,;4.81,2.06,;4.45,3.58,;2.92,3.94,;5.54,4.67,;7.02,4.27,;5.14,6.16,)|
CN1CCN(Cc2cc(cc(c2)C(O)=O)N2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)CC1 |(9.32,-2.11,;7.83,-1.72,;6.75,-2.8,;5.26,-2.41,;4.86,-.92,;3.37,-.52,;2.97,.97,;1.49,1.37,;1.09,2.85,;2.18,3.94,;3.7,3.58,;4.06,2.06,;4.79,4.67,;6.28,4.27,;4.39,6.16,;-.4,3.25,;-.67,4.77,;-2.03,5.5,;-3.45,4.89,;-3.86,3.34,;-2.95,2.09,;-3.86,.85,;-3.46,-.64,;-1.97,-1.04,;-1.57,-2.53,;-.08,-2.93,;.31,-4.41,;1.8,-4.81,;2.2,-6.3,;3.69,-6.7,;1.11,-7.39,;1.51,-8.88,;-.38,-6.99,;-1.47,-8.08,;-.77,-5.5,;-5.32,1.32,;-6.66,.55,;-7.99,1.32,;-7.99,2.86,;-9.32,3.63,;-6.66,3.63,;-6.66,5.17,;-5.41,6.08,;-4.08,5.31,;-5.89,7.54,;-7.43,7.54,;-8.2,8.88,;-7.9,6.08,;-9.23,5.31,;-5.32,2.86,;-1.41,2.09,;-.64,.76,;5.95,.17,;7.44,-.23,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(Cn2ccnc2)cc(c1)C(O)=O |(-3.09,5.31,;-4.42,6.08,;-4.9,7.54,;-6.44,7.54,;-7.21,8.88,;-6.92,6.08,;-8.25,5.31,;-5.67,5.17,;-5.67,3.63,;-7,2.86,;-8.34,3.63,;-7,1.32,;-5.67,.55,;-4.34,1.32,;-2.87,.85,;-2.47,-.64,;-.99,-1.04,;-.59,-2.53,;.9,-2.93,;1.3,-4.41,;2.79,-4.81,;3.19,-6.3,;4.67,-6.7,;2.1,-7.39,;2.5,-8.88,;.61,-6.99,;-.48,-8.08,;.21,-5.5,;-1.97,2.09,;-.43,2.09,;.34,.76,;.59,3.25,;.31,4.77,;-1.05,5.5,;-2.46,4.89,;-2.87,3.34,;-4.34,2.86,;2.07,2.85,;2.47,1.37,;3.96,.97,;4.36,-.52,;5.85,-.92,;7.09,-.01,;8.34,-.92,;7.86,-2.38,;6.32,-2.38,;5.05,2.06,;4.69,3.58,;3.16,3.94,;5.78,4.67,;7.26,4.27,;5.38,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(Cl)n1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;4.51,.97,;4.91,-.52,;3.03,1.37,;6.33,4.67,;5.93,6.16,;7.82,4.27,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(c1)-c1ccncc1)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;4.51,.97,;3.03,1.37,;4.91,-.52,;3.82,-1.61,;4.22,-3.1,;5.71,-3.5,;6.8,-2.41,;6.4,-.92,;6.33,4.67,;7.82,4.27,;5.93,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(c1)-c1cccnc1C)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;4.51,.97,;3.03,1.37,;4.91,-.52,;3.82,-1.61,;4.22,-3.1,;5.71,-3.5,;6.8,-2.41,;6.4,-.92,;7.49,.17,;6.33,4.67,;7.82,4.27,;5.93,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(c1)-c1ccncc1C)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;4.51,.97,;3.03,1.37,;4.91,-.52,;3.82,-1.61,;4.22,-3.1,;5.71,-3.5,;6.8,-2.41,;6.4,-.92,;7.49,.17,;6.33,4.67,;7.82,4.27,;5.93,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(c1)-c1cnccc1C)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;4.51,.97,;3.03,1.37,;4.91,-.52,;3.82,-1.61,;4.22,-3.1,;5.71,-3.5,;6.8,-2.41,;6.4,-.92,;7.49,.17,;6.33,4.67,;7.82,4.27,;5.93,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc(c1)-c1cccn1C)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.24,3.58,;5.6,2.06,;4.51,.97,;3.03,1.37,;4.91,-.52,;4.01,-1.77,;4.91,-3.01,;6.38,-2.54,;6.38,-1,;7.71,-.23,;6.33,4.67,;7.82,4.27,;5.93,6.16,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(CC(O)=O)c1 |(-3.08,5.31,;-4.41,6.08,;-4.89,7.54,;-6.43,7.54,;-7.2,8.88,;-6.9,6.08,;-8.24,5.31,;-5.66,5.17,;-5.66,3.63,;-6.99,2.86,;-8.33,3.63,;-6.99,1.32,;-5.66,.55,;-4.32,1.32,;-2.86,.85,;-2.46,-.64,;-.97,-1.04,;-.58,-2.53,;.91,-2.93,;1.31,-4.41,;2.8,-4.81,;3.2,-6.3,;4.68,-6.7,;2.11,-7.39,;2.51,-8.88,;.62,-6.99,;-.47,-8.08,;.22,-5.5,;-1.96,2.09,;-.42,2.09,;.35,.76,;.6,3.25,;.32,4.77,;-1.03,5.5,;-2.45,4.89,;-2.86,3.34,;-4.32,2.86,;2.08,2.85,;2.48,1.37,;3.97,.97,;5.06,2.06,;4.66,3.54,;5.75,4.63,;7.24,4.23,;7.64,2.75,;8.33,5.32,;3.17,3.94,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(CC(O)=O)cc1 |(-3.13,5.31,;-4.47,6.08,;-4.94,7.54,;-6.48,7.54,;-7.25,8.88,;-6.96,6.08,;-8.29,5.31,;-5.71,5.17,;-5.71,3.63,;-7.05,2.86,;-8.38,3.63,;-7.05,1.32,;-5.71,.55,;-4.38,1.32,;-2.91,.85,;-2.52,-.64,;-1.03,-1.04,;-.63,-2.53,;.86,-2.93,;1.26,-4.41,;2.74,-4.81,;3.14,-6.3,;4.63,-6.7,;2.05,-7.39,;2.45,-8.88,;.57,-6.99,;-.52,-8.08,;.17,-5.5,;-2.01,2.09,;-.47,2.09,;.3,.76,;.54,3.25,;.27,4.77,;-1.09,5.5,;-2.5,4.89,;-2.91,3.34,;-4.38,2.86,;2.03,2.85,;2.43,1.37,;3.92,.97,;5.01,2.06,;6.49,1.66,;6.89,.17,;5.8,-.92,;8.38,-.23,;4.61,3.54,;3.12,3.94,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(C(O)=O)c2cc[nH]c2c1 |(-2.24,5.31,;-3.57,6.08,;-4.05,7.54,;-5.59,7.54,;-6.36,8.88,;-6.06,6.08,;-7.4,5.31,;-4.82,5.17,;-4.82,3.63,;-6.15,2.86,;-7.48,3.63,;-6.15,1.32,;-4.82,.55,;-3.48,1.32,;-2.02,.85,;-1.62,-.64,;-.13,-1.04,;.27,-2.53,;1.75,-2.93,;2.15,-4.41,;3.64,-4.81,;4.04,-6.3,;5.53,-6.7,;2.95,-7.39,;3.35,-8.88,;1.46,-6.99,;.37,-8.08,;1.06,-5.5,;-1.11,2.09,;-2.02,3.34,;-3.48,2.86,;.43,2.09,;1.2,.76,;1.2,3.43,;2.74,3.43,;3.51,4.76,;5.05,4.76,;5.82,6.09,;7.36,6.09,;5.05,7.43,;5.82,3.43,;7.32,3.11,;7.48,1.57,;6.08,.95,;5.05,2.09,;3.51,2.09,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1 |(8.69,-5.59,;7.22,-5.12,;6.74,-3.66,;5.2,-3.66,;4.29,-2.42,;4.73,-5.13,;3.26,-5.61,;5.98,-6.03,;5.98,-7.57,;4.66,-8.35,;3.32,-7.58,;4.65,-9.89,;5.99,-10.66,;7.32,-9.89,;8.8,-10.37,;9.27,-11.83,;10.78,-12.15,;11.25,-13.62,;12.76,-13.94,;13.24,-15.4,;14.74,-15.71,;15.22,-17.17,;16.73,-17.49,;14.19,-18.33,;14.66,-19.79,;12.68,-18.01,;11.65,-19.15,;12.2,-16.54,;9.71,-9.11,;11.26,-9.17,;11.87,-10.59,;12.28,-8,;11.99,-6.47,;10.63,-5.73,;9.2,-6.35,;8.8,-7.86,;7.32,-8.34,;13.77,-8.4,;14.85,-7.31,;16.33,-7.7,;17.42,-6.61,;17.02,-5.13,;18.91,-7.01,;16.73,-9.2,;18.1,-9.9,;17.85,-11.43,;16.33,-11.66,;15.63,-13.03,;15.64,-10.28,;14.16,-9.88,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ccn(Cc3cccnc3)c2c1 |(-2.54,5.31,;-3.87,6.08,;-4.35,7.54,;-5.89,7.54,;-6.66,8.88,;-6.36,6.08,;-7.7,5.31,;-5.12,5.17,;-5.12,3.63,;-6.45,2.86,;-7.79,3.63,;-6.45,1.32,;-5.12,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.04,-2.53,;1.45,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.22,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.07,-8.08,;.76,-5.5,;-1.42,2.09,;.12,2.09,;.89,.76,;1.14,3.25,;.86,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.62,2.85,;3.71,3.94,;5.2,3.54,;6.29,4.63,;7.78,4.23,;5.89,6.12,;5.6,2.06,;6.97,1.36,;6.73,-.16,;5.21,-.4,;4.44,-1.74,;5.21,-3.07,;4.81,-4.56,;5.9,-5.65,;7.39,-5.25,;7.79,-3.76,;6.7,-2.67,;4.51,.97,;3.02,1.37,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(Cc3cccnc3)ccc12)C(O)=O |(-3.52,5.31,;-4.85,6.08,;-5.33,7.54,;-6.87,7.54,;-7.64,8.88,;-7.34,6.08,;-8.68,5.31,;-6.1,5.17,;-6.1,3.63,;-7.43,2.86,;-8.76,3.63,;-7.43,1.32,;-6.1,.55,;-4.76,1.32,;-3.3,.85,;-2.9,-.64,;-1.41,-1.04,;-1.01,-2.53,;.47,-2.93,;.87,-4.41,;2.36,-4.81,;2.76,-6.3,;4.25,-6.7,;1.67,-7.39,;2.07,-8.88,;.18,-6.99,;-.91,-8.08,;-.22,-5.5,;-2.39,2.09,;-.86,2.09,;-.09,.76,;.16,3.25,;-.12,4.77,;-1.47,5.5,;-2.89,4.89,;-3.3,3.34,;-4.76,2.86,;1.65,2.85,;2.79,3.88,;4.25,3.41,;4.57,1.9,;3.43,.87,;3.43,-.67,;4.76,-1.44,;6.1,-.67,;6.1,.87,;7.43,1.64,;8.76,.87,;8.76,-.67,;7.43,-1.44,;1.97,-1.14,;1.06,.1,;1.97,1.35,;5.4,4.44,;6.86,3.96,;5.08,5.94,)|
CN(C)CCn1ccc2c(cc(cc12)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |(7.52,-4.41,;6.75,-3.07,;7.52,-1.74,;5.21,-3.07,;4.44,-1.74,;5.21,-.4,;6.73,-.16,;6.98,1.36,;5.6,2.06,;5.2,3.54,;3.72,3.94,;2.63,2.85,;3.03,1.37,;4.51,.97,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-1.41,2.09,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-3.78,1.32,;-5.11,.55,;-6.45,1.32,;-6.45,2.86,;-7.78,3.63,;-5.11,3.63,;-5.11,5.17,;-3.87,6.08,;-2.53,5.31,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-3.78,2.86,;.13,2.09,;.9,.76,;6.29,4.63,;7.78,4.23,;5.89,6.12,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2n(C)ccc12 |(-1.52,5.31,;-2.85,6.08,;-3.33,7.54,;-4.87,7.54,;-5.64,8.88,;-5.34,6.08,;-6.68,5.31,;-4.1,5.17,;-4.1,3.63,;-5.43,2.86,;-6.76,3.63,;-5.43,1.32,;-4.1,.55,;-2.76,1.32,;-1.3,.85,;-.9,-.64,;.59,-1.04,;.99,-2.53,;2.47,-2.93,;2.87,-4.41,;4.36,-4.81,;4.76,-6.3,;6.25,-6.7,;3.67,-7.39,;4.07,-8.88,;2.18,-6.99,;1.09,-8.08,;1.78,-5.5,;-.39,2.09,;1.15,2.09,;1.92,.76,;2.16,3.25,;1.88,4.77,;.53,5.5,;-.89,4.89,;-1.3,3.34,;-2.76,2.86,;3.65,2.85,;4.79,3.88,;6.25,3.41,;6.57,1.9,;5.43,.87,;5.43,-.67,;6.76,-1.44,;3.97,-1.14,;3.06,.1,;3.97,1.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc2ccn(C)c2c1 |(-2.09,5.31,;-3.42,6.08,;-3.9,7.54,;-5.44,7.54,;-6.21,8.88,;-5.92,6.08,;-7.25,5.31,;-4.67,5.17,;-4.67,3.63,;-6,2.86,;-7.34,3.63,;-6,1.32,;-4.67,.55,;-3.34,1.32,;-1.87,.85,;-1.47,-.64,;.02,-1.04,;.41,-2.53,;1.9,-2.93,;2.3,-4.41,;3.79,-4.81,;4.19,-6.3,;5.67,-6.7,;3.1,-7.39,;3.5,-8.88,;1.61,-6.99,;.52,-8.08,;1.21,-5.5,;-.97,2.09,;.57,2.09,;1.34,.76,;1.59,3.25,;1.31,4.77,;-.04,5.5,;-1.46,4.89,;-1.87,3.34,;-3.34,2.86,;3.07,2.85,;4.22,3.88,;5.68,3.41,;6,1.9,;7.34,1.13,;7.02,-.37,;5.48,-.54,;4.71,-1.87,;4.86,.87,;3.39,1.35,)|
CCn1ccc2c(cc(cc12)C(O)=O)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |(7.06,-.67,;5.73,-1.44,;4.4,-.67,;2.93,-1.14,;2.03,.1,;2.93,1.35,;2.61,2.85,;3.76,3.88,;5.22,3.41,;5.54,1.9,;4.4,.87,;6.37,4.44,;7.83,3.96,;6.05,5.94,;1.12,3.25,;.85,4.77,;-.51,5.5,;-1.92,4.89,;-2.33,3.34,;-1.43,2.09,;-2.33,.85,;-1.93,-.64,;-.45,-1.04,;-.05,-2.53,;1.44,-2.93,;1.84,-4.41,;3.33,-4.81,;3.72,-6.3,;5.21,-6.7,;2.64,-7.39,;3.03,-8.88,;1.15,-6.99,;.06,-8.08,;.75,-5.5,;-3.8,1.32,;-5.13,.55,;-6.46,1.32,;-6.46,2.86,;-7.8,3.63,;-5.13,3.63,;-5.13,5.17,;-3.88,6.08,;-2.55,5.31,;-4.36,7.54,;-5.9,7.54,;-6.67,8.88,;-6.38,6.08,;-7.71,5.31,;-3.8,2.86,;.11,2.09,;.88,.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2n(C)ccc2c1 |(-2.76,5.31,;-4.09,6.08,;-4.57,7.54,;-6.11,7.54,;-6.88,8.88,;-6.58,6.08,;-7.92,5.31,;-5.34,5.17,;-5.34,3.63,;-6.67,2.86,;-8,3.63,;-6.67,1.32,;-5.34,.55,;-4,1.32,;-2.54,.85,;-2.14,-.64,;-.65,-1.04,;-.25,-2.53,;1.23,-2.93,;1.63,-4.41,;3.12,-4.81,;3.52,-6.3,;5.01,-6.7,;2.43,-7.39,;2.83,-8.88,;.94,-6.99,;-.15,-8.08,;.54,-5.5,;-1.63,2.09,;-.09,2.09,;.68,.76,;.92,3.25,;.64,4.77,;-.71,5.5,;-2.13,4.89,;-2.54,3.34,;-4,2.86,;2.41,2.85,;3.55,3.88,;5.02,3.41,;6.16,4.44,;7.62,3.96,;5.84,5.94,;5.34,1.9,;6.67,1.13,;8,1.9,;6.35,-.37,;4.82,-.54,;4.19,.87,;2.73,1.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2[nH]ccc12)C(O)=O |(-1.79,5.31,;-3.13,6.08,;-3.6,7.54,;-5.14,7.54,;-5.91,8.88,;-5.62,6.08,;-6.95,5.31,;-4.37,5.17,;-4.37,3.63,;-5.71,2.86,;-7.04,3.63,;-5.71,1.32,;-4.37,.55,;-3.04,1.32,;-1.57,.85,;-1.18,-.64,;.31,-1.04,;.71,-2.53,;2.2,-2.93,;2.6,-4.41,;4.08,-4.81,;4.48,-6.3,;5.97,-6.7,;3.39,-7.39,;3.79,-8.88,;1.91,-6.99,;.82,-8.08,;1.51,-5.5,;-.67,2.09,;.87,2.09,;1.64,.76,;1.88,3.25,;1.61,4.77,;.25,5.5,;-1.17,4.89,;-1.57,3.34,;-3.04,2.86,;3.37,2.85,;3.69,1.35,;5.15,.87,;6.3,1.9,;5.98,3.41,;6.88,4.65,;5.98,5.9,;4.51,5.42,;4.51,3.88,;5.47,-.64,;4.33,-1.67,;6.94,-1.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2cc[nH]c2c1 |(-2.55,5.31,;-3.88,6.08,;-4.36,7.54,;-5.9,7.54,;-6.67,8.88,;-6.38,6.08,;-7.71,5.31,;-5.13,5.17,;-5.13,3.63,;-6.46,2.86,;-7.8,3.63,;-6.46,1.32,;-5.13,.55,;-3.8,1.32,;-2.33,.85,;-1.93,-.64,;-.45,-1.04,;-.05,-2.53,;1.44,-2.93,;1.84,-4.41,;3.33,-4.81,;3.72,-6.3,;5.21,-6.7,;2.64,-7.39,;3.03,-8.88,;1.15,-6.99,;.06,-8.08,;.75,-5.5,;-1.43,2.09,;.11,2.09,;.88,.76,;1.12,3.25,;.85,4.77,;-.51,5.5,;-1.92,4.89,;-2.33,3.34,;-3.8,2.86,;2.61,2.85,;3.76,3.88,;5.22,3.41,;6.37,4.44,;7.83,3.96,;6.05,5.94,;5.54,1.9,;6.88,1.13,;6.55,-.37,;5.02,-.54,;4.4,.87,;2.93,1.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)cc(C=O)c12)C(O)=O |(-2.49,5.31,;-3.82,6.08,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-5.06,5.17,;-5.06,3.63,;-6.4,2.86,;-7.73,3.63,;-6.4,1.32,;-5.06,.55,;-3.73,1.32,;-2.27,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.9,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.21,-6.99,;.13,-8.08,;.82,-5.5,;-1.36,2.09,;.18,2.09,;.95,.76,;1.19,3.25,;.92,4.77,;-.44,5.5,;-1.86,4.89,;-2.27,3.34,;-3.73,2.86,;2.68,2.85,;3,1.35,;4.46,.87,;5.61,1.9,;5.29,3.41,;6.19,4.65,;7.73,4.65,;5.29,5.9,;3.82,5.42,;2.49,6.19,;2.49,7.73,;3.82,3.88,;4.78,-.64,;3.64,-1.67,;6.25,-1.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)cc(Cl)c12)C(O)=O |(-2.49,5.31,;-3.82,6.08,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-5.06,5.17,;-5.06,3.63,;-6.4,2.86,;-7.73,3.63,;-6.4,1.32,;-5.06,.55,;-3.73,1.32,;-2.27,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.9,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.21,-6.99,;.13,-8.08,;.82,-5.5,;-1.36,2.09,;.18,2.09,;.95,.76,;1.19,3.25,;.92,4.77,;-.44,5.5,;-1.86,4.89,;-2.27,3.34,;-3.73,2.86,;2.68,2.85,;3,1.35,;4.46,.87,;5.61,1.9,;5.29,3.41,;6.19,4.65,;7.73,4.65,;5.29,5.9,;3.82,5.42,;2.49,6.19,;3.82,3.88,;4.78,-.64,;3.64,-1.67,;6.25,-1.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)cc(Br)c12)C(O)=O |(-2.49,5.31,;-3.82,6.08,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-5.06,5.17,;-5.06,3.63,;-6.4,2.86,;-7.73,3.63,;-6.4,1.32,;-5.06,.55,;-3.73,1.32,;-2.27,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.9,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.21,-6.99,;.13,-8.08,;.82,-5.5,;-1.36,2.09,;.18,2.09,;.95,.76,;1.19,3.25,;.92,4.77,;-.44,5.5,;-1.86,4.89,;-2.27,3.34,;-3.73,2.86,;2.68,2.85,;3,1.35,;4.46,.87,;5.61,1.9,;5.29,3.41,;6.19,4.65,;7.73,4.65,;5.29,5.9,;3.82,5.42,;2.49,6.19,;3.82,3.88,;4.78,-.64,;3.64,-1.67,;6.25,-1.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2c(Cl)cn(C)c2c1 |(-2.62,5.31,;-3.95,6.08,;-4.43,7.54,;-5.97,7.54,;-6.74,8.88,;-6.44,6.08,;-7.78,5.31,;-5.2,5.17,;-5.2,3.63,;-6.53,2.86,;-7.87,3.63,;-6.53,1.32,;-5.2,.55,;-3.87,1.32,;-2.4,.85,;-2,-.64,;-.51,-1.04,;-.12,-2.53,;1.37,-2.93,;1.77,-4.41,;3.26,-4.81,;3.66,-6.3,;5.14,-6.7,;2.57,-7.39,;2.97,-8.88,;1.08,-6.99,;-.01,-8.08,;.68,-5.5,;-1.5,2.09,;.04,2.09,;.81,.76,;1.06,3.25,;.78,4.77,;-.57,5.5,;-1.99,4.89,;-2.4,3.34,;-3.87,2.86,;2.54,2.85,;3.02,1.39,;4.53,1.07,;5,-.4,;3.97,-1.54,;6.51,-.72,;5.56,2.21,;7.1,2.21,;7.87,.88,;7.57,3.68,;6.33,4.58,;6.33,6.12,;5.08,3.68,;3.57,4,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2c(Br)cn(C)c2c1 |(-2.62,5.31,;-3.95,6.08,;-4.43,7.54,;-5.97,7.54,;-6.74,8.88,;-6.44,6.08,;-7.78,5.31,;-5.2,5.17,;-5.2,3.63,;-6.53,2.86,;-7.87,3.63,;-6.53,1.32,;-5.2,.55,;-3.87,1.32,;-2.4,.85,;-2,-.64,;-.51,-1.04,;-.12,-2.53,;1.37,-2.93,;1.77,-4.41,;3.26,-4.81,;3.66,-6.3,;5.14,-6.7,;2.57,-7.39,;2.97,-8.88,;1.08,-6.99,;-.01,-8.08,;.68,-5.5,;-1.5,2.09,;.04,2.09,;.81,.76,;1.06,3.25,;.78,4.77,;-.57,5.5,;-1.99,4.89,;-2.4,3.34,;-3.87,2.86,;2.54,2.85,;3.02,1.39,;4.53,1.07,;5,-.4,;3.97,-1.54,;6.51,-.72,;5.56,2.21,;7.1,2.21,;7.87,.88,;7.57,3.68,;6.33,4.58,;6.33,6.12,;5.08,3.68,;3.57,4,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(o1)C(O)=O |(8.68,-22.93,;7.21,-22.46,;6.73,-20.99,;5.19,-21,;4.28,-19.75,;4.72,-22.46,;3.26,-22.94,;5.97,-23.36,;5.98,-24.91,;4.65,-25.68,;4.65,-27.23,;5.98,-28,;7.31,-27.23,;8.79,-27.7,;9.26,-29.17,;10.77,-29.49,;11.25,-30.95,;12.75,-31.27,;13.23,-32.74,;14.73,-33.05,;15.21,-34.51,;16.72,-34.82,;14.18,-35.66,;14.66,-37.13,;12.67,-35.34,;11.64,-36.49,;12.2,-33.88,;9.7,-26.45,;8.79,-25.2,;7.31,-25.67,;11.24,-26.45,;12.01,-27.78,;12.01,-25.12,;13.55,-25.11,;14.32,-23.78,;13.69,-22.37,;14.84,-21.34,;16.17,-22.11,;15.85,-23.61,;17.58,-21.48,;17.74,-19.95,;18.82,-22.39,)|
CC[C@H](C)[C@H](NC(=O)c1ccc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)o1)C(O)=O |r,wU:4.4,2.2,(-13.88,5.68,;-12.64,6.59,;-11.23,5.96,;-11.07,4.43,;-9.98,6.87,;-8.58,6.24,;-7.33,7.15,;-7.49,8.68,;-5.92,6.52,;-4.59,7.29,;-3.45,6.26,;-4.07,4.85,;-3.3,3.52,;-1.76,3.52,;-.99,2.19,;-1.76,.85,;.55,2.19,;1.45,3.43,;2.92,2.96,;4.25,3.73,;5.59,2.96,;5.59,1.42,;4.25,.65,;2.92,1.42,;1.45,.94,;.98,-.52,;2.01,-1.67,;1.53,-3.13,;2.56,-4.28,;2.09,-5.74,;.58,-6.06,;.1,-7.53,;-1.4,-7.85,;1.13,-8.67,;.66,-10.14,;2.64,-8.35,;3.67,-9.5,;3.12,-6.89,;4.25,5.27,;3.01,6.17,;1.54,5.7,;3.48,7.64,;5.02,7.64,;5.93,8.88,;5.5,6.17,;6.96,5.7,;-5.6,5.01,;-10.14,8.4,;-8.9,9.31,;-11.55,9.03,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:42.46,(-6.11,5.31,;-7.44,6.08,;-7.92,7.54,;-9.46,7.54,;-10.23,8.88,;-9.93,6.08,;-11.27,5.31,;-8.69,5.17,;-8.69,3.63,;-10.02,2.86,;-10.02,1.32,;-8.69,.55,;-7.35,1.32,;-5.89,.85,;-5.49,-.64,;-4,-1.04,;-3.6,-2.53,;-2.12,-2.93,;-1.72,-4.41,;-.23,-4.81,;.17,-6.3,;1.65,-6.7,;-.92,-7.39,;-.52,-8.88,;-2.41,-6.99,;-3.5,-8.08,;-2.81,-5.5,;-4.98,2.09,;-5.89,3.34,;-7.35,2.86,;-3.44,2.09,;-2.67,.76,;-2.67,3.43,;-1.13,3.43,;-.36,4.76,;-.84,6.22,;.41,7.13,;1.65,6.22,;1.18,4.76,;3.14,6.62,;3.54,8.11,;4.23,5.53,;5.72,5.93,;6.11,7.42,;7.6,7.82,;8,9.31,;9.49,9.7,;10.58,8.62,;10.18,7.13,;8.69,6.73,;6.8,4.84,;8.29,5.24,;6.41,3.36,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)c(C)o1 |(-2.59,5.31,;-3.92,6.08,;-4.4,7.54,;-5.94,7.54,;-6.71,8.88,;-6.41,6.08,;-7.75,5.31,;-5.17,5.17,;-5.17,3.63,;-6.5,2.86,;-6.5,1.32,;-5.17,.55,;-3.83,1.32,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;3.29,-4.81,;3.69,-6.3,;5.17,-6.7,;2.6,-7.39,;3,-8.88,;1.11,-6.99,;.02,-8.08,;.71,-5.5,;-1.46,2.09,;-2.37,3.34,;-3.83,2.86,;.08,2.09,;.85,.76,;.85,3.43,;2.39,3.43,;3.16,4.76,;4.7,4.76,;5.17,6.22,;6.66,6.62,;7.75,5.53,;7.06,8.11,;3.93,7.13,;3.93,8.67,;2.68,6.22,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(cc(Cl)n1)C(O)=O |(-2.22,4.7,;-3.55,5.47,;-4.03,6.93,;-5.57,6.93,;-6.34,8.27,;-6.04,5.47,;-7.38,4.7,;-4.8,4.56,;-4.8,3.02,;-6.13,2.25,;-6.13,.71,;-4.8,-.06,;-3.46,.71,;-2,.24,;-1.6,-1.25,;-.11,-1.65,;.29,-3.14,;1.77,-3.54,;2.17,-5.02,;3.66,-5.42,;4.06,-6.91,;5.55,-7.31,;2.97,-8,;3.37,-9.49,;1.48,-7.6,;.39,-8.69,;1.08,-6.11,;-1.09,1.48,;-2,2.73,;-3.46,2.25,;.45,1.48,;1.22,.15,;1.22,2.82,;2.76,2.82,;3.53,4.15,;2.76,5.48,;3.53,6.82,;5.07,6.82,;5.84,5.48,;7.38,5.48,;5.07,4.15,;2.76,8.15,;3.53,9.49,;1.22,8.15,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.45,4.07,;7.2,5.42,;8.74,5.44,;9.53,4.12,;8.78,2.77,;6.41,6.74,;7.01,7.81,;5.18,6.72,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(OC=O)cc(n1)N1CCc2ccccc2C1 |(-4.87,5.39,;-6.2,6.16,;-6.68,7.62,;-8.22,7.62,;-8.99,8.96,;-8.69,6.16,;-10.03,5.39,;-7.45,5.25,;-7.45,3.71,;-8.78,2.94,;-10.12,3.71,;-8.78,1.4,;-7.45,.63,;-6.11,1.4,;-4.65,.93,;-4.25,-.56,;-5.34,-1.65,;-4.94,-3.14,;-6.03,-4.23,;-5.63,-5.71,;-6.72,-6.8,;-6.32,-8.29,;-7.41,-9.38,;-4.83,-8.69,;-4.44,-10.18,;-3.75,-7.6,;-2.26,-8,;-4.14,-6.11,;-3.74,2.17,;-4.65,3.42,;-6.11,2.94,;-2.2,2.17,;-1.43,.84,;-1.43,3.51,;.11,3.51,;.88,4.84,;.11,6.17,;.85,7.56,;.08,8.89,;-1.46,8.89,;-2.23,10.22,;2.42,7.51,;3.19,6.17,;2.42,4.84,;4.73,6.17,;5.5,7.51,;7.04,7.51,;7.81,6.17,;9.35,6.17,;10.12,4.84,;9.35,3.51,;7.81,3.51,;7.04,4.84,;5.5,4.84,)|
CC(C)CCNc1cc(OC=O)cc(CNC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)n1 |(7.42,6.82,;8.19,5.48,;9.73,5.48,;7.42,4.15,;5.88,4.15,;5.11,5.48,;3.57,5.48,;2.8,6.82,;1.23,6.87,;.46,8.2,;-1.08,8.2,;-1.85,9.53,;.49,5.48,;1.26,4.15,;.49,2.82,;-1.05,2.82,;-1.82,1.48,;-1.05,.15,;-3.36,1.48,;-4.26,2.73,;-5.73,2.25,;-7.06,3.02,;-7.06,4.56,;-5.82,5.47,;-4.48,4.7,;-6.29,6.93,;-7.83,6.93,;-8.6,8.27,;-8.31,5.47,;-9.64,4.7,;-8.4,2.25,;-9.73,3.02,;-8.4,.71,;-7.06,-.06,;-5.73,.71,;-4.26,.24,;-3.87,-1.25,;-2.38,-1.65,;-1.98,-3.14,;-.49,-3.54,;-.09,-5.02,;1.39,-5.42,;1.79,-6.91,;3.28,-7.31,;.7,-8,;1.1,-9.49,;-.78,-7.6,;-1.87,-8.69,;-1.18,-6.11,;2.8,4.15,)|
CC(C)CC(=O)N1CCN(CC1)c1cc(OC=O)cc(CNC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)n1 |(10.12,1.48,;9.35,2.82,;7.81,2.82,;10.12,4.15,;9.35,5.48,;10.12,6.82,;7.81,5.48,;7.04,4.15,;5.5,4.15,;4.73,5.48,;5.5,6.82,;7.04,6.82,;3.19,5.48,;2.42,6.82,;.85,6.87,;.08,8.2,;-1.46,8.2,;-2.23,9.53,;.11,5.48,;.88,4.15,;.11,2.82,;-1.43,2.82,;-2.2,1.48,;-1.43,.15,;-3.74,1.48,;-4.65,2.73,;-6.11,2.25,;-7.45,3.02,;-7.45,4.56,;-6.2,5.47,;-4.87,4.7,;-6.68,6.93,;-8.22,6.93,;-8.99,8.27,;-8.69,5.47,;-10.03,4.7,;-8.78,2.25,;-10.12,3.02,;-8.78,.71,;-7.45,-.06,;-6.11,.71,;-4.65,.24,;-4.25,-1.25,;-2.76,-1.65,;-2.37,-3.14,;-.88,-3.54,;-.48,-5.02,;1.01,-5.42,;1.41,-6.91,;2.89,-7.31,;.32,-8,;.72,-9.49,;-1.17,-7.6,;-2.26,-8.69,;-1.57,-6.11,;2.42,4.15,)|
CC(C)CCN1CCN(CC1)c1cc(OC=O)cc(CNC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)n1 |(10.12,1.48,;9.35,2.82,;7.81,2.82,;10.12,4.15,;9.35,5.48,;7.81,5.48,;7.04,4.15,;5.5,4.15,;4.73,5.48,;5.5,6.82,;7.04,6.82,;3.19,5.48,;2.42,6.82,;.85,6.87,;.08,8.2,;-1.46,8.2,;-2.23,9.53,;.11,5.48,;.88,4.15,;.11,2.82,;-1.43,2.82,;-2.2,1.48,;-1.43,.15,;-3.74,1.48,;-4.65,2.73,;-6.11,2.25,;-7.45,3.02,;-7.45,4.56,;-6.2,5.47,;-4.87,4.7,;-6.68,6.93,;-8.22,6.93,;-8.99,8.27,;-8.69,5.47,;-10.03,4.7,;-8.78,2.25,;-10.12,3.02,;-8.78,.71,;-7.45,-.06,;-6.11,.71,;-4.65,.24,;-4.25,-1.25,;-2.76,-1.65,;-2.37,-3.14,;-.88,-3.54,;-.48,-5.02,;1.01,-5.42,;1.41,-6.91,;2.89,-7.31,;.32,-8,;.72,-9.49,;-1.17,-7.6,;-2.26,-8.69,;-1.57,-6.11,;2.42,4.15,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(O)=O |(-1.3,5.31,;-2.64,6.08,;-3.11,7.54,;-4.65,7.54,;-5.42,8.88,;-5.13,6.08,;-6.46,5.31,;-3.88,5.17,;-3.88,3.63,;-5.22,2.86,;-5.22,1.32,;-3.88,.55,;-2.55,1.32,;-1.08,.85,;-.68,-.64,;.8,-1.04,;1.2,-2.53,;2.69,-2.93,;3.09,-4.41,;4.58,-4.81,;4.97,-6.3,;6.46,-6.7,;3.88,-7.39,;4.28,-8.88,;2.4,-6.99,;1.31,-8.08,;2,-5.5,;-.18,2.09,;-1.08,3.34,;-2.55,2.86,;1.36,2.09,;2.13,.76,;2.13,3.43,;3.67,3.43,;4.44,4.76,;5.98,4.76,;3.67,6.09,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(=O)NCC(O)=O |(-2.6,5.31,;-3.94,6.08,;-4.41,7.54,;-5.95,7.54,;-6.72,8.88,;-6.43,6.08,;-7.76,5.31,;-5.18,5.17,;-5.18,3.63,;-6.52,2.86,;-6.52,1.32,;-5.18,.55,;-3.85,1.32,;-2.38,.85,;-1.99,-.64,;-.5,-1.04,;-.1,-2.53,;1.39,-2.93,;1.79,-4.41,;3.27,-4.81,;3.67,-6.3,;5.16,-6.7,;2.58,-7.39,;2.98,-8.88,;1.1,-6.99,;.01,-8.08,;.7,-5.5,;-1.48,2.09,;-2.38,3.34,;-3.85,2.86,;.06,2.09,;.83,.76,;.83,3.43,;2.37,3.43,;3.14,4.76,;2.37,6.09,;4.68,4.76,;5.45,6.09,;6.99,6.09,;7.76,4.76,;7.76,7.43,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:37.40,(-2.6,4.03,;-3.94,4.8,;-4.41,6.27,;-5.95,6.27,;-6.72,7.6,;-6.43,4.8,;-7.76,4.03,;-5.18,3.9,;-5.18,2.36,;-6.52,1.59,;-6.52,.05,;-5.18,-.72,;-3.85,.05,;-2.38,-.43,;-1.99,-1.92,;-.5,-2.32,;-.1,-3.8,;1.39,-4.2,;1.79,-5.69,;3.27,-6.09,;3.67,-7.58,;5.16,-7.97,;2.58,-8.66,;2.98,-10.15,;1.1,-8.27,;.01,-9.35,;.7,-6.78,;-1.48,.82,;-2.38,2.06,;-3.85,1.59,;.06,.82,;.83,-.52,;.83,2.15,;2.37,2.15,;3.14,3.48,;2.37,4.82,;4.68,3.48,;5.45,4.82,;4.68,6.15,;5.45,7.48,;4.68,8.82,;5.45,10.15,;6.99,10.15,;7.76,8.82,;6.99,7.48,;6.99,4.82,;7.76,3.48,;7.76,6.15,)|
CC(C)C[C@H](NC(=O)CNC(=O)c1[nH]c2c(cccc2c1CCCOc1cc(C)c(Cl)c(C)c1)-c1c(C)nn(C)c1C)C(O)=O |r,wU:4.4,(4.68,9.49,;5.45,8.15,;6.99,8.15,;4.68,6.82,;5.45,5.48,;4.68,4.15,;3.14,4.15,;2.37,5.48,;2.37,2.82,;.83,2.82,;.06,1.48,;.83,.15,;-1.48,1.48,;-2.38,2.73,;-3.85,2.25,;-5.18,3.02,;-6.52,2.25,;-6.52,.71,;-5.18,-.06,;-3.85,.71,;-2.38,.24,;-1.99,-1.25,;-.5,-1.65,;-.1,-3.14,;1.39,-3.54,;1.79,-5.02,;3.27,-5.42,;3.67,-6.91,;5.16,-7.31,;2.58,-8,;2.98,-9.49,;1.1,-7.6,;.01,-8.69,;.7,-6.11,;-5.18,4.56,;-3.94,5.47,;-2.6,4.7,;-4.41,6.93,;-5.95,6.93,;-6.72,8.27,;-6.43,5.47,;-7.76,4.7,;6.99,5.48,;7.76,4.15,;7.76,6.82,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)c(CN2CCc3ccccc3C2)o1 |(-2.36,-3.29,;-3.69,-4.06,;-4.17,-5.53,;-5.71,-5.53,;-6.48,-6.86,;-6.18,-4.06,;-7.52,-3.29,;-4.94,-3.16,;-4.94,-1.62,;-6.27,-.85,;-6.27,.69,;-4.94,1.46,;-3.6,.69,;-2.14,1.17,;-1.74,2.66,;-.25,3.06,;.15,4.54,;1.63,4.94,;2.03,6.43,;3.52,6.83,;3.92,8.32,;5.4,8.71,;2.83,9.41,;3.23,10.89,;1.34,9.01,;.25,10.1,;.94,7.52,;-1.23,-.08,;-2.14,-1.32,;-3.6,-.85,;.31,-.08,;1.08,1.26,;1.08,-1.41,;2.62,-1.41,;3.39,-2.74,;4.85,-3.22,;4.85,-4.76,;6.18,-5.53,;6.18,-7.07,;7.52,-4.76,;3.39,-5.23,;2.99,-6.72,;1.5,-7.12,;.41,-6.03,;-1.08,-6.43,;-1.48,-7.92,;-2.96,-8.32,;-3.36,-9.8,;-2.27,-10.89,;-.79,-10.49,;-.39,-9.01,;1.1,-8.61,;2.48,-3.99,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCc4ccccc4OC=O)CCCn3c12 |(-2.73,5.31,;-4.06,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.55,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.64,2.86,;-7.97,3.63,;-6.64,1.32,;-5.31,.55,;-3.97,1.32,;-2.51,.85,;-2.11,-.64,;-.62,-1.04,;-.22,-2.53,;1.26,-2.93,;1.66,-4.41,;3.15,-4.81,;3.55,-6.3,;5.04,-6.7,;2.46,-7.39,;2.86,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.6,2.09,;-.06,2.09,;.71,.76,;.95,3.25,;2.44,2.85,;3.58,3.88,;5.04,3.41,;5.37,1.9,;6.83,1.43,;7.97,2.46,;7.65,3.96,;6.18,4.49,;5.86,6,;7,7.03,;8.47,6.55,;.67,4.77,;-.68,5.5,;-2.1,4.89,;-2.51,3.34,;-3.97,2.86,)|
Cc1nn(CC(O)=O)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)NCCCn3c12 |(-.67,4.64,;-2,5.41,;-2.48,6.88,;-4.02,6.88,;-4.79,8.21,;-6.33,8.21,;-7.1,6.88,;-7.1,9.54,;-4.49,5.41,;-5.83,4.64,;-3.25,4.51,;-3.25,2.97,;-4.58,2.2,;-5.91,2.97,;-4.58,.66,;-3.25,-.11,;-1.91,.66,;-.45,.18,;-.05,-1.31,;1.44,-1.71,;1.84,-3.19,;3.32,-3.59,;3.72,-5.08,;5.21,-5.48,;5.61,-6.97,;7.1,-7.36,;4.52,-8.06,;4.92,-9.54,;3.03,-7.66,;1.94,-8.75,;2.63,-6.17,;.46,1.43,;2,1.43,;2.77,.09,;3.01,2.59,;2.73,4.1,;1.38,4.83,;-.04,4.23,;-.45,2.67,;-1.91,2.2,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(Cl)n4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;3.42,4.87,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;6.03,5.43,;6.35,3.92,;7.81,3.45,;5.21,2.89,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(Br)cc(c4)C(O)=O)CCCn3c12 |(-1.52,5.29,;-2.61,6.38,;-2.61,7.92,;-4.07,8.39,;-4.47,9.88,;-4.98,7.15,;-6.52,7.15,;-4.07,5.9,;-4.47,4.41,;-5.98,4.09,;-7.07,5.18,;-6.45,2.63,;-5.42,1.48,;-3.92,1.8,;-2.67,.9,;-2.67,-.64,;-4.01,-1.41,;-4.01,-2.95,;-5.34,-3.72,;-5.34,-5.26,;-6.67,-6.03,;-6.67,-7.57,;-8.01,-8.34,;-5.34,-8.34,;-5.34,-9.88,;-4.01,-7.57,;-2.67,-8.34,;-4.01,-6.03,;-1.43,1.8,;.02,1.26,;.02,-.28,;1.34,2.05,;2.67,1.28,;4.01,2.05,;5.34,1.28,;6.67,2.05,;8.01,1.28,;6.67,3.59,;5.33,4.39,;4.01,3.59,;5.32,5.93,;3.99,6.7,;6.65,6.71,;1.54,3.58,;.48,4.69,;-1.05,4.55,;-1.9,3.27,;-3.44,3.27,)|
CC(C)CCOc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(10.01,2.02,;8.55,2.49,;8.23,4,;7.4,1.46,;5.94,1.94,;5.62,3.45,;4.15,3.92,;3.01,2.89,;1.54,3.37,;.4,2.34,;-1.09,2.74,;-1.36,4.25,;-2.72,4.98,;-4.14,4.38,;-4.55,2.82,;-3.64,1.58,;-4.55,.33,;-4.15,-1.16,;-2.66,-1.56,;-2.26,-3.04,;-.77,-3.44,;-.37,-4.93,;1.11,-5.33,;1.51,-6.82,;3,-7.21,;.42,-7.91,;.82,-9.39,;-1.06,-7.51,;-2.15,-8.6,;-1.46,-6.02,;-6.01,.81,;-7.34,.04,;-8.68,.81,;-8.68,2.35,;-10.01,3.12,;-7.34,3.12,;-7.34,4.66,;-6.1,5.56,;-4.76,4.79,;-6.57,7.03,;-8.11,7.03,;-8.88,8.36,;-8.59,5.56,;-9.92,4.79,;-6.01,2.35,;-2.1,1.58,;-1.33,.24,;1.22,4.87,;2.36,5.96,;2.04,7.46,;.57,7.94,;.25,9.45,;3.83,5.43,)|
CC(C)CCCOc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(10.58,3.05,;9.44,2.02,;9.76,.51,;7.97,2.49,;6.83,1.46,;5.37,1.94,;5.04,3.45,;3.58,3.92,;2.44,2.89,;.97,3.37,;-.17,2.34,;-1.66,2.74,;-1.94,4.25,;-3.29,4.98,;-4.71,4.38,;-5.12,2.82,;-4.21,1.58,;-5.12,.33,;-4.72,-1.16,;-3.23,-1.56,;-2.83,-3.04,;-1.35,-3.44,;-.95,-4.93,;.54,-5.33,;.94,-6.82,;2.43,-7.21,;-.15,-7.91,;.25,-9.39,;-1.64,-7.51,;-2.73,-8.6,;-2.04,-6.02,;-6.58,.81,;-7.92,.04,;-9.25,.81,;-9.25,2.35,;-10.58,3.12,;-7.92,3.12,;-7.92,4.66,;-6.67,5.56,;-5.34,4.79,;-7.15,7.03,;-8.69,7.03,;-9.46,8.36,;-9.16,5.56,;-10.5,4.79,;-6.58,2.35,;-2.67,1.58,;-1.9,.24,;.65,4.87,;1.78,5.96,;1.46,7.46,;-0,7.94,;-.32,9.45,;3.26,5.43,)|
CC(C)CCOc1cc(OC=O)cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)n1 |(10.01,2.02,;8.55,2.49,;8.23,4,;7.4,1.46,;5.94,1.94,;5.62,3.45,;4.15,3.92,;3.83,5.43,;2.36,5.96,;2.04,7.46,;.57,7.94,;.25,9.45,;1.22,4.87,;1.54,3.37,;.4,2.34,;-1.09,2.74,;-1.36,4.25,;-2.72,4.98,;-4.14,4.38,;-4.55,2.82,;-3.64,1.58,;-4.55,.33,;-4.15,-1.16,;-2.66,-1.56,;-2.26,-3.04,;-.77,-3.44,;-.37,-4.93,;1.11,-5.33,;1.51,-6.82,;3,-7.21,;.42,-7.91,;.82,-9.39,;-1.06,-7.51,;-2.15,-8.6,;-1.46,-6.02,;-6.01,.81,;-7.34,.04,;-8.68,.81,;-8.68,2.35,;-10.01,3.12,;-7.34,3.12,;-7.34,4.66,;-6.1,5.56,;-4.76,4.79,;-6.57,7.03,;-8.11,7.03,;-8.88,8.36,;-8.59,5.56,;-9.92,4.79,;-6.01,2.35,;-2.1,1.58,;-1.33,.24,;3.01,2.89,)|
CC(C)CCCOc1cc(OC=O)cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)n1 |(10.58,3.05,;9.44,2.02,;9.76,.51,;7.97,2.49,;6.83,1.46,;5.37,1.94,;5.04,3.45,;3.58,3.92,;3.26,5.43,;1.78,5.96,;1.46,7.46,;-0,7.94,;-.32,9.45,;.65,4.87,;.97,3.37,;-.17,2.34,;-1.66,2.74,;-1.94,4.25,;-3.29,4.98,;-4.71,4.38,;-5.12,2.82,;-4.21,1.58,;-5.12,.33,;-4.72,-1.16,;-3.23,-1.56,;-2.83,-3.04,;-1.35,-3.44,;-.95,-4.93,;.54,-5.33,;.94,-6.82,;2.43,-7.21,;-.15,-7.91,;.25,-9.39,;-1.64,-7.51,;-2.73,-8.6,;-2.04,-6.02,;-6.58,.81,;-7.92,.04,;-9.25,.81,;-9.25,2.35,;-10.58,3.12,;-7.92,3.12,;-7.92,4.66,;-6.67,5.56,;-5.34,4.79,;-7.15,7.03,;-8.69,7.03,;-9.46,8.36,;-9.16,5.56,;-10.5,4.79,;-6.58,2.35,;-2.67,1.58,;-1.9,.24,;2.44,2.89,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CC(O)=O)CCCn3c12 |(-1.26,5.31,;-2.6,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.09,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.18,2.86,;-6.51,3.63,;-5.18,1.32,;-3.84,.55,;-2.51,1.32,;-1.04,.85,;-.65,-.64,;.84,-1.04,;1.24,-2.53,;2.73,-2.93,;3.13,-4.41,;4.61,-4.81,;5.01,-6.3,;6.5,-6.7,;3.92,-7.39,;4.32,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.14,2.09,;1.4,2.09,;2.17,.76,;2.41,3.25,;3.9,2.85,;5.04,3.88,;6.51,3.41,;4.72,5.39,;2.14,4.77,;.78,5.5,;-.63,4.89,;-1.04,3.34,;-2.51,2.86,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CC(=O)N[C@@H](Cc4ccccc4)C(O)=O)CCCn3c12 |r,wU:36.37,(-4.44,5.31,;-5.78,6.08,;-6.25,7.54,;-7.79,7.54,;-8.56,8.88,;-8.27,6.08,;-9.6,5.31,;-7.02,5.17,;-7.02,3.63,;-8.36,2.86,;-9.69,3.63,;-8.36,1.32,;-7.02,.55,;-5.69,1.32,;-4.23,.85,;-3.83,-.64,;-2.34,-1.04,;-1.94,-2.53,;-.45,-2.93,;-.05,-4.41,;1.43,-4.81,;1.83,-6.3,;3.32,-6.7,;.74,-7.39,;1.14,-8.88,;-.74,-6.99,;-1.83,-8.08,;-1.14,-5.5,;-3.32,2.09,;-1.78,2.09,;-1.01,.76,;-.77,3.25,;.72,2.85,;1.86,3.88,;1.54,5.39,;3.33,3.41,;3.65,1.9,;5.11,1.43,;6.26,2.46,;5.94,3.96,;7.08,4.99,;8.55,4.52,;8.87,3.01,;7.72,1.98,;2.5,.87,;1.04,1.35,;2.82,-.64,;-1.04,4.77,;-2.4,5.5,;-3.82,4.89,;-4.23,3.34,;-5.69,2.86,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(c4)-c4ccc(O)cc4)CCCn3c12 |(-4.76,4.79,;-6.1,5.56,;-6.57,7.03,;-8.11,7.03,;-8.88,8.36,;-8.59,5.56,;-9.92,4.79,;-7.34,4.66,;-7.34,3.12,;-8.68,2.35,;-10.01,3.12,;-8.68,.81,;-7.34,.04,;-6.01,.81,;-4.55,.33,;-4.15,-1.16,;-2.66,-1.56,;-2.26,-3.04,;-.77,-3.44,;-.37,-4.93,;1.11,-5.33,;1.51,-6.82,;3,-7.21,;.42,-7.91,;.82,-9.39,;-1.06,-7.51,;-2.15,-8.6,;-1.46,-6.02,;-3.64,1.58,;-2.1,1.58,;-1.33,.24,;-1.09,2.74,;.4,2.34,;1.54,3.37,;1.22,4.87,;2.36,5.96,;2.04,7.46,;.57,7.94,;.25,9.45,;3.83,5.43,;4.15,3.92,;3.01,2.89,;5.62,3.45,;5.94,1.94,;7.4,1.46,;8.55,2.49,;10.01,2.02,;8.23,4,;6.76,4.48,;-1.36,4.25,;-2.72,4.98,;-4.14,4.38,;-4.55,2.82,;-6.01,2.35,)|
CC(C)CC(=O)NCCc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(8.29,-.52,;9.44,.51,;10.9,.04,;9.12,2.02,;7.65,2.49,;7.33,4,;6.51,1.46,;5.04,1.94,;4.72,3.45,;3.26,3.92,;2.12,2.89,;.65,3.37,;-.49,2.34,;-1.98,2.74,;-2.26,4.25,;-3.61,4.98,;-5.03,4.38,;-5.44,2.82,;-4.53,1.58,;-5.44,.33,;-5.04,-1.16,;-3.55,-1.56,;-3.15,-3.04,;-1.67,-3.44,;-1.27,-4.93,;.22,-5.33,;.62,-6.82,;2.11,-7.21,;-.47,-7.91,;-.07,-9.39,;-1.96,-7.51,;-3.05,-8.6,;-2.36,-6.02,;-6.9,.81,;-8.24,.04,;-9.57,.81,;-9.57,2.35,;-10.9,3.12,;-8.24,3.12,;-8.24,4.66,;-6.99,5.56,;-5.66,4.79,;-7.47,7.03,;-9.01,7.03,;-9.78,8.36,;-9.48,5.56,;-10.82,4.79,;-6.9,2.35,;-2.99,1.58,;-2.22,.24,;.33,4.87,;1.46,5.96,;1.14,7.46,;-.32,7.94,;-.64,9.45,;2.94,5.43,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(=O)NS(=O)(=O)c4ccc(OCc5ccccc5)cc4)CCCn3c12 |(-6.14,4.12,;-7.48,4.89,;-7.95,6.35,;-9.49,6.35,;-10.26,7.69,;-9.97,4.89,;-11.3,4.12,;-8.72,3.98,;-8.72,2.44,;-10.06,1.67,;-11.39,2.44,;-10.06,.13,;-8.72,-.64,;-7.39,.13,;-5.93,-.34,;-5.53,-1.83,;-4.04,-2.23,;-3.64,-3.72,;-2.15,-4.11,;-1.75,-5.6,;-.27,-6,;.13,-7.49,;1.62,-7.89,;-.96,-8.58,;-.56,-10.07,;-2.45,-8.18,;-3.53,-9.27,;-2.84,-6.69,;-5.02,.9,;-3.48,.9,;-2.71,-.43,;-2.47,2.06,;-.93,2.06,;-.16,3.4,;1.38,3.4,;2.15,4.73,;1.38,6.06,;-.16,6.06,;-.93,4.73,;2.15,7.4,;1.38,8.73,;3.69,7.4,;4.46,8.73,;3.13,9.5,;5.23,10.07,;6,8.73,;6.77,7.4,;8.31,7.4,;9.08,8.73,;10.62,8.73,;11.39,7.4,;10.62,6.06,;9.08,6.06,;8.31,4.73,;9.08,3.4,;10.62,3.4,;11.39,4.73,;8.31,10.07,;6.77,10.07,;-2.74,3.58,;-4.1,4.31,;-5.52,3.7,;-5.93,2.15,;-7.39,1.67,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(=O)NS(=O)(=O)c4ccc(OCc5cccnc5)cc4)CCCn3c12 |(-6.14,4.12,;-7.48,4.89,;-7.95,6.35,;-9.49,6.35,;-10.26,7.69,;-9.97,4.89,;-11.3,4.12,;-8.72,3.98,;-8.72,2.44,;-10.06,1.67,;-11.39,2.44,;-10.06,.13,;-8.72,-.64,;-7.39,.13,;-5.93,-.34,;-5.53,-1.83,;-4.04,-2.23,;-3.64,-3.72,;-2.15,-4.11,;-1.75,-5.6,;-.27,-6,;.13,-7.49,;1.62,-7.89,;-.96,-8.58,;-.56,-10.07,;-2.45,-8.18,;-3.53,-9.27,;-2.84,-6.69,;-5.02,.9,;-3.48,.9,;-2.71,-.43,;-2.47,2.06,;-.93,2.06,;-.16,3.4,;1.38,3.4,;2.15,4.73,;1.38,6.06,;-.16,6.06,;-.93,4.73,;2.15,7.4,;1.38,8.73,;3.69,7.4,;4.46,8.73,;3.13,9.5,;5.23,10.07,;6,8.73,;6.77,7.4,;8.31,7.4,;9.08,8.73,;10.62,8.73,;11.39,7.4,;10.62,6.06,;11.39,4.73,;10.62,3.4,;9.08,3.4,;8.31,4.73,;9.08,6.06,;8.31,10.07,;6.77,10.07,;-2.74,3.58,;-4.1,4.31,;-5.52,3.7,;-5.93,2.15,;-7.39,1.67,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(Br)cc(OC=O)c4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;5.21,2.89,;6.35,3.92,;7.81,3.45,;6.03,5.43,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;3.42,4.87,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O |r,wD:33.36,36.43,(-2.6,5.31,;-3.94,6.08,;-4.41,7.54,;-5.95,7.54,;-6.72,8.88,;-6.43,6.08,;-7.76,5.31,;-5.18,5.17,;-5.18,3.63,;-6.52,2.86,;-6.52,1.32,;-5.18,.55,;-3.85,1.32,;-2.38,.85,;-1.99,-.64,;-.5,-1.04,;-.1,-2.53,;1.39,-2.93,;1.79,-4.41,;3.27,-4.81,;3.67,-6.3,;5.16,-6.7,;2.58,-7.39,;2.98,-8.88,;1.1,-6.99,;.01,-8.08,;.7,-5.5,;-1.48,2.09,;-2.38,3.34,;-3.85,2.86,;.06,2.09,;.83,.76,;.83,3.43,;2.37,3.43,;3.14,2.09,;4.68,2.09,;5.51,3.43,;4.68,4.76,;3.14,4.76,;7.05,3.43,;7.82,2.09,;7.82,4.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCCC[C@H]1OC=O |r,wD:33.36,38.43,(-1.45,5.31,;-2.78,6.08,;-3.26,7.54,;-4.8,7.54,;-5.57,8.88,;-5.27,6.08,;-6.61,5.31,;-4.03,5.17,;-4.03,3.63,;-5.36,2.86,;-5.36,1.32,;-4.03,.55,;-2.69,1.32,;-1.23,.85,;-.83,-.64,;.66,-1.04,;1.06,-2.53,;2.54,-2.93,;2.94,-4.41,;4.43,-4.81,;4.83,-6.3,;6.32,-6.7,;3.74,-7.39,;4.14,-8.88,;2.25,-6.99,;1.16,-8.08,;1.85,-5.5,;-.32,2.09,;-1.23,3.34,;-2.69,2.86,;1.22,2.09,;1.99,.76,;1.99,3.43,;3.53,3.43,;4.3,2.09,;5.84,2.09,;6.61,3.43,;5.84,4.76,;4.27,4.81,;3.5,6.14,;4.27,7.48,;5.81,7.47,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@@H]1CCC[C@H](C1)C(O)=O |r,wU:37.43,wD:33.36,(-2.22,5.31,;-3.55,6.08,;-4.03,7.54,;-5.57,7.54,;-6.34,8.88,;-6.04,6.08,;-7.38,5.31,;-4.8,5.17,;-4.8,3.63,;-6.13,2.86,;-6.13,1.32,;-4.8,.55,;-3.46,1.32,;-2,.85,;-1.6,-.64,;-.11,-1.04,;.29,-2.53,;1.77,-2.93,;2.17,-4.41,;3.66,-4.81,;4.06,-6.3,;5.55,-6.7,;2.97,-7.39,;3.37,-8.88,;1.48,-6.99,;.39,-8.08,;1.08,-5.5,;-1.09,2.09,;-2,3.34,;-3.46,2.86,;.45,2.09,;1.22,.76,;1.22,3.43,;2.76,3.43,;3.53,4.76,;5.07,4.76,;5.84,3.43,;5.09,2.04,;3.53,2.09,;5.86,.71,;5.09,-.62,;7.4,.71,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC1CCN(CC1)C(=O)CC(O)=O |(-3.76,5.31,;-5.09,6.08,;-5.57,7.54,;-7.11,7.54,;-7.88,8.88,;-7.58,6.08,;-8.92,5.31,;-6.34,5.17,;-6.34,3.63,;-7.67,2.86,;-7.67,1.32,;-6.34,.55,;-5,1.32,;-3.54,.85,;-3.14,-.64,;-1.65,-1.04,;-1.25,-2.53,;.23,-2.93,;.63,-4.41,;2.12,-4.81,;2.52,-6.3,;4.01,-6.7,;1.43,-7.39,;1.83,-8.88,;-.06,-6.99,;-1.15,-8.08,;-.46,-5.5,;-2.63,2.09,;-3.54,3.34,;-5,2.86,;-1.09,2.09,;-.32,.76,;-.32,3.43,;1.22,3.43,;1.99,2.09,;3.53,2.09,;4.3,3.43,;3.53,4.76,;1.99,4.76,;5.84,3.43,;6.61,4.76,;6.61,2.09,;8.15,2.09,;8.92,.76,;8.92,3.43,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC1CCN(CC1)C(=O)C(O)=O |(-3.37,5.31,;-4.71,6.08,;-5.18,7.54,;-6.72,7.54,;-7.49,8.88,;-7.2,6.08,;-8.53,5.31,;-5.95,5.17,;-5.95,3.63,;-7.29,2.86,;-7.29,1.32,;-5.95,.55,;-4.62,1.32,;-3.15,.85,;-2.76,-.64,;-1.27,-1.04,;-.87,-2.53,;.62,-2.93,;1.02,-4.41,;2.5,-4.81,;2.9,-6.3,;4.39,-6.7,;1.81,-7.39,;2.21,-8.88,;.33,-6.99,;-.76,-8.08,;-.07,-5.5,;-2.25,2.09,;-3.15,3.34,;-4.62,2.86,;-.71,2.09,;.06,.76,;.06,3.43,;1.6,3.43,;2.37,2.09,;3.91,2.09,;4.68,3.43,;3.91,4.76,;2.37,4.76,;6.22,3.43,;6.99,4.76,;6.99,2.09,;8.53,2.09,;6.22,.76,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:34.37,wD:37.44,(-2.22,4.7,;-3.55,5.47,;-4.03,6.93,;-5.57,6.93,;-6.34,8.27,;-6.04,5.47,;-7.38,4.7,;-4.8,4.56,;-4.8,3.02,;-6.13,2.25,;-6.13,.71,;-4.8,-.06,;-3.46,.71,;-2,.24,;-1.6,-1.25,;-.11,-1.65,;.29,-3.14,;1.77,-3.54,;2.17,-5.02,;3.66,-5.42,;4.06,-6.91,;5.55,-7.31,;2.97,-8,;3.37,-9.49,;1.48,-7.6,;.39,-8.69,;1.08,-6.11,;-1.09,1.48,;-2,2.73,;-3.46,2.25,;.45,1.48,;1.22,.15,;1.22,2.82,;2.76,2.82,;3.53,4.15,;2.76,5.48,;3.53,6.82,;5.09,6.87,;5.84,5.48,;5.07,4.15,;5.86,8.2,;5.09,9.53,;7.4,8.2,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC1CCN(CC1)C(=O)C(O)=O |(-3.33,5.31,;-4.66,6.08,;-5.14,7.54,;-6.68,7.54,;-7.45,8.88,;-7.15,6.08,;-8.49,5.31,;-5.91,5.17,;-5.91,3.63,;-7.24,2.86,;-8.58,3.63,;-7.24,1.32,;-5.91,.55,;-4.57,1.32,;-3.11,.85,;-2.71,-.64,;-1.22,-1.04,;-.83,-2.53,;.66,-2.93,;1.06,-4.41,;2.55,-4.81,;2.95,-6.3,;4.43,-6.7,;1.86,-7.39,;2.26,-8.88,;.37,-6.99,;-.72,-8.08,;-.03,-5.5,;-2.2,2.09,;-3.11,3.34,;-4.57,2.86,;-.66,2.09,;.11,.76,;.11,3.43,;1.65,3.43,;2.42,2.09,;3.96,2.09,;4.73,3.43,;3.96,4.76,;2.42,4.76,;6.27,3.43,;7.04,4.76,;7.04,2.09,;8.58,2.09,;6.27,.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@@H]1CCC[C@H](C1)C(O)=O |r,wU:38.44,wD:34.37,(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;-1.95,3.34,;-3.42,2.86,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,4.76,;5.11,4.76,;5.88,3.43,;5.14,2.04,;3.57,2.09,;5.91,.71,;5.14,-.62,;7.45,.71,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CC(C1)NC(=O)C(O)=O |(-1.95,5.31,;-3.28,6.08,;-3.76,7.54,;-5.3,7.54,;-6.07,8.88,;-5.77,6.08,;-7.11,5.31,;-4.53,5.17,;-4.53,3.63,;-5.86,2.86,;-7.19,3.63,;-5.86,1.32,;-4.53,.55,;-3.19,1.32,;-1.73,.85,;-1.33,-.64,;.16,-1.04,;.56,-2.53,;2.04,-2.93,;2.44,-4.41,;3.93,-4.81,;4.33,-6.3,;5.82,-6.7,;3.24,-7.39,;3.64,-8.88,;1.75,-6.99,;.66,-8.08,;1.35,-5.5,;-.82,2.09,;-1.73,3.34,;-3.19,2.86,;.72,2.09,;1.49,.76,;1.49,3.43,;2.97,3.82,;2.57,5.31,;1.09,4.91,;3.34,6.65,;4.88,6.65,;5.65,7.98,;5.65,5.31,;7.19,5.31,;4.88,3.98,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:35.38,wD:38.45,(-2.17,4.7,;-3.51,5.47,;-3.98,6.93,;-5.52,6.93,;-6.29,8.27,;-6,5.47,;-7.33,4.7,;-4.75,4.56,;-4.75,3.02,;-6.09,2.25,;-7.42,3.02,;-6.09,.71,;-4.75,-.06,;-3.42,.71,;-1.95,.24,;-1.56,-1.25,;-.07,-1.65,;.33,-3.14,;1.82,-3.54,;2.22,-5.02,;3.7,-5.42,;4.1,-6.91,;5.59,-7.31,;3.01,-8,;3.41,-9.49,;1.53,-7.6,;.44,-8.69,;1.13,-6.11,;-1.05,1.48,;-1.95,2.73,;-3.42,2.25,;.49,1.48,;1.26,.15,;1.26,2.82,;2.8,2.82,;3.57,4.15,;2.8,5.48,;3.57,6.82,;5.14,6.87,;5.88,5.48,;5.11,4.15,;5.91,8.2,;5.14,9.53,;7.45,8.2,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCN(C1)C(=O)C(O)=O |r,wD:34.37,(-2.88,5.31,;-4.21,6.08,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-5.46,5.17,;-5.46,3.63,;-6.79,2.86,;-8.13,3.63,;-6.79,1.32,;-5.46,.55,;-4.13,1.32,;-2.66,.85,;-2.26,-.64,;-.78,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.39,-6.3,;4.88,-6.7,;2.31,-7.39,;2.7,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-1.76,2.09,;-2.66,3.34,;-4.13,2.86,;-.22,2.09,;.55,.76,;.55,3.43,;2.09,3.43,;3,2.18,;4.46,2.66,;4.46,4.2,;3,4.67,;5.55,5.28,;5.15,6.77,;7.04,4.89,;8.13,5.98,;7.44,3.4,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@@H]1CCN(C1)C(=O)C(O)=O |r,wU:34.37,(-2.88,5.31,;-4.21,6.08,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-5.46,5.17,;-5.46,3.63,;-6.79,2.86,;-8.13,3.63,;-6.79,1.32,;-5.46,.55,;-4.13,1.32,;-2.66,.85,;-2.26,-.64,;-.78,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.39,-6.3,;4.88,-6.7,;2.31,-7.39,;2.7,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-1.76,2.09,;-2.66,3.34,;-4.13,2.86,;-.22,2.09,;.55,.76,;.55,3.43,;2.09,3.43,;3,2.18,;4.46,2.66,;4.46,4.2,;3,4.67,;5.55,5.28,;5.15,6.77,;7.04,4.89,;8.13,5.98,;7.44,3.4,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@@H]1CCCN(C1)C(=O)C(O)=O |r,wU:34.37,(-2.56,5.31,;-3.89,6.08,;-4.37,7.54,;-5.91,7.54,;-6.68,8.88,;-6.38,6.08,;-7.72,5.31,;-5.14,5.17,;-5.14,3.63,;-6.47,2.86,;-7.81,3.63,;-6.47,1.32,;-5.14,.55,;-3.8,1.32,;-2.34,.85,;-1.94,-.64,;-.45,-1.04,;-.06,-2.53,;1.43,-2.93,;1.83,-4.41,;3.32,-4.81,;3.72,-6.3,;5.2,-6.7,;2.63,-7.39,;3.03,-8.88,;1.14,-6.99,;.05,-8.08,;.74,-5.5,;-1.43,2.09,;-2.34,3.34,;-3.8,2.86,;.11,2.09,;.88,.76,;.88,3.43,;2.42,3.43,;3.19,2.09,;4.73,2.09,;5.5,3.43,;4.73,4.76,;3.19,4.76,;5.5,6.09,;4.73,7.43,;7.04,6.09,;7.81,7.43,;7.81,4.76,)|
CC(C)CCNc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(10.36,5.11,;8.87,5.51,;8.47,6.99,;7.78,4.42,;6.29,4.81,;5.21,3.73,;3.72,4.12,;2.63,3.04,;1.14,3.43,;.05,2.35,;-1.44,2.74,;-1.71,4.26,;-3.07,4.99,;-4.48,4.38,;-4.89,2.83,;-3.99,1.58,;-4.89,.34,;-4.49,-1.15,;-3.01,-1.55,;-2.61,-3.04,;-1.12,-3.43,;-.72,-4.92,;.77,-5.32,;1.16,-6.81,;2.65,-7.21,;.08,-7.9,;.47,-9.38,;-1.41,-7.5,;-2.5,-8.59,;-1.81,-6.01,;-6.36,.81,;-7.69,.04,;-9.02,.81,;-9.02,2.35,;-10.36,3.12,;-7.69,3.12,;-7.69,4.66,;-6.44,5.57,;-5.11,4.8,;-6.92,7.03,;-8.46,7.03,;-9.23,8.37,;-8.94,5.57,;-10.27,4.8,;-6.36,2.35,;-2.45,1.58,;-1.68,.25,;.74,4.92,;1.82,6.06,;1.42,7.55,;-.07,7.95,;-.47,9.44,;3.32,5.61,)|
CC(C)CC(=O)N(C(=O)CC(C)C)c1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(10.36,5.11,;8.87,5.51,;8.47,6.99,;7.78,4.42,;6.29,4.81,;5.9,6.3,;5.21,3.73,;5.6,2.24,;4.51,1.15,;7.09,1.84,;7.49,.35,;6.4,-.74,;8.98,-.05,;3.72,4.12,;2.63,3.04,;1.14,3.43,;.05,2.35,;-1.44,2.74,;-1.71,4.26,;-3.07,4.99,;-4.48,4.38,;-4.89,2.83,;-3.99,1.58,;-4.89,.34,;-4.49,-1.15,;-3.01,-1.55,;-2.61,-3.04,;-1.12,-3.43,;-.72,-4.92,;.77,-5.32,;1.16,-6.81,;2.65,-7.21,;.08,-7.9,;.47,-9.38,;-1.41,-7.5,;-2.5,-8.59,;-1.81,-6.01,;-6.36,.81,;-7.69,.04,;-9.02,.81,;-9.02,2.35,;-10.36,3.12,;-7.69,3.12,;-7.69,4.66,;-6.44,5.57,;-5.11,4.8,;-6.92,7.03,;-8.46,7.03,;-9.23,8.37,;-8.94,5.57,;-10.27,4.8,;-6.36,2.35,;-2.45,1.58,;-1.68,.25,;.74,4.92,;1.82,6.06,;1.42,7.55,;-.07,7.95,;-.47,9.44,;3.32,5.61,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CC[C@H](C1)C(O)=O |r,wU:34.37,37.43,(-2.38,5.31,;-3.72,6.08,;-4.19,7.54,;-5.73,7.54,;-6.5,8.88,;-6.21,6.08,;-7.54,5.31,;-4.96,5.17,;-4.96,3.63,;-6.3,2.86,;-7.63,3.63,;-6.3,1.32,;-4.96,.55,;-3.63,1.32,;-2.16,.85,;-1.76,-.64,;-.28,-1.04,;.12,-2.53,;1.61,-2.93,;2.01,-4.41,;3.49,-4.81,;3.89,-6.3,;5.38,-6.7,;2.8,-7.39,;3.2,-8.88,;1.32,-6.99,;.23,-8.08,;.92,-5.5,;-1.26,2.09,;-2.16,3.34,;-3.63,2.86,;.28,2.09,;1.05,.76,;1.05,3.43,;2.59,3.43,;3.5,4.67,;4.96,4.2,;4.99,2.63,;3.5,2.18,;6.24,1.73,;6.08,.2,;7.65,2.35,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCC[C@H](C1)C(O)=O |r,wU:34.37,38.44,(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;-1.95,3.34,;-3.42,2.86,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,4.76,;5.11,4.76,;5.88,3.43,;5.14,2.04,;3.57,2.09,;5.91,.71,;5.14,-.62,;7.45,.71,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O |r,wU:34.37,37.44,(-2.56,5.31,;-3.89,6.08,;-4.37,7.54,;-5.91,7.54,;-6.68,8.88,;-6.38,6.08,;-7.72,5.31,;-5.14,5.17,;-5.14,3.63,;-6.47,2.86,;-7.81,3.63,;-6.47,1.32,;-5.14,.55,;-3.8,1.32,;-2.34,.85,;-1.94,-.64,;-.45,-1.04,;-.06,-2.53,;1.43,-2.93,;1.83,-4.41,;3.32,-4.81,;3.72,-6.3,;5.2,-6.7,;2.63,-7.39,;3.03,-8.88,;1.14,-6.99,;.05,-8.08,;.74,-5.5,;-1.43,2.09,;-2.34,3.34,;-3.8,2.86,;.11,2.09,;.88,.76,;.88,3.43,;2.42,3.43,;3.19,4.76,;4.73,4.76,;5.55,3.43,;4.73,2.09,;3.19,2.09,;7.09,3.43,;7.86,2.09,;7.86,4.76,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCCC[C@H]1OC=O |r,wD:34.37,39.44,(-1.4,5.31,;-2.74,6.08,;-3.21,7.54,;-4.75,7.54,;-5.52,8.88,;-5.23,6.08,;-6.56,5.31,;-3.98,5.17,;-3.98,3.63,;-5.32,2.86,;-6.65,3.63,;-5.32,1.32,;-3.98,.55,;-2.65,1.32,;-1.18,.85,;-.79,-.64,;.7,-1.04,;1.1,-2.53,;2.59,-2.93,;2.99,-4.41,;4.47,-4.81,;4.87,-6.3,;6.36,-6.7,;3.78,-7.39,;4.18,-8.88,;2.3,-6.99,;1.21,-8.08,;1.9,-5.5,;-.28,2.09,;-1.18,3.34,;-2.65,2.86,;1.26,2.09,;2.03,.76,;2.03,3.43,;3.57,3.43,;4.34,2.09,;5.88,2.09,;6.65,3.43,;5.88,4.76,;4.31,4.81,;3.54,6.14,;4.31,7.48,;5.85,7.47,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCC[C@H]1OC=O |r,wD:34.37,38.43,(-1.26,5.31,;-2.59,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.17,2.86,;-6.5,3.63,;-5.17,1.32,;-3.84,.55,;-2.5,1.32,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.13,2.09,;-1.04,3.34,;-2.5,2.86,;1.41,2.09,;2.18,.76,;2.18,3.43,;3.72,3.43,;4.62,2.18,;6.09,2.66,;6.09,4.2,;4.63,4.77,;4.18,6.24,;5.22,7.37,;4.77,8.84,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1ccc(cc1)C(O)=O |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;-1.95,1.4,;-3.42,.92,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCC(C1)C(O)=O |(-1.44,5.31,;-2.77,6.08,;-3.24,7.54,;-4.78,7.54,;-5.55,8.88,;-5.26,6.08,;-6.59,5.31,;-4.01,5.17,;-4.01,3.63,;-5.35,2.86,;-6.68,3.63,;-5.35,1.32,;-4.01,.55,;-2.68,1.32,;-1.22,.85,;-.82,-.64,;.67,-1.04,;1.07,-2.53,;2.56,-2.93,;2.95,-4.41,;4.44,-4.81,;4.84,-6.3,;6.33,-6.7,;3.75,-7.39,;4.15,-8.88,;2.26,-6.99,;1.18,-8.08,;1.87,-5.5,;-.31,2.09,;-1.22,3.34,;-2.68,2.86,;1.23,2.09,;2,.76,;2,3.43,;1.52,4.89,;2.77,5.8,;4.05,4.9,;3.54,3.43,;5.52,5.38,;6.66,4.35,;5.84,6.89,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCC[C@H]1C(O)=O |r,wU:37.42,(-1.26,5.31,;-2.59,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.17,2.86,;-6.5,3.63,;-5.17,1.32,;-3.84,.55,;-2.5,1.32,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.13,2.09,;-1.04,3.34,;-2.5,2.86,;1.41,2.09,;2.18,.76,;2.18,3.43,;1.7,4.89,;2.95,5.8,;4.19,4.89,;3.74,3.39,;4.64,2.15,;4.02,.74,;6.18,2.31,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(cc3)C(O)=O)n(Cc3cccnc3)c12 |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,;-1.95,1.4,;-1.8,2.78,;-1.18,4.27,;.36,4.27,;1.13,5.6,;.36,6.94,;-1.18,6.94,;-1.95,5.6,;-3.42,.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(cc3)C(O)=O)n(C)c12 |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,;-1.95,1.4,;-1.18,2.73,;-3.42,.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(cc3)C(O)=O)n(Cc3ccccn3)c12 |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,;-1.95,1.4,;-1.8,2.78,;-1.18,4.27,;.36,4.27,;1.13,5.6,;.36,6.94,;-1.18,6.94,;-1.95,5.6,;-3.42,.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(cc3)C(O)=O)n(CCN3CCOCC3)c12 |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;5.11,5.48,;5.88,6.82,;5.14,8.2,;3.57,8.15,;2.8,6.82,;5.91,9.53,;5.14,10.87,;7.45,9.53,;-1.95,1.4,;-1.8,2.78,;-.62,3.71,;-.62,5.25,;.71,6.02,;.71,7.56,;-.62,8.33,;-1.95,7.56,;-1.95,6.02,;-3.42,.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1ccc(cn1)C(O)=O |(-2.17,3.36,;-3.51,4.13,;-3.98,5.6,;-5.52,5.6,;-6.29,6.93,;-6,4.13,;-7.33,3.36,;-4.75,3.23,;-4.75,1.69,;-6.09,.92,;-7.42,1.69,;-6.09,-.62,;-4.75,-1.39,;-3.42,-.62,;-1.95,-1.1,;-1.56,-2.58,;-.07,-2.98,;.33,-4.47,;1.82,-4.87,;2.22,-6.36,;3.7,-6.75,;4.1,-8.24,;5.59,-8.64,;3.01,-9.33,;3.41,-10.82,;1.53,-8.93,;.44,-10.02,;1.13,-7.45,;-1.05,.15,;-1.95,1.4,;-3.42,.92,;.49,.15,;1.26,-1.18,;1.26,1.48,;2.8,1.48,;3.57,2.82,;2.8,4.15,;1.26,4.15,;.49,2.82,;3.57,5.48,;2.8,6.82,;3.57,8.15,;5.14,8.2,;5.88,6.82,;5.11,5.48,;5.91,9.53,;5.14,10.87,;7.45,9.53,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)C1CNC(=O)S1 |(-7,5.31,;-5.66,6.08,;-5.19,7.54,;-3.65,7.54,;-2.88,8.88,;-3.17,6.08,;-1.84,5.31,;-4.42,5.17,;-4.42,3.63,;-5.75,2.86,;-7.08,3.63,;-5.75,1.32,;-4.42,.55,;-3.08,1.32,;-1.62,.85,;-1.22,-.64,;.27,-1.04,;.67,-2.53,;2.15,-2.93,;2.55,-4.41,;4.04,-4.81,;4.44,-6.3,;5.93,-6.7,;3.35,-7.39,;3.75,-8.88,;1.86,-6.99,;.77,-8.08,;1.46,-5.5,;-.71,2.09,;.83,2.09,;1.6,.76,;1.84,3.25,;1.56,4.77,;.21,5.5,;-1.21,4.89,;-1.62,3.34,;-3.08,2.86,;3.38,3.25,;4.29,4.59,;5.75,4.02,;5.75,2.48,;7.08,1.71,;4.28,2.01,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(C(O)=O)c(C)o4)CCCn3c12 |(-7.87,5.31,;-6.54,6.08,;-6.06,7.54,;-4.52,7.54,;-3.75,8.88,;-4.04,6.08,;-2.71,5.31,;-5.29,5.17,;-5.29,3.63,;-6.62,2.86,;-7.96,3.63,;-6.62,1.32,;-5.29,.55,;-3.96,1.32,;-2.49,.85,;-2.09,-.64,;-.61,-1.04,;-.21,-2.53,;1.28,-2.93,;1.68,-4.41,;3.17,-4.81,;3.56,-6.3,;5.05,-6.7,;2.48,-7.39,;2.87,-8.88,;.99,-6.99,;-.1,-8.08,;.59,-5.5,;-1.59,2.09,;-.05,2.09,;.72,.76,;.96,3.25,;2.5,3.25,;3.27,4.59,;4.81,4.59,;5.33,6.06,;6.79,6.54,;7.11,8.05,;7.94,5.51,;4.04,6.96,;4.04,8.5,;2.8,6.05,;.69,4.77,;-.67,5.5,;-2.08,4.89,;-2.49,3.34,;-3.96,2.86,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2n(CC(O)=O)ccc12 |(-8.46,5.31,;-7.13,6.08,;-6.65,7.54,;-5.11,7.54,;-4.34,8.88,;-4.64,6.08,;-3.3,5.31,;-5.88,5.17,;-5.88,3.63,;-7.22,2.86,;-8.55,3.63,;-7.22,1.32,;-5.88,.55,;-4.55,1.32,;-3.08,.85,;-2.69,-.64,;-1.2,-1.04,;-.8,-2.53,;.69,-2.93,;1.09,-4.41,;2.57,-4.81,;2.97,-6.3,;4.46,-6.7,;1.88,-7.39,;2.28,-8.88,;.4,-6.99,;-.69,-8.08,;-0,-5.5,;-2.18,2.09,;-.64,2.09,;.13,.76,;.37,3.25,;.1,4.77,;-1.26,5.5,;-2.67,4.89,;-3.08,3.34,;-4.55,2.86,;1.91,3.25,;2.68,1.92,;4.22,1.92,;4.99,3.25,;4.22,4.59,;4.7,6.05,;6.24,6.05,;7.01,7.38,;8.55,7.38,;6.24,8.72,;3.45,6.96,;2.21,6.05,;2.68,4.59,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(Cl)n4)CCCn3c12 |(-7.72,4.97,;-6.39,5.74,;-5.91,7.21,;-4.37,7.21,;-3.6,8.54,;-3.89,5.74,;-2.56,4.97,;-5.14,4.84,;-5.14,3.3,;-6.47,2.53,;-7.81,3.3,;-6.47,.99,;-5.14,.22,;-3.81,.99,;-2.34,.51,;-1.94,-.98,;-.46,-1.38,;-.06,-2.86,;1.43,-3.26,;1.83,-4.75,;3.32,-5.15,;3.71,-6.64,;5.2,-7.03,;2.63,-7.72,;3.02,-9.21,;1.14,-7.33,;.05,-8.41,;.74,-5.84,;-1.44,1.76,;.1,1.76,;.87,.42,;1.11,2.92,;2.65,2.92,;3.74,4.01,;3.35,5.49,;4.42,6.64,;5.92,6.18,;6.32,4.7,;7.81,4.3,;5.23,3.61,;.84,4.43,;-.52,5.16,;-1.93,4.56,;-2.34,3,;-3.81,2.53,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cncs1 |(-6.46,5.31,;-5.12,6.08,;-4.65,7.54,;-3.11,7.54,;-2.34,8.88,;-2.63,6.08,;-1.3,5.31,;-3.88,5.17,;-3.88,3.63,;-5.21,2.86,;-6.54,3.63,;-5.21,1.32,;-3.88,.55,;-2.54,1.32,;-1.08,.85,;-.68,-.64,;.81,-1.04,;1.21,-2.53,;2.69,-2.93,;3.09,-4.41,;4.58,-4.81,;4.98,-6.3,;6.47,-6.7,;3.89,-7.39,;4.29,-8.88,;2.4,-6.99,;1.31,-8.08,;2,-5.5,;-.17,2.09,;1.37,2.09,;2.14,.76,;2.38,3.25,;2.1,4.77,;.75,5.5,;-.67,4.89,;-1.08,3.34,;-2.54,2.86,;3.92,3.25,;4.83,4.59,;6.29,4.02,;6.29,2.48,;4.82,2.01,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)-c1nn[nH]n1 |(-1.83,5.31,;-3.17,6.08,;-3.64,7.54,;-5.18,7.54,;-5.95,8.88,;-5.66,6.08,;-6.99,5.31,;-4.41,5.17,;-4.41,3.63,;-5.75,2.86,;-7.08,3.63,;-5.75,1.32,;-4.41,.55,;-3.08,1.32,;-1.61,.85,;-1.22,-.64,;.27,-1.04,;.67,-2.53,;2.16,-2.93,;2.56,-4.41,;4.04,-4.81,;4.44,-6.3,;5.93,-6.7,;3.35,-7.39,;3.75,-8.88,;1.87,-6.99,;.78,-8.08,;1.47,-5.5,;-.71,2.09,;.83,2.09,;1.6,.76,;1.84,3.25,;1.57,4.77,;.21,5.5,;-1.2,4.89,;-1.61,3.34,;-3.08,2.86,;3.33,2.85,;4.42,3.94,;5.91,3.54,;6.31,2.06,;5.22,.97,;3.73,1.37,;5.62,-.52,;4.71,-1.77,;5.62,-3.01,;7.08,-2.54,;7.08,-1,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)-c1nn[nH]n1 |(-3.44,5.31,;-4.77,6.08,;-5.24,7.54,;-6.78,7.54,;-7.55,8.88,;-7.26,6.08,;-8.59,5.31,;-6.01,5.17,;-6.01,3.63,;-7.35,2.86,;-8.68,3.63,;-7.35,1.32,;-6.01,.55,;-4.68,1.32,;-3.22,.85,;-2.82,-.64,;-1.33,-1.04,;-.93,-2.53,;.56,-2.93,;.95,-4.41,;2.44,-4.81,;2.84,-6.3,;4.33,-6.7,;1.75,-7.39,;2.15,-8.88,;.26,-6.99,;-.83,-8.08,;-.13,-5.5,;-2.31,2.09,;-.77,2.09,;-0,.76,;.24,3.25,;-.03,4.77,;-1.39,5.5,;-2.81,4.89,;-3.22,3.34,;-4.68,2.86,;1.73,2.85,;2.13,1.37,;3.61,.97,;4.7,2.06,;4.3,3.54,;2.82,3.94,;6.19,1.66,;6.67,.19,;8.21,.19,;8.68,1.66,;7.44,2.56,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ncc(s1)C(O)=O |(-2.54,5.31,;-3.87,6.08,;-4.35,7.54,;-5.89,7.54,;-6.66,8.88,;-6.36,6.08,;-7.7,5.31,;-5.12,5.17,;-5.12,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.12,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.45,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.07,-8.08,;.76,-5.5,;-1.41,2.09,;.12,2.09,;.89,.76,;1.14,3.25,;.86,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.1,1.39,;4.64,1.39,;5.16,2.87,;3.87,3.76,;6.62,3.34,;7.76,2.31,;6.94,4.85,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1nc(cs1)C(O)=O |(-.82,5.3,;-1.9,6.4,;-1.96,7.94,;-3.45,8.36,;-3.83,9.85,;-4.3,7.07,;-5.79,6.69,;-3.34,5.87,;-3.76,4.38,;-5.25,4,;-6.33,5.1,;-5.67,2.52,;-4.59,1.42,;-3.1,1.8,;-1.81,.95,;-1.83,-.59,;-3.16,-1.36,;-3.15,-2.9,;-4.47,-3.69,;-4.46,-5.23,;-3.11,-5.98,;-3.1,-7.52,;-1.76,-8.28,;-4.42,-8.31,;-4.41,-9.85,;-5.76,-7.55,;-7.09,-8.34,;-5.78,-6.01,;-.61,1.9,;.87,1.49,;1.26,-0,;2.16,2.33,;2.31,3.87,;1.2,4.93,;-.33,4.73,;-1.14,3.35,;-2.68,3.28,;3.49,1.55,;3.55,.01,;5.05,-.44,;5.89,.88,;4.93,2.08,;5.59,-1.89,;4.6,-3.07,;7.1,-2.14,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1csc(n1)C(O)=O |(-2.54,5.31,;-3.87,6.08,;-4.35,7.54,;-5.89,7.54,;-6.66,8.88,;-6.36,6.08,;-7.7,5.31,;-5.12,5.17,;-5.12,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.12,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.45,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.07,-8.08,;.76,-5.5,;-1.41,2.09,;.12,2.09,;.89,.76,;1.14,3.25,;.86,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.1,1.39,;4.64,1.39,;5.16,2.87,;3.87,3.76,;6.62,3.34,;7.76,2.31,;6.94,4.85,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |(5.53,-6.21,;3.99,-6.18,;3.06,-7.41,;1.6,-6.91,;.34,-7.8,;1.63,-5.37,;.4,-4.45,;3.1,-4.92,;3.6,-3.46,;5.12,-3.17,;6.13,-4.33,;5.62,-1.71,;4.61,-.55,;3.09,-.85,;1.86,.08,;1.89,1.62,;.57,2.41,;.6,3.95,;1.94,4.7,;1.97,6.24,;3.32,6.99,;3.34,8.53,;4.69,9.27,;2.02,9.32,;2.05,10.86,;.67,8.57,;-.65,9.36,;.65,7.03,;.6,-.8,;-.83,-.24,;-.94,1.3,;-2.17,-1.01,;-2.4,-2.53,;-1.35,-3.66,;.18,-3.55,;1.05,-2.28,;2.59,-2.3,;-3.44,-.14,;-4.82,-.8,;-6.1,.07,;-5.98,1.61,;-4.59,2.27,;-3.32,1.4,;-7.25,2.48,;-7.13,4.01,;-8.64,1.81,;-9.91,2.68,;-9.04,3.95,;-10.78,1.41,;-11.18,3.55,;-12.71,3.67,;-11.84,4.94,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2nnn(C)c12)C(O)=O |(-1.84,5.31,;-3.18,6.08,;-3.65,7.54,;-5.19,7.54,;-5.96,8.88,;-5.67,6.08,;-7,5.31,;-4.42,5.17,;-4.42,3.63,;-5.76,2.86,;-7.09,3.63,;-5.76,1.32,;-4.42,.55,;-3.09,1.32,;-1.63,.85,;-1.23,-.64,;.26,-1.04,;.66,-2.53,;2.15,-2.93,;2.55,-4.41,;4.03,-4.81,;4.43,-6.3,;5.92,-6.7,;3.34,-7.39,;3.74,-8.88,;1.85,-6.99,;.77,-8.08,;1.46,-5.5,;-.72,2.09,;.82,2.09,;1.59,.76,;1.83,3.25,;1.56,4.77,;.2,5.5,;-1.22,4.89,;-1.63,3.34,;-3.09,2.86,;3.32,2.85,;3.72,1.37,;5.21,.97,;6.29,2.06,;5.9,3.54,;6.73,4.84,;5.77,6.03,;4.33,5.48,;2.99,6.25,;4.41,3.94,;5.6,-.52,;4.51,-1.61,;7.09,-.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2OCOc12)C(O)=O |(71.14,-5.68,;69.67,-5.21,;69.19,-3.75,;67.65,-3.75,;66.74,-2.51,;67.18,-5.22,;65.72,-5.7,;68.43,-6.12,;68.44,-7.67,;67.11,-8.44,;65.78,-7.67,;67.11,-9.98,;68.44,-10.75,;69.77,-9.98,;71.25,-10.46,;71.73,-11.93,;73.23,-12.25,;73.71,-13.71,;75.22,-14.03,;75.69,-15.49,;77.19,-15.81,;77.67,-17.27,;79.18,-17.58,;76.64,-18.42,;77.12,-19.88,;75.13,-18.1,;74.1,-19.24,;74.66,-16.64,;72.16,-9.2,;73.72,-9.27,;74.33,-10.68,;74.74,-8.09,;74.45,-6.56,;73.08,-5.83,;71.66,-6.45,;71.25,-7.95,;69.77,-8.43,;76.22,-8.49,;77.3,-7.4,;78.78,-7.8,;79.19,-9.29,;78.1,-10.37,;78.19,-11.91,;76.75,-12.47,;75.78,-11.27,;76.61,-9.98,;79.87,-6.71,;79.47,-5.22,;81.36,-7.1,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2OCCOc12)C(O)=O |(-1.84,5.31,;-3.18,6.08,;-3.65,7.54,;-5.19,7.54,;-5.96,8.88,;-5.67,6.08,;-7,5.31,;-4.42,5.17,;-4.42,3.63,;-5.76,2.86,;-7.09,3.63,;-5.76,1.32,;-4.42,.55,;-3.09,1.32,;-1.63,.85,;-1.23,-.64,;.26,-1.04,;.66,-2.53,;2.15,-2.93,;2.55,-4.41,;4.03,-4.81,;4.43,-6.3,;5.92,-6.7,;3.34,-7.39,;3.74,-8.88,;1.85,-6.99,;.77,-8.08,;1.46,-5.5,;-.72,2.09,;.82,2.09,;1.59,.76,;1.83,3.25,;1.56,4.77,;.2,5.5,;-1.22,4.89,;-1.63,3.34,;-3.09,2.86,;3.32,2.85,;3.72,1.37,;5.21,.97,;6.29,2.06,;5.9,3.54,;6.98,4.63,;6.59,6.12,;5.1,6.52,;4.01,5.43,;4.41,3.94,;5.6,-.52,;4.51,-1.61,;7.09,-.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)cnc12)C(O)=O |(-2.41,5.31,;-3.74,6.08,;-4.22,7.54,;-5.76,7.54,;-6.53,8.88,;-6.23,6.08,;-7.57,5.31,;-4.99,5.17,;-4.99,3.63,;-6.32,2.86,;-7.66,3.63,;-6.32,1.32,;-4.99,.55,;-3.66,1.32,;-2.19,.85,;-1.79,-.64,;-.3,-1.04,;.09,-2.53,;1.58,-2.93,;1.98,-4.41,;3.47,-4.81,;3.87,-6.3,;5.35,-6.7,;2.78,-7.39,;3.18,-8.88,;1.29,-6.99,;.2,-8.08,;.89,-5.5,;-1.29,2.09,;.25,2.09,;1.02,.76,;1.27,3.25,;.99,4.77,;-.36,5.5,;-1.78,4.89,;-2.19,3.34,;-3.66,2.86,;2.75,2.85,;3.15,1.37,;4.64,.97,;5.73,2.06,;5.33,3.54,;6.17,4.84,;7.66,5.23,;5.2,6.03,;3.76,5.48,;3.84,3.94,;5.04,-.52,;3.95,-1.61,;6.53,-.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2cn(C)nc2c1 |(-3.14,5.31,;-4.47,6.08,;-4.95,7.54,;-6.49,7.54,;-7.26,8.88,;-6.96,6.08,;-8.3,5.31,;-5.72,5.17,;-5.72,3.63,;-7.05,2.86,;-8.39,3.63,;-7.05,1.32,;-5.72,.55,;-4.39,1.32,;-2.92,.85,;-2.52,-.64,;-1.03,-1.04,;-.64,-2.53,;.85,-2.93,;1.25,-4.41,;2.74,-4.81,;3.14,-6.3,;4.62,-6.7,;2.05,-7.39,;2.45,-8.88,;.56,-6.99,;-.53,-8.08,;.16,-5.5,;-2.02,2.09,;-.48,2.09,;.29,.76,;.54,3.25,;.26,4.77,;-1.09,5.5,;-2.51,4.89,;-2.92,3.34,;-4.39,2.86,;2.02,2.85,;2.5,1.39,;4.01,1.07,;4.48,-.4,;3.45,-1.54,;5.99,-.72,;5.04,2.21,;6.58,2.21,;7.05,3.68,;8.39,4.45,;5.81,4.58,;4.56,3.68,;3.05,4,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2cnn(C)c2c1 |(-2.47,5.31,;-3.81,6.08,;-4.28,7.54,;-5.82,7.54,;-6.59,8.88,;-6.3,6.08,;-7.63,5.31,;-5.05,5.17,;-5.05,3.63,;-6.39,2.86,;-7.72,3.63,;-6.39,1.32,;-5.05,.55,;-3.72,1.32,;-2.25,.85,;-1.86,-.64,;-.37,-1.04,;.03,-2.53,;1.52,-2.93,;1.92,-4.41,;3.4,-4.81,;3.8,-6.3,;5.29,-6.7,;2.71,-7.39,;3.11,-8.88,;1.23,-6.99,;.14,-8.08,;.83,-5.5,;-1.35,2.09,;.19,2.09,;.96,.76,;1.2,3.25,;.93,4.77,;-.43,5.5,;-1.84,4.89,;-2.25,3.34,;-3.72,2.86,;2.69,2.85,;3.17,1.39,;4.67,1.07,;5.15,-.4,;4.12,-1.54,;6.66,-.72,;5.7,2.21,;7.24,2.21,;7.72,3.68,;6.47,4.58,;6.47,6.12,;5.23,3.68,;3.72,4,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(=O)NS(C)(=O)=O |(-3.82,5.31,;-5.16,6.08,;-5.63,7.54,;-7.17,7.54,;-7.94,8.88,;-7.65,6.08,;-8.98,5.31,;-6.4,5.17,;-6.4,3.63,;-7.74,2.86,;-9.07,3.63,;-7.74,1.32,;-6.4,.55,;-5.07,1.32,;-3.6,.85,;-3.21,-.64,;-1.72,-1.04,;-1.32,-2.53,;.17,-2.93,;.57,-4.41,;2.05,-4.81,;2.45,-6.3,;3.94,-6.7,;1.36,-7.39,;1.76,-8.88,;-.12,-6.99,;-1.21,-8.08,;-.52,-5.5,;-2.7,2.09,;-1.16,2.09,;-.39,.76,;-.15,3.25,;-.42,4.77,;-1.78,5.5,;-3.19,4.89,;-3.6,3.34,;-5.07,2.86,;1.34,2.85,;1.74,1.37,;3.23,.97,;4.32,2.06,;3.92,3.54,;2.43,3.94,;5.01,4.63,;4.61,6.12,;6.49,4.23,;7.58,5.32,;9.07,4.92,;7.58,6.86,;6.25,6.09,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(=O)NS(=O)(=O)C1CC1 |(-4.57,5.31,;-5.9,6.08,;-6.38,7.54,;-7.92,7.54,;-8.69,8.88,;-8.39,6.08,;-9.73,5.31,;-7.15,5.17,;-7.15,3.63,;-8.48,2.86,;-9.81,3.63,;-8.48,1.32,;-7.15,.55,;-5.81,1.32,;-4.35,.85,;-3.95,-.64,;-2.46,-1.04,;-2.06,-2.53,;-.58,-2.93,;-.18,-4.41,;1.31,-4.81,;1.71,-6.3,;3.2,-6.7,;.62,-7.39,;1.02,-8.88,;-.87,-6.99,;-1.96,-8.08,;-1.27,-5.5,;-3.44,2.09,;-1.9,2.09,;-1.13,.76,;-.89,3.25,;-1.17,4.77,;-2.52,5.5,;-3.94,4.89,;-4.35,3.34,;-5.81,2.86,;.6,2.85,;1,1.37,;2.48,.97,;3.57,2.06,;3.17,3.54,;1.69,3.94,;4.26,4.63,;3.86,6.12,;5.75,4.23,;6.84,5.32,;6.44,6.81,;7.24,3.84,;8.33,4.92,;9.41,3.84,;9.81,5.32,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(Br)cc(OC=O)c1 |(-2.17,4.7,;-3.51,5.47,;-3.98,6.93,;-5.52,6.93,;-6.29,8.27,;-6,5.47,;-7.33,4.7,;-4.75,4.56,;-4.75,3.02,;-6.09,2.25,;-7.42,3.02,;-6.09,.71,;-4.75,-.06,;-3.42,.71,;-1.95,.24,;-1.56,-1.25,;-.07,-1.65,;.33,-3.14,;1.82,-3.54,;2.22,-5.02,;3.7,-5.42,;4.1,-6.91,;5.59,-7.31,;3.01,-8,;3.41,-9.49,;1.53,-7.6,;.44,-8.69,;1.13,-6.11,;-1.05,1.48,;-1.95,2.73,;-3.42,2.25,;.49,1.48,;1.26,.15,;1.26,2.82,;2.8,2.82,;3.57,4.15,;5.11,4.15,;5.88,5.48,;7.42,5.48,;5.11,6.82,;3.54,6.87,;2.77,8.2,;3.54,9.53,;2.77,10.87,;2.8,5.48,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(C[C@H]4CC[C@@H](CC4)C(O)=O)CCCn3c12 |r,wU:33.34,wD:36.41,(-2.88,5.31,;-4.21,6.08,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-5.46,5.17,;-5.46,3.63,;-6.79,2.86,;-8.13,3.63,;-6.79,1.32,;-5.46,.55,;-4.13,1.32,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-1.76,2.09,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;2.97,5.43,;4.06,6.52,;5.59,6.16,;5.95,4.63,;4.86,3.54,;6.68,7.25,;6.28,8.74,;8.17,6.85,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-4.13,2.86,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NCc3cccc(c3)C(O)=O)n(CCN3CCOCC3)c12 |(-2.56,4.9,;-3.89,5.67,;-4.37,7.14,;-5.91,7.14,;-6.68,8.47,;-6.38,5.67,;-7.72,4.9,;-5.14,4.77,;-5.14,3.23,;-6.47,2.46,;-7.81,3.23,;-6.47,.92,;-5.14,.15,;-3.8,.92,;-2.34,.44,;-1.94,-1.05,;-.45,-1.45,;-.06,-2.93,;1.43,-3.33,;1.83,-4.82,;3.32,-5.22,;3.72,-6.7,;5.2,-7.1,;2.63,-7.79,;3.03,-9.28,;1.14,-7.4,;.05,-8.48,;.74,-5.91,;-1.43,1.69,;.11,1.69,;.88,.35,;.88,3.02,;2.42,3.02,;3.19,4.35,;2.42,5.69,;3.19,7.02,;4.73,7.02,;5.55,5.69,;4.73,4.35,;7.09,5.69,;7.86,7.02,;7.86,4.35,;-2.34,2.93,;-1.94,4.42,;-.45,4.82,;-.06,6.31,;1.43,6.7,;1.83,8.19,;.74,9.28,;-.75,8.88,;-1.14,7.4,;-3.8,2.46,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NCc3ccc(cc3)C(O)=O)n(CCN3CCOCC3)c12 |(-2.17,4.7,;-3.51,5.47,;-3.98,6.93,;-5.52,6.93,;-6.29,8.27,;-6,5.47,;-7.33,4.7,;-4.75,4.56,;-4.75,3.02,;-6.09,2.25,;-7.42,3.02,;-6.09,.71,;-4.75,-.06,;-3.42,.71,;-1.95,.24,;-1.56,-1.25,;-.07,-1.65,;.33,-3.14,;1.82,-3.54,;2.22,-5.02,;3.7,-5.42,;4.1,-6.91,;5.59,-7.31,;3.01,-8,;3.41,-9.49,;1.53,-7.6,;.44,-8.69,;1.13,-6.11,;-1.05,1.48,;.49,1.48,;1.26,.15,;1.26,2.82,;2.8,2.82,;3.57,4.15,;5.11,4.15,;5.88,5.48,;5.14,6.87,;3.57,6.82,;2.8,5.48,;5.91,8.2,;5.14,9.53,;7.45,8.2,;-1.95,2.73,;-1.56,4.22,;-.07,4.62,;.33,6.1,;1.82,6.5,;2.22,7.99,;1.13,9.08,;-.36,8.68,;-.76,7.19,;-3.42,2.25,)|
CN(Cc1ccc(cc1)C(O)=O)C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1CCN1CCOCC1 |(.49,4.15,;1.26,2.82,;2.8,2.82,;3.57,4.15,;5.11,4.15,;5.88,5.48,;5.14,6.87,;3.57,6.82,;2.8,5.48,;5.91,8.2,;5.14,9.53,;7.45,8.2,;.49,1.48,;1.26,.15,;-1.05,1.48,;-1.95,.24,;-1.56,-1.25,;-.07,-1.65,;.33,-3.14,;1.82,-3.54,;2.22,-5.02,;3.7,-5.42,;4.1,-6.91,;5.59,-7.31,;3.01,-8,;3.41,-9.49,;1.53,-7.6,;.44,-8.69,;1.13,-6.11,;-3.42,.71,;-4.75,-.06,;-6.09,.71,;-6.09,2.25,;-7.42,3.02,;-4.75,3.02,;-4.75,4.56,;-3.51,5.47,;-2.17,4.7,;-3.98,6.93,;-5.52,6.93,;-6.29,8.27,;-6,5.47,;-7.33,4.7,;-3.42,2.25,;-1.95,2.73,;-1.56,4.22,;-.07,4.62,;.33,6.1,;1.82,6.5,;2.22,7.99,;1.13,9.08,;-.36,8.68,;-.76,7.19,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1nn(C)c2cc(ccc12)C(O)=O |(-8.48,5.31,;-7.15,6.08,;-6.67,7.54,;-5.13,7.54,;-4.36,8.88,;-4.66,6.08,;-3.32,5.31,;-5.9,5.17,;-5.9,3.63,;-7.23,2.86,;-8.57,3.63,;-7.23,1.32,;-5.9,.55,;-4.57,1.32,;-3.1,.85,;-2.7,-.64,;-1.22,-1.04,;-.82,-2.53,;.67,-2.93,;1.07,-4.41,;2.56,-4.81,;2.95,-6.3,;4.44,-6.7,;1.87,-7.39,;2.26,-8.88,;.38,-6.99,;-.71,-8.08,;-.02,-5.5,;-2.2,2.09,;-.66,2.09,;.11,.76,;.35,3.25,;.08,4.77,;-1.28,5.5,;-2.69,4.89,;-3.1,3.34,;-4.57,2.86,;1.84,2.85,;2.32,1.39,;3.86,1.39,;4.63,.06,;4.33,2.85,;5.74,3.48,;5.9,5.01,;4.66,5.92,;3.25,5.29,;3.09,3.76,;7.31,5.64,;8.55,4.73,;7.47,7.17,)|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COC(C)(C)O5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccccc4OC[C@H]4COC(C)(C)O4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6ccc(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)nc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCC(F)(COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:6.5,37.73,21.21,29.30,wD:24.28,(15.01,6.11,;13.52,5.71,;13.13,4.22,;11.64,3.82,;10.55,4.91,;9.06,4.51,;8.66,3.03,;7.18,2.63,;4.03,5.47,;3.26,4.13,;1.72,4.13,;.95,2.8,;1.72,1.47,;.95,.13,;-.59,.13,;-1.36,1.47,;-.59,2.8,;-1.36,4.13,;-2.9,4.13,;-3.67,2.8,;-2.9,1.47,;-5.21,2.8,;-5.98,1.47,;-7.52,1.47,;-8.29,2.8,;-7.52,4.13,;-5.98,4.13,;-9.83,2.8,;-10.6,1.47,;-12.14,1.47,;-12.91,.13,;-14.45,.13,;-15.22,1.47,;-14.45,2.8,;-12.91,2.8,;3.26,1.47,;4.03,.13,;4.03,-1.41,;5.36,-2.18,;5.36,-3.72,;4.03,-4.49,;4.03,-6.03,;5.36,-6.8,;6.69,-6.03,;8.16,-6.5,;9.06,-5.26,;8.16,-4.01,;8.56,-2.53,;7.47,-1.44,;5.98,-1.04,;7.87,.05,;6.78,1.14,;9.35,.45,;9.75,1.94,;10.44,-.64,;11.93,-.24,;10.04,-2.13,;11.13,-3.22,;6.69,-4.49,;10.6,-5.26,;11.37,-6.59,;12.91,-6.59,;13.68,-5.26,;15.22,-5.26,;12.91,-3.92,;11.37,-3.92,;2.69,-2.18,;1.36,-1.41,;2.69,-3.72,;4.03,2.8,;10.95,6.4,;12.44,6.8,)|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCC(CC4)OC[C@H]4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4(COC[C@H]5COCCO5)CCC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CC(COC[C@H]5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CC(COC[C@@H]5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@@H](CC4)OCC4COCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:36.72,6.5,21.21,wD:24.28,(14.66,6.11,;13.17,5.71,;12.77,4.22,;11.28,3.82,;10.19,4.91,;8.71,4.51,;8.31,3.03,;6.82,2.63,;3.67,5.47,;2.9,4.13,;1.36,4.13,;.59,2.8,;1.36,1.47,;.59,.13,;-.95,.13,;-1.72,1.47,;-.95,2.8,;-1.72,4.13,;-3.26,4.13,;-4.03,2.8,;-3.26,1.47,;-5.57,2.8,;-6.34,1.47,;-7.88,1.47,;-8.65,2.8,;-7.88,4.13,;-6.34,4.13,;-10.19,2.8,;-10.96,1.47,;-12.5,1.47,;-13.4,.22,;-14.87,.7,;-14.87,2.24,;-13.4,2.71,;2.9,1.47,;3.67,.13,;3.67,-1.41,;5.01,-2.18,;5.01,-3.72,;3.67,-4.49,;3.67,-6.03,;5.01,-6.8,;6.34,-6.03,;7.8,-6.5,;8.71,-5.26,;7.8,-4.01,;8.2,-2.53,;7.11,-1.44,;5.63,-1.04,;7.51,.05,;6.42,1.14,;9,.45,;9.4,1.94,;10.09,-.64,;11.58,-.24,;9.69,-2.13,;10.78,-3.22,;6.34,-4.49,;10.25,-5.26,;11.02,-6.59,;12.56,-6.59,;13.33,-5.26,;14.87,-5.26,;12.56,-3.92,;11.02,-3.92,;2.34,-2.18,;1,-1.41,;2.34,-3.72,;3.67,2.8,;10.59,6.4,;12.08,6.8,)|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@@H]4CC[C@@H](CC4)OCC4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:37.73,6.5,21.21,24.28,(15.01,6.11,;13.52,5.71,;13.13,4.22,;11.64,3.82,;10.55,4.91,;9.06,4.51,;8.66,3.03,;7.18,2.63,;4.03,5.47,;3.26,4.13,;1.72,4.13,;.95,2.8,;1.72,1.47,;.95,.13,;-.59,.13,;-1.36,1.47,;-.59,2.8,;-1.36,4.13,;-2.9,4.13,;-3.67,2.8,;-2.9,1.47,;-5.21,2.8,;-5.98,4.13,;-7.52,4.13,;-8.29,2.8,;-7.52,1.47,;-5.98,1.47,;-9.83,2.8,;-10.6,1.47,;-12.14,1.47,;-12.91,.13,;-14.45,.13,;-15.22,1.47,;-14.45,2.8,;-12.91,2.8,;3.26,1.47,;4.03,.13,;4.03,-1.41,;5.36,-2.18,;5.36,-3.72,;4.03,-4.49,;4.03,-6.03,;5.36,-6.8,;6.69,-6.03,;8.16,-6.5,;9.06,-5.26,;8.16,-4.01,;8.56,-2.53,;7.47,-1.44,;5.98,-1.04,;7.87,.05,;6.78,1.14,;9.35,.45,;9.75,1.94,;10.44,-.64,;11.93,-.24,;10.04,-2.13,;11.13,-3.22,;6.69,-4.49,;10.6,-5.26,;11.37,-6.59,;12.91,-6.59,;13.68,-5.26,;15.22,-5.26,;12.91,-3.92,;11.37,-3.92,;2.69,-2.18,;1.36,-1.41,;2.69,-3.72,;4.03,2.8,;10.95,6.4,;12.44,6.8,)|
CN1CCN(C[C@@H]2COc3ccc(OCc4cncc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4ccc(OC[C@@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(C6CCCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r|
COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(C[C@@H]6COCCO6)sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)c(C)c4Cl)n1 |r|
COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(C[C@H]6COCCO6)sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)c(C)c4Cl)n1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCO[C@@H](COCC5COCCO5)C4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@H]5COCCO5)c4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)-c4cccc(OC[C@@H]5COCCO5)c4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4nccc(n4)-c4ccc(OC[C@H]5COCCO5)cc4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@@H]5COCCO5)n4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(OC[C@H]5COCCO5)n4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)N4CCN(CC4)S(=O)(=O)CC4COCCO4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r|
COc1ccccc1-c1nccc(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)C2=COCCO2)c(C)c4Cl)n1 |r,t:60|
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CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)C4=CC[C@@](F)(COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(C6=CCCC6)c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)C(O)=O)c3)CC1 |r,t:22,51|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[C@@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:38.74,6.5,24.25,28.28,wD:21.21,(15.99,5.12,;14.45,5.12,;13.68,3.78,;12.14,3.78,;11.37,5.12,;9.83,5.12,;9.06,3.78,;4.65,2.6,;.22,3.78,;.22,2.24,;-1.12,1.47,;-1.12,-.07,;.22,-.84,;-1.12,-1.61,;-2.6,-2.01,;-3.69,-.92,;-3.3,.57,;-4.38,1.66,;-5.87,1.26,;-6.27,-.23,;-5.18,-1.32,;-7.76,.17,;-8.16,1.66,;-9.64,2.06,;-10.73,.97,;-12.22,1.37,;-12.22,2.91,;-13.71,3.31,;-14.11,4.79,;-13.02,5.88,;-13.42,7.37,;-14.9,7.77,;-15.99,6.68,;-15.59,5.19,;-10.33,-.52,;-8.85,-.92,;1.55,-.07,;2.88,-.84,;2.88,-2.38,;4.22,-3.15,;4.22,-4.69,;2.88,-5.46,;2.88,-7,;4.22,-7.77,;5.55,-7,;7.02,-7.47,;7.92,-6.23,;7.02,-4.98,;9.83,-2.17,;8.5,-1.4,;7.17,-2.17,;8.5,.14,;7.17,.91,;9.83,.91,;9.83,2.45,;11.17,.14,;12.5,.91,;11.17,-1.4,;12.5,-2.17,;5.55,-5.46,;9.46,-6.23,;10.23,-7.56,;11.77,-7.56,;12.54,-6.23,;14.08,-6.23,;11.77,-4.89,;10.23,-4.89,;1.55,-3.15,;.22,-2.38,;1.55,-4.69,;1.55,1.47,;12.14,6.45,;13.68,6.45,)|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@@H]4CC[C@H](COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:38.74,6.5,21.21,24.25,wD:28.28,(15.01,5.44,;13.52,5.04,;13.13,3.55,;11.64,3.16,;10.55,4.24,;9.06,3.85,;8.66,2.36,;7.18,1.96,;4.03,4.8,;3.26,3.47,;1.72,3.47,;.95,2.13,;1.72,.8,;.95,-.54,;-.59,-.54,;-1.36,.8,;-.59,2.13,;-1.36,3.47,;-2.9,3.47,;-3.67,2.13,;-2.9,.8,;-5.21,2.13,;-5.98,3.47,;-7.52,3.47,;-8.29,2.13,;-9.83,2.13,;-10.6,3.47,;-12.14,3.47,;-12.91,4.8,;-12.14,6.13,;-12.91,7.47,;-14.45,7.47,;-15.22,6.13,;-14.45,4.8,;-7.52,.8,;-5.98,.8,;3.26,.8,;4.03,-.54,;4.03,-2.08,;5.36,-2.85,;5.36,-4.39,;4.03,-5.16,;4.03,-6.7,;5.36,-7.47,;6.69,-6.7,;8.16,-7.17,;9.06,-5.93,;8.16,-4.68,;8.56,-3.19,;7.47,-2.1,;5.98,-2.5,;7.87,-.62,;6.78,.47,;9.35,-.22,;9.75,1.27,;10.44,-1.31,;11.93,-.91,;10.04,-2.79,;11.13,-3.88,;6.69,-5.16,;10.6,-5.93,;11.37,-7.26,;12.91,-7.26,;13.68,-5.93,;15.22,-5.93,;12.91,-4.59,;11.37,-4.59,;2.69,-2.85,;1.36,-2.08,;2.69,-4.39,;4.03,2.13,;10.95,5.73,;12.44,6.13,)|
CN1CCN(C[C@@H]2COc3ccc(OCc4ccnc(n4)[C@H]4CC[C@H](COC[C@H]5COCCO5)CC4)c(C[C@@H](Oc4ncnc5sc(c(-c6c(C)c(Cl)c(O2)c(Cl)c6C)c45)-c2ccc(F)cc2)C(O)=O)c3)CC1 |r,wU:38.74,6.5,24.25,wD:21.21,28.28,(15.01,5.44,;13.52,5.04,;13.13,3.55,;11.64,3.16,;10.55,4.24,;9.06,3.85,;8.66,2.36,;7.18,1.96,;4.03,4.8,;3.26,3.47,;1.72,3.47,;.95,2.13,;1.72,.8,;.95,-.54,;-.59,-.54,;-1.36,.8,;-.59,2.13,;-1.36,3.47,;-2.9,3.47,;-3.67,2.13,;-2.9,.8,;-5.21,2.13,;-5.98,3.47,;-7.52,3.47,;-8.29,2.13,;-9.83,2.13,;-10.6,3.47,;-12.14,3.47,;-12.91,4.8,;-12.14,6.13,;-12.91,7.47,;-14.45,7.47,;-15.22,6.13,;-14.45,4.8,;-7.52,.8,;-5.98,.8,;3.26,.8,;4.03,-.54,;4.03,-2.08,;5.36,-2.85,;5.36,-4.39,;4.03,-5.16,;4.03,-6.7,;5.36,-7.47,;6.69,-6.7,;8.16,-7.17,;9.06,-5.93,;8.16,-4.68,;8.56,-3.19,;7.47,-2.1,;5.98,-2.5,;7.87,-.62,;6.78,.47,;9.35,-.22,;9.75,1.27,;10.44,-1.31,;11.93,-.91,;10.04,-2.79,;11.13,-3.88,;6.69,-5.16,;10.6,-5.93,;11.37,-7.26,;12.91,-7.26,;13.68,-5.93,;15.22,-5.93,;12.91,-4.59,;11.37,-4.59,;2.69,-2.85,;1.36,-2.08,;2.69,-4.39,;4.03,2.13,;10.95,5.73,;12.44,6.13,)|
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COc1ccccc1-c1ccc(OC[C@@H]2COCCO2)c(COc2ccc3OC[C@@H](CN4CCN(C)CC4)Oc4c(Cl)c(C)c(-c5c(sc6ncnc(O[C@H](Cc2c3)C(O)=O)c56)-c2ccc(F)cc2)c(C)c4Cl)n1 |r|
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1
NS(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1ccccc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1ccccc1Cl
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1cccc(Cl)c1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCc1ccc(Cl)cc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)NCC1CCCCC1
CN(C)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1Br
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(Br)c1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1Br
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc2ccccc12
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc2ccccc2c1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1-c1ccccc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(c1)-c1ccccc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccccc1C(F)(F)F
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Cl)cc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Cc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
CC(C)c1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
COc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)C#N
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(c1)C#N
CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1
Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)c1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc(C)c1Cl
CC(C)CN(c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
Cc1cc(Oc2ccc(cc2)N(C2C=CC=C2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl |c:14,16|
Cc1cc(Oc2ccc(cc2)N(Cc2ccccc2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl
CC(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12
COC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N(CC(C)C)c1ccc(Br)cc1
COC(=O)c1cc(c2ccccc2c1OC)S(=O)(=O)N(CC(C)C)c1ccc(Br)cc1
COc1c(cc(c2ccccc12)S(=O)(=O)N(CC(C)C)c1ccc(Br)cc1)C(O)=O
OC(=O)C1CN(c2ccccc2C1)S(=O)(=O)c1ccc(Br)cc1
OC(=O)C1CN(c2ccccc2C1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)C1CN(c2ccccc2C1)S(=O)(=O)c1ccc2ccccc2c1
OC(=O)C1CN(c2ccccc2C1)S(=O)(=O)c1ccc(F)cc1
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CC(Cc3ccccc23)C(O)=O)cc(C)c1Cl
OC(=O)c1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(Br)cc1
OC(=O)c1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc2N(CCCc2c1)S(=O)(=O)c1ccc2ccccc2c1
OC(=O)c1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(F)cc1
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCCc3cc(ccc23)C(O)=O)cc(C)c1Cl
CC(C)CN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccccc1
CC(C)CN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc2ccccc2c1
CC(C)CN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(F)cc1
CC(C)CN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccccc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(F)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Br)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)cc(C)c2)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1
OC(=O)c1ccc(cc1O)N(C1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
OC(=O)c1ccc(cc1O)N(C1CCCC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1O)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
OC(=O)c1ccc(cc1O)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl
OC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1O
CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccccc1
CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc2ccccc2c1
CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc(F)cc1
CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc(C)cc1
CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccccc1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc2ccccc2c1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1
COc1ccc(cc1C(O)=O)N(CC(C)C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
COC(=O)c1ccc(cc1O)N(CC(C)C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(C(=O)Oc2ccccc2)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(C(=O)OCOC(C)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(C#N)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(cc1)-c1nn[nH]n1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(C(=O)NO)c(O)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC(C)CN(c1ccc(cc1)-c1cc(=O)[nH]o1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
CS(=O)(=O)NC(=O)c1ccc(cc1O)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Oc1cc(ccc1C(=O)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Cc1cc(CCCN(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(O)c(c2)C(O)=O)cc(C)c1Cl
Cc1cc(CCCNc2ccc(C(O)=O)c(O)c2)cc(C)c1Cl
OC(=O)Cc1cn(CCCOc2ccc3ccccc3c2)c2ccccc12
OC(=O)Cc1cn(CCCOc2cccc3ccccc23)c2ccccc12
Cc1cc(OCCCn2cc(CC(O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCn2cc(CC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
OC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc12
OC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
OC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
OC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc12
OC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
CC(COc1cc(C)c(Cl)c(C)c1)Cc1cn(CCC(O)=O)c2ccccc12
Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc12
Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cccc(Cl)c23)cc(C)c1Cl
CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
CS(=O)(=O)NC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc12
CS(=O)(=O)NC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Cc1cc(OCCCc2cn(CC(=O)NS(C)(=O)=O)c3cccc(Cl)c23)cc(C)c1Cl
CS(=O)(=O)NC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
Cc1cc(OCCCc2c(C#N)n(CC(O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C#N)n(CC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(C=CC(O)=O)c3ccccc23)cc(C)c1Cl |w:12.12|
Cc1cc(OCCCc2cn(CCS(O)(=O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCn2cc(CC(O)=O)c3ccccc23)cc(C)c1Cl
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccccc3OC=O)c12 |(-1.99,-1.58,;-3.33,-2.35,;-3.8,-3.82,;-5.34,-3.82,;-5.82,-2.35,;-7.15,-1.58,;-4.57,-1.45,;-4.57,.09,;-5.91,.86,;-5.91,2.4,;-4.57,3.17,;-3.24,2.4,;-1.77,2.88,;-1.37,4.37,;.11,4.77,;.51,6.25,;2,6.65,;3.09,5.56,;2.69,4.08,;3.78,2.99,;3.38,1.5,;5.27,3.38,;6.35,2.3,;5.66,4.87,;7.15,5.27,;4.58,5.96,;-.87,1.63,;.67,1.63,;-1.77,.39,;-1.37,-1.1,;.11,-1.5,;1.2,-.41,;2.69,-.81,;3.09,-2.3,;2,-3.38,;.47,-3.03,;-.62,-4.11,;-2.1,-3.72,;-3.19,-4.8,;-3.24,.86,)|
Cc1nn(Cc2ncccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.2,-1.67,;-1.54,-2.44,;-2.01,-3.9,;-3.55,-3.9,;-4.32,-5.23,;-5.86,-5.23,;-6.63,-3.9,;-8.17,-3.9,;-8.94,-5.23,;-8.17,-6.57,;-6.63,-6.57,;-4.03,-2.44,;-5.36,-1.67,;-2.78,-1.53,;-2.78,.01,;-4.12,.78,;-4.12,2.32,;-2.78,3.09,;-1.45,2.32,;.02,2.8,;.42,4.28,;1.9,4.68,;2.3,6.17,;3.79,6.57,;4.88,5.48,;4.48,3.99,;5.57,2.9,;5.17,1.41,;7.06,3.3,;8.14,2.21,;7.45,4.79,;8.94,5.19,;6.37,5.88,;.92,1.55,;2.46,1.55,;.02,.3,;.42,-1.18,;1.9,-1.58,;2.3,-3.07,;3.79,-3.47,;1.21,-4.16,;-1.45,.78,)|
Cc1cc(OCCCc2c(n(Cc3ccc(cn3)C(O)=O)c3c(Br)cccc23)C(F)(F)F)cc(C)c1Cl
Cc1cc(OCCCc2cn(CC(O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CC(O)=O)c3cccc(Cl)c23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(O)=O)c3cccc(Cl)c23)cc(C)c1Cl
CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2cccnc2)cc(C)c1Cl
Cc1cc(OCCCc2c(C#N)n(CCC(O)=O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C#N)n(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
CC(C(O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
CCC(C(O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Cc1cc(OCCCc2cn(C(C(O)=O)c3ccccc3)c3ccccc23)cc(C)c1Cl
CC(CC(O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Cc1cc(OCCCc2cn(C(CC(O)=O)c3ccccc3)c3ccccc23)cc(C)c1Cl
CC(C(=O)NS(C)(=O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
CCC(C(=O)NS(C)(=O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Cc1nn(Cc2cccnc2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12 |(-.2,-1.67,;-1.54,-2.44,;-2.01,-3.9,;-3.55,-3.9,;-4.32,-5.23,;-5.86,-5.23,;-6.63,-6.57,;-8.17,-6.57,;-8.94,-5.23,;-8.17,-3.9,;-6.63,-3.9,;-4.03,-2.44,;-5.36,-1.67,;-2.78,-1.53,;-2.78,.01,;-4.12,.78,;-4.12,2.32,;-2.78,3.09,;-1.45,2.32,;.02,2.8,;.42,4.28,;1.9,4.68,;2.3,6.17,;3.79,6.57,;4.88,5.48,;4.48,3.99,;5.57,2.9,;5.17,1.41,;7.06,3.3,;8.14,2.21,;7.45,4.79,;8.94,5.19,;6.37,5.88,;.92,1.55,;2.46,1.55,;.02,.3,;.42,-1.18,;1.9,-1.58,;2.99,-.49,;4.48,-.89,;4.88,-2.38,;3.8,-3.52,;2.3,-3.07,;4.2,-5.01,;3.11,-6.1,;5.69,-5.41,;-1.45,.78,)|
Cc1cc(OCCCc2cn(CC(O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
OC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(Br)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2ccncc2)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)Cc3ccccc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)C3CC3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)cc3)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(C)c(Br)ccc23)cc(C)c1Cl
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(O)=O)c12 |(-1.99,-3,;-3.33,-3.77,;-3.8,-5.23,;-5.34,-5.23,;-5.82,-3.77,;-7.15,-3,;-4.57,-2.86,;-4.57,-1.32,;-5.91,-.55,;-5.91,.99,;-4.57,1.76,;-3.24,.99,;-1.77,1.46,;-1.37,2.95,;.11,3.35,;.51,4.84,;2,5.23,;3.09,4.14,;2.69,2.66,;3.78,1.57,;3.38,.08,;5.27,1.97,;6.35,.88,;5.66,3.45,;7.15,3.85,;4.58,4.54,;-.87,.22,;.67,.22,;-1.77,-1.03,;-1.3,-2.49,;.21,-2.81,;.68,-4.28,;1.24,-1.67,;-3.24,-.55,)|
CN(C)CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-6.25,-7.23,;-7.02,-5.9,;-8.56,-5.9,;-6.25,-4.57,;-4.71,-4.57,;-3.94,-3.23,;-2.4,-3.23,;-1.92,-1.77,;-.59,-1,;-3.17,-.86,;-4.41,-1.77,;-5.75,-1,;-3.17,.68,;-4.5,1.45,;-4.5,2.99,;-3.17,3.76,;-1.83,2.99,;-.37,3.46,;.03,4.95,;1.52,5.35,;1.92,6.84,;3.4,7.23,;4.49,6.15,;4.09,4.66,;5.18,3.57,;4.78,2.08,;6.67,3.97,;7.76,2.88,;7.07,5.46,;8.56,5.85,;5.98,6.54,;.54,2.22,;2.08,2.22,;-.37,.97,;.03,-.52,;1.52,-.92,;1.92,-2.4,;3.4,-2.8,;.83,-3.49,;-1.83,1.45,)|
Cc1cc(OCCCc2cn(CCC(O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCc2cn(CC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1c(c(COc2ccccc2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(O)=O)c12 |(-1.37,-2.33,;-2.7,-3.1,;-3.95,-2.2,;-5.2,-3.1,;-6.68,-2.7,;-7.77,-3.79,;-9.26,-3.39,;-9.58,-1.89,;-11.05,-1.41,;-12.19,-2.44,;-11.87,-3.95,;-10.4,-4.42,;-4.72,-4.57,;-3.18,-4.57,;-2.41,-5.9,;-3.95,-.66,;-5.28,.11,;-5.28,1.65,;-3.95,2.42,;-2.62,1.65,;-1.15,2.13,;-.75,3.62,;.73,4.01,;1.13,5.5,;2.62,5.9,;3.71,4.81,;3.31,3.32,;4.4,2.24,;4,.75,;5.89,2.63,;6.98,1.55,;6.29,4.12,;7.77,4.52,;5.2,5.21,;-.25,.88,;-1.15,-.36,;-.75,-1.85,;.73,-2.25,;1.82,-1.16,;3.31,-1.56,;1.42,.33,;-2.62,.11,)|
Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(O)=O)c12
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2cc[nH]n2)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2cn[nH]c2)cc(C)c1Cl
Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(Cl)ccc23)cc(C)c1Cl
COc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)CCn2cc(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)cc23)cc1
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CC(=O)NS(C)(=O)=O
Cc1cc(OCCCc2cn(CCC(O)=O)c3c(C)c(Cl)ccc23)cc(C)c1Cl
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccnn3C)c2n1CC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cnccc3C)c2n1CC(O)=O
Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(O)=O)c12 |(-1.99,-3,;-3.33,-3.77,;-3.8,-5.23,;-5.34,-5.23,;-5.82,-3.77,;-7.15,-3,;-4.57,-2.86,;-4.57,-1.32,;-5.91,-.55,;-5.91,.99,;-4.57,1.76,;-3.24,.99,;-1.77,1.46,;-1.37,2.95,;.11,3.35,;.51,4.84,;2,5.23,;3.09,4.14,;2.69,2.66,;3.78,1.57,;3.38,.08,;5.27,1.97,;6.35,.88,;5.66,3.45,;7.15,3.85,;4.58,4.54,;-.87,.22,;.67,.22,;-1.77,-1.03,;-1.3,-2.49,;.21,-2.81,;.68,-4.28,;1.24,-1.67,;-3.24,-.55,)|
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccncc3C)c2n1CC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccn3C)c2n1CC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(Br)c2n1CCC(O)=O
Cc1nn(CCc2ccccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.2,-.33,;-1.54,-1.1,;-2.01,-2.57,;-3.55,-2.57,;-4.32,-3.9,;-5.86,-3.9,;-6.63,-5.23,;-8.17,-5.23,;-8.94,-6.57,;-8.17,-7.9,;-6.63,-7.9,;-5.86,-6.57,;-4.03,-1.1,;-5.36,-.33,;-2.78,-.2,;-2.78,1.34,;-4.12,2.11,;-4.12,3.65,;-2.78,4.42,;-1.45,3.65,;.02,4.13,;.42,5.62,;1.9,6.02,;2.3,7.5,;3.79,7.9,;4.88,6.81,;4.48,5.32,;5.57,4.24,;5.17,2.75,;7.06,4.63,;8.14,3.55,;7.45,6.12,;8.94,6.52,;6.37,7.21,;.92,2.88,;2.46,2.88,;.02,1.64,;.42,.15,;1.9,-.25,;2.3,-1.74,;3.79,-2.13,;1.21,-2.83,;-1.45,2.11,)|
Cc1nn(Cc2ccncc2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.2,-1.67,;-1.54,-2.44,;-2.01,-3.9,;-3.55,-3.9,;-4.32,-5.23,;-5.86,-5.23,;-6.63,-3.9,;-8.17,-3.9,;-8.94,-5.23,;-8.17,-6.57,;-6.63,-6.57,;-4.03,-2.44,;-5.36,-1.67,;-2.78,-1.53,;-2.78,.01,;-4.12,.78,;-4.12,2.32,;-2.78,3.09,;-1.45,2.32,;.02,2.8,;.42,4.28,;1.9,4.68,;2.3,6.17,;3.79,6.57,;4.88,5.48,;4.48,3.99,;5.57,2.9,;5.17,1.41,;7.06,3.3,;8.14,2.21,;7.45,4.79,;8.94,5.19,;6.36,5.88,;.92,1.55,;2.46,1.55,;.02,.3,;.42,-1.18,;1.9,-1.58,;2.3,-3.07,;3.79,-3.47,;1.21,-4.16,;-1.45,.78,)|
Cc1cc(OCCCc2c(n(Cc3cccc(c3)C(O)=O)c3c(Br)cccc23)C(F)(F)F)cc(C)c1Cl
Cc1cc(OCCCc2c(n(Cc3ccc(cc3)C(O)=O)c3c(Br)cccc23)C(F)(F)F)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3ccncc3)c12 |(-3.13,-1.67,;-4.47,-2.44,;-4.94,-3.91,;-6.48,-3.91,;-7.25,-5.24,;-6.96,-2.44,;-8.29,-1.67,;-5.71,-1.54,;-5.71,0,;-7.05,.77,;-7.05,2.31,;-5.71,3.08,;-4.38,2.31,;-2.92,2.79,;-2.52,4.27,;-1.03,4.67,;-.63,6.16,;.86,6.56,;1.95,5.47,;1.55,3.98,;2.64,2.89,;2.24,1.41,;4.12,3.29,;5.21,2.2,;4.52,4.78,;6.01,5.18,;3.43,5.87,;-2.01,1.54,;-.47,1.54,;-2.92,.3,;-2.52,-1.19,;-1.03,-1.59,;.06,-.5,;1.55,-.9,;1.95,-2.39,;.86,-3.48,;-.63,-3.08,;1.25,-4.96,;.17,-6.05,;2.74,-5.36,;3.83,-4.27,;2.74,-3.19,;4.23,-2.79,;5.32,-4.67,;5.72,-6.16,;7.2,-6.56,;8.29,-5.47,;7.9,-3.98,;6.41,-3.58,;-4.38,.77,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3cccnc3)c12 |(-3.13,-1.67,;-4.47,-2.44,;-4.94,-3.91,;-6.48,-3.91,;-7.25,-5.24,;-6.96,-2.44,;-8.29,-1.67,;-5.71,-1.54,;-5.71,0,;-7.05,.77,;-7.05,2.31,;-5.71,3.08,;-4.38,2.31,;-2.92,2.79,;-2.52,4.27,;-1.03,4.67,;-.63,6.16,;.86,6.56,;1.95,5.47,;1.55,3.98,;2.64,2.89,;2.24,1.41,;4.12,3.29,;5.21,2.2,;4.52,4.78,;6.01,5.18,;3.43,5.87,;-2.01,1.54,;-.47,1.54,;-2.92,.3,;-2.52,-1.19,;-1.03,-1.59,;.06,-.5,;1.55,-.9,;1.95,-2.39,;.86,-3.48,;-.63,-3.08,;1.25,-4.96,;.17,-6.05,;2.74,-5.36,;3.83,-4.27,;2.74,-3.19,;4.23,-2.79,;5.32,-4.67,;5.72,-6.16,;7.2,-6.56,;8.29,-5.47,;7.9,-3.98,;6.41,-3.58,;-4.38,.77,)|
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(=O)NS(C)(=O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccnn3C)c2n1CCC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cnccc3C)c2n1CCC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccncc3C)c2n1CCC(O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccn3C)c2n1CCC(O)=O
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-1.99,-2.87,;-3.33,-3.64,;-3.8,-5.1,;-5.34,-5.1,;-5.82,-3.64,;-7.15,-2.87,;-4.57,-2.73,;-4.57,-1.19,;-5.91,-.42,;-5.91,1.12,;-4.57,1.89,;-3.24,1.12,;-1.77,1.59,;-1.37,3.08,;.11,3.48,;.51,4.96,;2,5.36,;3.09,4.27,;2.69,2.79,;3.78,1.7,;3.38,.21,;5.27,2.1,;6.35,1.01,;5.66,3.58,;7.15,3.98,;4.58,4.67,;-.87,.35,;.67,.35,;-1.77,-.9,;-1.37,-2.39,;.11,-2.79,;.51,-4.27,;2,-4.67,;-.58,-5.36,;-3.24,-.42,)|
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccnc3C)c2n1CCC(O)=O
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-1.99,-2.33,;-3.33,-3.1,;-3.8,-4.57,;-5.34,-4.57,;-6.11,-5.9,;-5.82,-3.1,;-7.15,-2.33,;-4.57,-2.2,;-4.57,-.66,;-5.91,.11,;-5.91,1.65,;-4.57,2.42,;-3.24,1.65,;-1.77,2.13,;-1.37,3.62,;.11,4.01,;.51,5.5,;2,5.9,;3.09,4.81,;2.69,3.32,;3.78,2.24,;3.38,.75,;5.27,2.63,;6.35,1.55,;5.66,4.12,;7.15,4.52,;4.58,5.21,;-.87,.88,;.67,.88,;-1.77,-.36,;-1.37,-1.85,;.11,-2.25,;.51,-3.74,;2,-4.14,;-.58,-4.83,;-3.24,.11,)|
CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-5.34,-6.57,;-6.11,-5.23,;-5.34,-3.9,;-3.8,-3.9,;-3.33,-2.44,;-1.99,-1.67,;-4.57,-1.53,;-5.82,-2.44,;-7.15,-1.67,;-4.57,.01,;-5.91,.78,;-5.91,2.32,;-4.57,3.09,;-3.24,2.32,;-1.77,2.8,;-1.37,4.28,;.11,4.68,;.51,6.17,;2,6.57,;3.09,5.48,;2.69,3.99,;3.78,2.9,;3.38,1.41,;5.27,3.3,;6.35,2.21,;5.66,4.79,;7.15,5.19,;4.58,5.88,;-.87,1.55,;.67,1.55,;-1.77,.3,;-1.37,-1.18,;.11,-1.58,;.51,-3.07,;2,-3.47,;-.58,-4.16,;-3.24,.78,)|
CC(C)n1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-5.09,-6.57,;-5.86,-5.23,;-7.4,-5.23,;-5.09,-3.9,;-3.55,-3.9,;-3.08,-2.44,;-1.74,-1.67,;-4.32,-1.53,;-5.57,-2.44,;-6.9,-1.67,;-4.32,.01,;-5.66,.78,;-5.66,2.32,;-4.32,3.09,;-2.99,2.32,;-1.52,2.8,;-1.12,4.28,;.36,4.68,;.76,6.17,;2.25,6.57,;3.34,5.48,;2.94,3.99,;4.03,2.9,;3.63,1.41,;5.52,3.3,;6.6,2.21,;5.91,4.79,;7.4,5.19,;4.83,5.88,;-.62,1.55,;.92,1.55,;-1.52,.3,;-1.12,-1.18,;.36,-1.58,;.76,-3.07,;2.25,-3.47,;-.33,-4.16,;-2.99,.78,)|
Cc1nn(CCN2CCOCC2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-1.36,.33,;-2.69,-.44,;-3.17,-1.9,;-4.71,-1.9,;-5.48,-3.23,;-4.71,-4.57,;-5.48,-5.9,;-7.02,-5.9,;-7.79,-7.23,;-7.02,-8.57,;-5.48,-8.57,;-4.71,-7.23,;-5.18,-.44,;-6.52,.33,;-3.94,.47,;-3.94,2.01,;-5.27,2.78,;-5.27,4.32,;-3.94,5.09,;-2.6,4.32,;-1.14,4.8,;-.74,6.28,;.75,6.68,;1.15,8.17,;2.63,8.57,;3.72,7.48,;3.32,5.99,;4.41,4.9,;4.01,3.42,;5.9,5.3,;6.99,4.21,;6.3,6.79,;7.79,7.19,;5.21,7.88,;-.23,3.55,;1.31,3.55,;-1.14,2.3,;-.74,.82,;.75,.42,;1.15,-1.07,;2.63,-1.47,;.06,-2.16,;-2.6,2.78,)|
Cc1nn(CCN2CCCC2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-1.5,.19,;-2.84,-.58,;-3.31,-2.05,;-4.85,-2.05,;-5.62,-3.38,;-4.85,-4.72,;-5.62,-6.05,;-7.16,-6.05,;-7.64,-7.51,;-6.39,-8.42,;-5.15,-7.51,;-5.33,-.58,;-6.66,.19,;-4.08,.32,;-4.08,1.86,;-5.42,2.63,;-5.42,4.17,;-4.08,4.94,;-2.75,4.17,;-1.29,4.65,;-.89,6.13,;.6,6.53,;1,8.02,;2.49,8.42,;3.58,7.33,;3.18,5.84,;4.27,4.75,;3.87,3.27,;5.75,5.15,;6.84,4.06,;6.15,6.64,;7.64,7.04,;5.06,7.73,;-.38,3.4,;1.16,3.4,;-1.29,2.16,;-.89,.67,;.6,.27,;1,-1.22,;2.49,-1.62,;-.09,-2.31,;-2.75,2.63,)|
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccnn3C)c2n1CCC(=O)NS(C)(=O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cnccc3C)c2n1CCC(=O)NS(C)(=O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccncc3C)c2n1CCC(=O)NS(C)(=O)=O
Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccn3C)c2n1CCC(=O)NS(C)(=O)=O
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12 |(-1.99,-2.33,;-3.33,-3.1,;-3.8,-4.57,;-5.34,-4.57,;-6.11,-5.9,;-5.82,-3.1,;-7.15,-2.33,;-4.57,-2.2,;-4.57,-.66,;-5.91,.11,;-5.91,1.65,;-4.57,2.42,;-3.24,1.65,;-1.77,2.13,;-1.37,3.62,;.11,4.01,;.51,5.5,;2,5.9,;3.09,4.81,;2.69,3.32,;3.78,2.24,;3.38,.75,;5.27,2.63,;6.35,1.55,;5.66,4.12,;7.15,4.52,;4.58,5.21,;-.87,.88,;.67,.88,;-1.77,-.36,;-1.37,-1.85,;.11,-2.25,;.51,-3.74,;-.58,-4.83,;2,-4.14,;3.09,-3.05,;4.58,-3.45,;2,-1.96,;3.49,-1.56,;-3.24,.11,)|
CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12 |(-5.34,-6.57,;-6.11,-5.23,;-5.34,-3.9,;-3.8,-3.9,;-3.33,-2.44,;-1.99,-1.67,;-4.57,-1.53,;-5.82,-2.44,;-7.15,-1.67,;-4.57,.01,;-5.91,.78,;-5.91,2.32,;-4.57,3.09,;-3.24,2.32,;-1.77,2.8,;-1.37,4.28,;.11,4.68,;.51,6.17,;2,6.57,;3.09,5.48,;2.69,3.99,;3.78,2.9,;3.38,1.41,;5.27,3.3,;6.35,2.21,;5.66,4.79,;7.15,5.19,;4.58,5.88,;-.87,1.55,;.67,1.55,;-1.77,.3,;-1.37,-1.18,;.11,-1.58,;.51,-3.07,;-.58,-4.16,;2,-3.47,;3.09,-2.38,;4.58,-2.78,;2,-1.29,;3.49,-.89,;-3.24,.78,)|
CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccccc3)c12 |(-5.54,-6.57,;-6.31,-5.23,;-5.54,-3.9,;-4,-3.9,;-3.53,-2.44,;-2.19,-1.67,;-4.77,-1.53,;-6.02,-2.44,;-7.35,-1.67,;-4.77,.01,;-6.1,.78,;-6.1,2.32,;-4.77,3.09,;-3.44,2.32,;-1.97,2.8,;-1.57,4.28,;-.09,4.68,;.31,6.17,;1.8,6.57,;2.89,5.48,;2.49,3.99,;3.58,2.9,;3.18,1.41,;5.07,3.3,;6.16,2.21,;5.46,4.79,;6.95,5.19,;4.38,5.88,;-1.07,1.55,;.47,1.55,;-1.97,.3,;-1.57,-1.18,;-.09,-1.58,;.31,-3.07,;-.78,-4.16,;1.8,-3.47,;2.89,-2.38,;1.8,-1.29,;3.29,-.89,;4.38,-2.78,;4.77,-4.27,;6.26,-4.66,;7.35,-3.58,;6.95,-2.09,;5.46,-1.69,;-3.44,.78,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)Cc3ccccc3)c12 |(-2.7,-2.33,;-4.04,-3.1,;-4.51,-4.57,;-6.05,-4.57,;-6.82,-5.9,;-6.53,-3.1,;-7.86,-2.33,;-5.28,-2.2,;-5.28,-.66,;-6.62,.11,;-6.62,1.65,;-5.28,2.42,;-3.95,1.65,;-2.49,2.13,;-2.09,3.62,;-.6,4.01,;-.2,5.5,;1.29,5.9,;2.38,4.81,;1.98,3.32,;3.07,2.24,;2.67,.75,;4.55,2.63,;5.64,1.55,;4.95,4.12,;6.44,4.52,;3.86,5.21,;-1.58,.88,;-.04,.88,;-2.49,-.36,;-2.09,-1.85,;-.6,-2.25,;-.2,-3.74,;-1.29,-4.83,;1.29,-4.14,;2.38,-3.05,;1.29,-1.96,;2.77,-1.56,;3.86,-3.45,;5.2,-2.68,;6.53,-3.45,;7.86,-2.68,;7.86,-1.14,;6.53,-.37,;5.2,-1.14,;-3.95,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c12 |(-3.48,-2.33,;-4.81,-3.1,;-5.29,-4.57,;-6.83,-4.57,;-7.6,-5.9,;-7.31,-3.1,;-8.64,-2.33,;-6.06,-2.2,;-6.06,-.66,;-7.39,.11,;-7.39,1.65,;-6.06,2.42,;-4.73,1.65,;-3.26,2.13,;-2.86,3.62,;-1.37,4.01,;-.98,5.5,;.51,5.9,;1.6,4.81,;1.2,3.32,;2.29,2.24,;1.89,.75,;3.78,2.63,;4.87,1.55,;4.18,4.12,;5.66,4.52,;3.09,5.21,;-2.36,.88,;-.82,.88,;-3.26,-.36,;-2.86,-1.85,;-1.37,-2.25,;-.98,-3.74,;-2.07,-4.83,;.51,-4.14,;1.6,-3.05,;.51,-1.96,;2,-1.56,;3.09,-3.45,;3.49,-4.93,;4.97,-5.33,;6.06,-4.24,;7.55,-4.64,;8.64,-3.55,;8.24,-2.06,;6.75,-1.67,;5.66,-2.75,;4.18,-2.36,;-4.73,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c12 |(-4.77,-2.33,;-6.1,-3.1,;-6.58,-4.57,;-8.12,-4.57,;-8.89,-5.9,;-8.59,-3.1,;-9.93,-2.33,;-7.35,-2.2,;-7.35,-.66,;-8.68,.11,;-8.68,1.65,;-7.35,2.42,;-6.01,1.65,;-4.55,2.13,;-4.15,3.62,;-2.66,4.01,;-2.26,5.5,;-.78,5.9,;.31,4.81,;-.09,3.32,;1,2.24,;.6,.75,;2.49,2.63,;3.58,1.54,;2.89,4.12,;4.38,4.52,;1.8,5.21,;-3.64,.88,;-2.1,.88,;-4.55,-.36,;-4.15,-1.85,;-2.66,-2.25,;-2.26,-3.74,;-3.35,-4.83,;-.78,-4.14,;.31,-3.05,;-.78,-1.96,;.71,-1.56,;1.8,-3.44,;2.2,-4.93,;3.68,-5.33,;4.77,-4.24,;6.26,-4.64,;7.35,-3.55,;8.84,-3.95,;9.93,-2.86,;9.53,-1.37,;8.04,-.98,;6.95,-2.06,;4.38,-2.75,;2.89,-2.36,;-6.01,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccccc3[N+]([O-])=O)c12 |(-2.19,-1.53,;-3.53,-2.3,;-4,-3.76,;-5.54,-3.76,;-6.31,-5.1,;-6.02,-2.3,;-7.35,-1.53,;-4.77,-1.39,;-4.77,.15,;-6.1,.92,;-6.1,2.46,;-4.77,3.23,;-3.44,2.46,;-1.97,2.93,;-1.57,4.42,;-.09,4.82,;.31,6.31,;1.8,6.7,;2.89,5.62,;2.49,4.13,;3.58,3.04,;3.18,1.55,;5.07,3.44,;6.16,2.35,;5.46,4.93,;6.95,5.32,;4.38,6.01,;-1.07,1.69,;.47,1.69,;-1.97,.44,;-1.57,-1.05,;-.09,-1.45,;.31,-2.93,;-.78,-4.02,;1.8,-3.33,;2.89,-2.24,;1.8,-1.15,;3.29,-.75,;4.38,-2.64,;5.46,-1.55,;6.95,-1.95,;7.35,-3.44,;6.26,-4.53,;4.74,-4.17,;3.65,-5.26,;2.16,-4.86,;4.04,-6.74,;-3.44,.92,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c12 |(-3.28,-2.33,;-4.61,-3.1,;-5.09,-4.57,;-6.63,-4.57,;-7.4,-5.9,;-7.11,-3.1,;-8.44,-2.33,;-5.86,-2.2,;-5.86,-.66,;-7.19,.11,;-7.19,1.65,;-5.86,2.42,;-4.53,1.65,;-3.06,2.13,;-2.66,3.62,;-1.18,4.01,;-.78,5.5,;.71,5.9,;1.8,4.81,;1.4,3.32,;2.49,2.24,;2.09,.75,;3.98,2.63,;5.07,1.55,;4.38,4.12,;5.86,4.52,;3.29,5.21,;-2.16,.88,;-.62,.88,;-3.06,-.36,;-2.66,-1.85,;-1.18,-2.25,;-.78,-3.74,;-1.87,-4.83,;.71,-4.14,;1.8,-3.05,;.71,-1.96,;2.2,-1.56,;3.29,-3.45,;3.69,-4.93,;5.17,-5.33,;6.26,-4.24,;5.9,-2.72,;4.38,-2.36,;6.99,-1.63,;6.59,-.14,;8.48,-2.03,;-4.53,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c12 |(-3.48,-2.22,;-4.81,-2.99,;-5.29,-4.45,;-6.83,-4.45,;-7.6,-5.79,;-7.31,-2.99,;-8.64,-2.22,;-6.06,-2.08,;-6.06,-.54,;-7.39,.23,;-7.39,1.77,;-6.06,2.54,;-4.73,1.77,;-3.26,2.24,;-2.86,3.73,;-1.37,4.13,;-.98,5.62,;.51,6.01,;1.6,4.93,;1.2,3.44,;2.29,2.35,;1.89,.86,;3.78,2.75,;4.87,1.66,;4.18,4.24,;5.66,4.63,;3.09,5.32,;-2.36,1,;-.82,1,;-3.26,-.25,;-2.86,-1.74,;-1.37,-2.14,;-.98,-3.62,;-2.07,-4.71,;.51,-4.02,;1.6,-2.93,;.51,-1.84,;2,-1.45,;3.09,-3.33,;3.49,-4.82,;4.97,-5.22,;6.12,-4.14,;5.66,-2.64,;4.18,-2.24,;7.6,-4.54,;8.69,-3.45,;8,-6.03,;-4.73,.23,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccccn3)c12 |(-2.19,-2.33,;-3.53,-3.1,;-4,-4.57,;-5.54,-4.57,;-6.31,-5.9,;-6.02,-3.1,;-7.35,-2.33,;-4.77,-2.2,;-4.77,-.66,;-6.1,.11,;-6.1,1.65,;-4.77,2.42,;-3.44,1.65,;-1.97,2.13,;-1.57,3.62,;-.09,4.01,;.31,5.5,;1.8,5.9,;2.89,4.81,;2.49,3.32,;3.58,2.24,;3.18,.75,;5.07,2.63,;6.16,1.55,;5.46,4.12,;6.95,4.52,;4.38,5.21,;-1.07,.88,;.47,.88,;-1.97,-.36,;-1.57,-1.85,;-.09,-2.25,;.31,-3.74,;-.78,-4.83,;1.8,-4.14,;2.89,-3.05,;1.8,-1.96,;3.29,-1.56,;4.38,-3.45,;4.77,-4.93,;6.26,-5.33,;7.35,-4.24,;6.95,-2.75,;5.46,-2.36,;-3.44,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3cccnc3)c12 |(-2.19,-2.33,;-3.53,-3.1,;-4,-4.57,;-5.54,-4.57,;-6.31,-5.9,;-6.02,-3.1,;-7.35,-2.33,;-4.77,-2.2,;-4.77,-.66,;-6.1,.11,;-6.1,1.65,;-4.77,2.42,;-3.44,1.65,;-1.97,2.13,;-1.57,3.62,;-.09,4.01,;.31,5.5,;1.8,5.9,;2.89,4.81,;2.49,3.32,;3.58,2.24,;3.18,.75,;5.07,2.63,;6.16,1.55,;5.46,4.12,;6.95,4.52,;4.38,5.21,;-1.07,.88,;.47,.88,;-1.97,-.36,;-1.57,-1.85,;-.09,-2.25,;.31,-3.74,;-.78,-4.83,;1.8,-4.14,;2.89,-3.05,;1.8,-1.96,;3.29,-1.56,;4.38,-3.45,;4.77,-4.93,;6.26,-5.33,;7.35,-4.24,;6.95,-2.75,;5.46,-2.36,;-3.44,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccncc3)c12 |(-2.19,-2.33,;-3.53,-3.1,;-4,-4.57,;-5.54,-4.57,;-6.31,-5.9,;-6.02,-3.1,;-7.35,-2.33,;-4.77,-2.2,;-4.77,-.66,;-6.1,.11,;-6.1,1.65,;-4.77,2.42,;-3.44,1.65,;-1.97,2.13,;-1.57,3.62,;-.09,4.01,;.31,5.5,;1.8,5.9,;2.89,4.81,;2.49,3.32,;3.58,2.24,;3.18,.75,;5.07,2.63,;6.16,1.55,;5.46,4.12,;6.95,4.52,;4.38,5.21,;-1.07,.88,;.47,.88,;-1.97,-.36,;-1.57,-1.85,;-.09,-2.25,;.31,-3.74,;-.78,-4.83,;1.8,-4.14,;2.89,-3.05,;1.8,-1.96,;3.29,-1.56,;4.38,-3.45,;4.77,-4.93,;6.26,-5.33,;7.35,-4.24,;6.95,-2.75,;5.46,-2.36,;-3.44,.11,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(O)=O)c12 |(-1.99,-2.82,;-3.33,-3.59,;-3.8,-5.05,;-5.34,-5.05,;-5.82,-3.59,;-7.15,-2.82,;-4.57,-2.68,;-4.57,-1.14,;-5.91,-.37,;-5.91,1.17,;-4.57,1.94,;-3.24,1.17,;-1.77,1.64,;-1.37,3.13,;.11,3.53,;.51,5.02,;2,5.42,;3.09,4.33,;2.69,2.84,;3.78,1.75,;3.38,.26,;5.27,2.15,;6.35,1.06,;5.66,3.64,;7.15,4.04,;4.58,4.73,;-.87,.4,;.67,.4,;-1.77,-.85,;-1.37,-2.33,;.11,-2.73,;.51,-4.22,;2,-4.62,;3.14,-3.55,;2.69,-2.04,;1.2,-1.64,;4.63,-3.94,;5.03,-5.43,;5.72,-2.86,;-3.24,-.37,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(o3)C(O)=O)c12 |(-1.99,-3,;-3.33,-3.77,;-3.8,-5.23,;-5.34,-5.23,;-5.82,-3.77,;-7.15,-3,;-4.57,-2.86,;-4.57,-1.32,;-5.91,-.55,;-5.91,.99,;-4.57,1.76,;-3.24,.99,;-1.77,1.46,;-1.37,2.95,;.11,3.35,;.51,4.84,;2,5.23,;3.09,4.14,;2.69,2.66,;3.78,1.57,;3.38,.08,;5.27,1.97,;6.35,.88,;5.66,3.45,;7.15,3.85,;4.58,4.54,;-.87,.22,;.67,.22,;-1.77,-1.03,;-1.37,-2.52,;.11,-2.92,;.59,-4.38,;2.13,-4.38,;2.64,-2.9,;1.36,-2.01,;4.11,-2.43,;5.25,-3.46,;4.43,-.92,;-3.24,-.55,)|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12 |(-1.99,-1.93,;-3.33,-2.7,;-3.8,-4.16,;-5.34,-4.16,;-5.82,-2.7,;-7.15,-1.93,;-4.57,-1.79,;-4.57,-.25,;-5.91,.52,;-5.91,2.06,;-4.57,2.83,;-3.24,2.06,;-1.77,2.53,;-1.37,4.02,;.11,4.42,;.51,5.91,;2,6.31,;3.09,5.22,;2.69,3.73,;3.78,2.64,;3.38,1.15,;5.27,3.04,;6.35,1.95,;5.66,4.53,;7.15,4.93,;4.58,5.62,;-.87,1.29,;.67,1.29,;-1.77,.04,;-1.37,-1.45,;.11,-1.84,;1.2,-.75,;2.69,-1.15,;3.09,-2.64,;2.01,-3.78,;.51,-3.33,;2.41,-5.27,;1.32,-6.36,;3.9,-5.67,;-3.24,.52,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12 |(-1.95,-1.93,;-3.28,-2.7,;-3.76,-4.16,;-5.3,-4.16,;-6.07,-5.5,;-5.77,-2.7,;-7.11,-1.93,;-4.53,-1.79,;-4.53,-.25,;-5.86,.52,;-7.2,-.25,;-5.86,2.06,;-4.53,2.83,;-3.19,2.06,;-1.73,2.53,;-1.33,4.02,;.16,4.42,;.55,5.91,;2.04,6.31,;3.13,5.22,;2.73,3.73,;3.82,2.64,;3.42,1.15,;5.31,3.04,;6.4,1.95,;5.71,4.53,;7.2,4.93,;4.62,5.62,;-.82,1.29,;.72,1.29,;-1.73,.04,;-1.33,-1.45,;.16,-1.84,;1.25,-.75,;2.73,-1.15,;3.13,-2.64,;2.06,-3.78,;.55,-3.33,;2.46,-5.27,;1.37,-6.36,;3.94,-5.67,;-3.19,.52,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(CC(O)=O)cc3)c12 |(-1.95,-2.33,;-3.28,-3.1,;-3.76,-4.57,;-5.3,-4.57,;-6.07,-5.9,;-5.77,-3.1,;-7.11,-2.33,;-4.53,-2.2,;-4.53,-.66,;-5.86,.11,;-7.2,-.66,;-5.86,1.65,;-4.53,2.42,;-3.19,1.65,;-1.73,2.13,;-1.33,3.62,;.16,4.01,;.55,5.5,;2.04,5.9,;3.13,4.81,;2.73,3.32,;3.82,2.24,;3.42,.75,;5.31,2.63,;6.4,1.55,;5.71,4.12,;7.2,4.52,;4.62,5.21,;-.82,.88,;.72,.88,;-1.73,-.36,;-1.33,-1.85,;.16,-2.25,;.55,-3.74,;2.04,-4.14,;3.13,-3.05,;4.62,-3.44,;5.71,-2.36,;7.2,-2.75,;5.31,-.87,;2.73,-1.56,;1.25,-1.16,;-3.19,.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-1.95,-2.33,;-3.28,-3.1,;-3.76,-4.57,;-5.3,-4.57,;-6.07,-5.9,;-5.77,-3.1,;-7.11,-2.33,;-4.53,-2.2,;-4.53,-.66,;-5.86,.11,;-7.2,-.66,;-5.86,1.65,;-4.53,2.42,;-3.19,1.65,;-1.73,2.13,;-1.33,3.62,;.16,4.01,;.55,5.5,;2.04,5.9,;3.13,4.81,;2.73,3.32,;3.82,2.24,;3.42,.75,;5.31,2.63,;6.4,1.55,;5.71,4.12,;7.2,4.52,;4.62,5.21,;-.82,.88,;.72,.88,;-1.73,-.36,;-1.33,-1.85,;.16,-2.25,;.55,-3.74,;2.04,-4.14,;-.53,-4.83,;-3.19,.11,)|
Cc1nn(Cc2ccccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.2,-1.67,;-1.54,-2.44,;-2.01,-3.9,;-3.55,-3.9,;-4.32,-5.23,;-5.86,-5.23,;-6.63,-6.57,;-8.17,-6.57,;-8.94,-5.23,;-8.17,-3.9,;-6.63,-3.9,;-4.03,-2.44,;-5.36,-1.67,;-2.78,-1.53,;-2.78,.01,;-4.12,.78,;-4.12,2.32,;-2.78,3.09,;-1.45,2.32,;.02,2.8,;.42,4.28,;1.9,4.68,;2.3,6.17,;3.79,6.57,;4.88,5.48,;4.48,3.99,;5.57,2.9,;5.17,1.41,;7.06,3.3,;8.14,2.21,;7.45,4.79,;8.94,5.19,;6.37,5.88,;.92,1.55,;2.46,1.55,;.02,.3,;.42,-1.18,;1.9,-1.58,;2.3,-3.07,;3.79,-3.47,;1.21,-4.16,;-1.45,.78,)|
Cc1nn(CC2CCOC2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.56,-1.71,;-1.89,-2.48,;-2.37,-3.94,;-3.91,-3.94,;-4.68,-5.28,;-6.22,-5.28,;-7.12,-6.52,;-8.59,-6.05,;-8.59,-4.51,;-7.12,-4.03,;-4.38,-2.48,;-5.72,-1.71,;-3.14,-1.57,;-3.14,-.03,;-4.47,.74,;-4.47,2.28,;-3.14,3.05,;-1.8,2.28,;-.34,2.75,;.06,4.24,;1.55,4.64,;1.95,6.13,;3.43,6.52,;4.52,5.43,;4.12,3.95,;5.21,2.86,;4.81,1.37,;6.7,3.26,;7.79,2.17,;7.1,4.74,;8.59,5.14,;6.01,5.83,;.57,1.51,;2.11,1.51,;-.34,.26,;.06,-1.23,;1.55,-1.63,;1.95,-3.11,;3.43,-3.51,;.86,-4.2,;-1.8,.74,)|
Cc1nn(Cc2ccccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12 |(-.2,-1.67,;-1.54,-2.44,;-2.01,-3.9,;-3.55,-3.9,;-4.32,-5.23,;-5.86,-5.23,;-6.63,-6.57,;-8.17,-6.57,;-8.94,-5.23,;-8.17,-3.9,;-6.63,-3.9,;-4.03,-2.44,;-5.36,-1.67,;-2.78,-1.53,;-2.78,.01,;-4.12,.78,;-4.12,2.32,;-2.78,3.09,;-1.45,2.32,;.02,2.8,;.42,4.28,;1.9,4.68,;2.3,6.17,;3.79,6.57,;4.88,5.48,;4.48,3.99,;5.57,2.9,;5.17,1.41,;7.06,3.3,;8.14,2.21,;7.45,4.79,;8.94,5.19,;6.37,5.88,;.92,1.55,;2.46,1.55,;.02,.3,;.42,-1.18,;1.9,-1.58,;2.99,-.49,;4.48,-.89,;4.88,-2.38,;3.8,-3.52,;2.3,-3.07,;4.2,-5.01,;3.11,-6.1,;5.69,-5.41,;-1.45,.78,)|
Cc1nn(CCN2CCOCC2)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.2,-.33,;-1.54,-1.1,;-2.01,-2.57,;-3.55,-2.57,;-4.32,-3.9,;-5.86,-3.9,;-6.63,-5.23,;-8.17,-5.23,;-8.94,-6.57,;-8.17,-7.9,;-6.63,-7.9,;-5.86,-6.57,;-4.03,-1.1,;-5.36,-.33,;-2.78,-.2,;-2.78,1.34,;-4.12,2.11,;-5.45,1.34,;-4.12,3.65,;-2.78,4.42,;-1.45,3.65,;.02,4.13,;.42,5.62,;1.9,6.02,;2.3,7.5,;3.79,7.9,;4.88,6.81,;4.48,5.32,;5.57,4.24,;5.17,2.75,;7.06,4.63,;8.14,3.55,;7.45,6.12,;8.94,6.52,;6.37,7.21,;.92,2.88,;2.46,2.88,;.02,1.64,;.42,.15,;1.9,-.25,;2.3,-1.74,;3.79,-2.13,;1.21,-2.83,;-1.45,2.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(O)=O)c12 |(-1.95,-2.33,;-3.28,-3.1,;-3.76,-4.57,;-5.3,-4.57,;-6.07,-5.9,;-5.77,-3.1,;-7.11,-2.33,;-4.53,-2.2,;-4.53,-.66,;-5.86,.11,;-7.2,-.66,;-5.86,1.65,;-4.53,2.42,;-3.19,1.65,;-1.73,2.13,;-1.33,3.62,;.16,4.01,;.55,5.5,;2.04,5.9,;3.13,4.81,;2.73,3.32,;3.82,2.24,;3.42,.75,;5.31,2.63,;6.4,1.55,;5.71,4.12,;7.2,4.52,;4.62,5.21,;-.82,.88,;.72,.88,;-1.73,-.36,;-1.25,-1.83,;.25,-2.15,;.73,-3.61,;1.28,-1,;-3.19,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3ccc(CC(O)=O)cc3)c12)C(F)(F)F |(-1.99,-2.33,;-3.33,-3.1,;-3.8,-4.57,;-5.34,-4.57,;-6.11,-5.9,;-5.82,-3.1,;-7.15,-2.33,;-4.57,-2.2,;-4.57,-.66,;-5.91,.11,;-5.91,1.65,;-4.57,2.42,;-3.24,1.65,;-1.77,2.13,;-1.37,3.62,;.11,4.01,;.51,5.5,;2,5.9,;3.09,4.81,;2.69,3.32,;3.78,2.24,;3.38,.75,;5.27,2.63,;6.35,1.55,;5.66,4.12,;7.15,4.52,;4.58,5.21,;-.87,.88,;-1.77,-.36,;-1.37,-1.85,;.11,-2.25,;.51,-3.74,;2,-4.14,;3.09,-3.05,;4.58,-3.44,;4.97,-4.93,;3.88,-6.02,;6.46,-5.33,;2.69,-1.56,;1.2,-1.16,;-3.24,.11,;.67,.88,;2.21,.88,;.67,2.42,;.67,-.66,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(CCc3ccc(cc3)C(O)=O)c12)C(F)(F)F |(-1.99,-.64,;-3.33,-1.41,;-3.8,-2.87,;-5.34,-2.87,;-6.11,-4.21,;-5.82,-1.41,;-7.15,-.64,;-4.57,-.5,;-4.57,1.04,;-5.91,1.81,;-5.91,3.35,;-4.57,4.12,;-3.24,3.35,;-1.77,3.82,;-1.37,5.31,;.11,5.71,;.51,7.2,;2,7.59,;3.09,6.51,;2.69,5.02,;3.78,3.93,;3.38,2.44,;5.27,4.33,;6.35,3.24,;5.66,5.82,;7.15,6.21,;4.58,6.9,;-.87,2.58,;-1.77,1.33,;-1.37,-.16,;.11,-.56,;.51,-2.04,;-.58,-3.13,;-.18,-4.62,;1.32,-5.07,;2.4,-3.93,;2,-2.44,;1.72,-6.56,;3.21,-6.96,;.63,-7.65,;-3.24,1.81,;.67,2.58,;2.21,2.58,;.67,4.12,;.67,1.04,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(CC(O)=O)c12)C(F)(F)F |(-1.99,-2.33,;-3.33,-3.1,;-3.8,-4.57,;-5.34,-4.57,;-6.11,-5.9,;-5.82,-3.1,;-7.15,-2.33,;-4.57,-2.2,;-4.57,-.66,;-5.91,.11,;-5.91,1.65,;-4.57,2.42,;-3.24,1.65,;-1.77,2.13,;-1.37,3.62,;.11,4.01,;.51,5.5,;2,5.9,;3.09,4.81,;2.69,3.32,;3.78,2.24,;3.38,.75,;5.27,2.63,;6.35,1.55,;5.66,4.12,;7.15,4.52,;4.58,5.21,;-.87,.88,;-1.77,-.36,;-1.3,-1.83,;.21,-2.15,;.68,-3.61,;1.24,-1,;-3.24,.11,;.67,.88,;2.21,.88,;.67,2.42,;.67,-.66,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(CC(=O)N3CCN(CC(O)=O)CC3)c12)C(F)(F)F |(-1.99,-.24,;-3.33,-1.01,;-3.8,-2.47,;-5.34,-2.47,;-6.11,-3.81,;-5.82,-1.01,;-7.15,-.24,;-4.57,-.1,;-4.57,1.44,;-5.91,2.21,;-5.91,3.75,;-4.57,4.52,;-3.24,3.75,;-1.77,4.22,;-1.37,5.71,;.11,6.11,;.51,7.59,;2,7.99,;3.09,6.9,;2.69,5.42,;3.78,4.33,;3.38,2.84,;5.27,4.73,;6.35,3.64,;5.66,6.21,;7.15,6.61,;4.58,7.3,;-.87,2.98,;-1.77,1.73,;-1.37,.24,;.11,-.16,;1.2,.93,;.51,-1.64,;-.58,-2.73,;-.18,-4.22,;1.31,-4.62,;1.71,-6.11,;3.19,-6.51,;3.59,-7.99,;4.28,-5.42,;2.4,-3.53,;2,-2.04,;-3.24,2.21,;.67,2.98,;2.21,2.98,;.67,4.52,;.67,1.44,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3cccc(c3)C(O)=O)c12)C(F)(F)F |(-1.95,-1.93,;-3.28,-2.7,;-3.76,-4.16,;-5.3,-4.16,;-6.07,-5.5,;-5.77,-2.7,;-7.11,-1.93,;-4.53,-1.79,;-4.53,-.25,;-5.86,.52,;-7.2,-.25,;-5.86,2.06,;-4.53,2.83,;-3.19,2.06,;-1.73,2.53,;-1.33,4.02,;.16,4.42,;.55,5.91,;2.04,6.31,;3.13,5.22,;2.73,3.73,;3.82,2.64,;3.42,1.15,;5.31,3.04,;6.4,1.95,;5.71,4.53,;7.2,4.93,;4.62,5.62,;-.82,1.29,;-1.73,.04,;-1.33,-1.45,;.16,-1.84,;1.25,-.75,;2.73,-1.15,;3.13,-2.64,;2.06,-3.78,;.55,-3.33,;2.46,-5.27,;1.37,-6.36,;3.94,-5.67,;-3.19,.52,;.72,1.29,;2.26,1.29,;.72,2.83,;.72,-.25,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3cccc(c3)C(O)=O)c12)C(F)(F)F |(-1.99,-1.93,;-3.33,-2.7,;-3.8,-4.16,;-5.34,-4.16,;-6.11,-5.5,;-5.82,-2.7,;-7.15,-1.93,;-4.57,-1.79,;-4.57,-.25,;-5.91,.52,;-5.91,2.06,;-4.57,2.83,;-3.24,2.06,;-1.77,2.53,;-1.37,4.02,;.11,4.42,;.51,5.91,;2,6.31,;3.09,5.22,;2.69,3.73,;3.78,2.64,;3.38,1.15,;5.27,3.04,;6.35,1.95,;5.66,4.53,;7.15,4.93,;4.58,5.62,;-.87,1.29,;-1.77,.04,;-1.37,-1.45,;.11,-1.84,;1.2,-.75,;2.69,-1.15,;3.09,-2.64,;2.01,-3.78,;.51,-3.33,;2.41,-5.27,;1.32,-6.36,;3.9,-5.67,;-3.24,.52,;.67,1.29,;2.21,1.29,;.67,2.83,;.67,-.25,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3ccc(cc3)C(O)=O)c12)C(F)(F)F |(-1.99,-2.33,;-3.33,-3.1,;-3.8,-4.57,;-5.34,-4.57,;-6.11,-5.9,;-5.82,-3.1,;-7.15,-2.33,;-4.57,-2.2,;-4.57,-.66,;-5.91,.11,;-5.91,1.65,;-4.57,2.42,;-3.24,1.65,;-1.77,2.13,;-1.37,3.62,;.11,4.01,;.51,5.5,;2,5.9,;3.09,4.81,;2.69,3.32,;3.78,2.24,;3.38,.75,;5.27,2.63,;6.35,1.55,;5.66,4.12,;7.15,4.52,;4.58,5.21,;-.87,.88,;-1.77,-.36,;-1.37,-1.85,;.11,-2.25,;.51,-3.74,;2,-4.14,;3.14,-3.06,;2.69,-1.56,;1.2,-1.16,;4.63,-3.46,;5.03,-4.95,;5.72,-2.37,;-3.24,.11,;.67,.88,;2.21,.88,;.67,2.42,;.67,-.66,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(C)(=O)=O)c12 |(-1.99,-1.93,;-3.33,-2.7,;-3.8,-4.16,;-5.34,-4.16,;-6.11,-5.5,;-5.82,-2.7,;-7.15,-1.93,;-4.57,-1.79,;-4.57,-.25,;-5.91,.52,;-5.91,2.06,;-4.57,2.83,;-3.24,2.06,;-1.77,2.53,;-1.37,4.02,;.11,4.42,;.51,5.91,;2,6.31,;3.09,5.22,;2.69,3.73,;3.78,2.64,;3.38,1.15,;5.27,3.04,;6.35,1.95,;5.66,4.53,;7.15,4.93,;4.58,5.62,;-.87,1.29,;.67,1.29,;-1.77,.04,;-1.37,-1.45,;.11,-1.84,;1.2,-.75,;2.69,-1.15,;3.09,-2.64,;2,-3.73,;.51,-3.33,;2.4,-5.22,;1.31,-6.31,;3.88,-5.62,;4.97,-4.53,;6.46,-4.93,;3.88,-3.44,;5.37,-3.04,;-3.24,.52,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3ccccn3)c12 |(-3.13,-1.67,;-4.47,-2.44,;-4.94,-3.91,;-6.48,-3.91,;-7.25,-5.24,;-6.96,-2.44,;-8.29,-1.67,;-5.71,-1.54,;-5.71,0,;-7.05,.77,;-7.05,2.31,;-5.71,3.08,;-4.38,2.31,;-2.92,2.79,;-2.52,4.27,;-1.03,4.67,;-.63,6.16,;.86,6.56,;1.95,5.47,;1.55,3.98,;2.64,2.89,;2.24,1.41,;4.12,3.29,;5.21,2.2,;4.52,4.78,;6.01,5.18,;3.43,5.87,;-2.01,1.54,;-.47,1.54,;-2.92,.3,;-2.52,-1.19,;-1.03,-1.59,;.06,-.5,;1.55,-.9,;1.95,-2.39,;.86,-3.48,;-.63,-3.08,;1.25,-4.96,;.17,-6.05,;2.74,-5.36,;3.83,-4.27,;2.74,-3.19,;4.23,-2.79,;5.32,-4.67,;5.72,-6.16,;7.2,-6.56,;8.29,-5.47,;7.9,-3.98,;6.41,-3.58,;-4.38,.77,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3ccccc3)c12 |(-3.13,-1.67,;-4.47,-2.44,;-4.94,-3.91,;-6.48,-3.91,;-7.25,-5.24,;-6.96,-2.44,;-8.29,-1.67,;-5.71,-1.54,;-5.71,0,;-7.05,.77,;-7.05,2.31,;-5.71,3.08,;-4.38,2.31,;-2.92,2.79,;-2.52,4.27,;-1.03,4.67,;-.63,6.16,;.86,6.56,;1.95,5.47,;1.55,3.98,;2.64,2.89,;2.24,1.41,;4.12,3.29,;5.21,2.2,;4.52,4.78,;6.01,5.18,;3.43,5.87,;-2.01,1.54,;-.47,1.54,;-2.92,.3,;-2.52,-1.19,;-1.03,-1.59,;.06,-.5,;1.55,-.9,;1.95,-2.39,;.86,-3.48,;-.63,-3.08,;1.25,-4.96,;.17,-6.05,;2.74,-5.36,;3.83,-4.27,;2.74,-3.19,;4.23,-2.79,;5.32,-4.67,;5.72,-6.16,;7.2,-6.56,;8.29,-5.47,;7.9,-3.98,;6.41,-3.58,;-4.38,.77,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(=O)NS(=O)(=O)c3ccccc3)c12 |(-3.82,-2.33,;-5.16,-3.1,;-5.63,-4.57,;-7.17,-4.57,;-7.94,-5.9,;-7.65,-3.1,;-8.98,-2.33,;-6.4,-2.2,;-6.4,-.66,;-7.74,.11,;-7.74,1.65,;-6.4,2.42,;-5.07,1.65,;-3.61,2.13,;-3.21,3.62,;-1.72,4.01,;-1.32,5.5,;.17,5.9,;1.25,4.81,;.86,3.32,;1.95,2.24,;1.55,.75,;3.43,2.63,;4.52,1.54,;3.83,4.12,;5.32,4.52,;2.74,5.21,;-2.7,.88,;-1.16,.88,;-3.61,-.36,;-3.21,-1.85,;-1.72,-2.25,;-1.32,-3.74,;.17,-4.14,;1.25,-3.05,;.86,-1.56,;-.63,-1.16,;2.74,-3.44,;3.14,-4.93,;3.83,-2.36,;5.32,-2.75,;4.92,-4.24,;6.41,-3.84,;6.41,-1.67,;7.9,-2.06,;8.98,-.98,;8.59,.51,;7.1,.91,;6.01,-.18,;-5.07,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(=O)NS(C)(=O)=O)c12 |(-2.54,-2.33,;-3.87,-3.1,;-4.35,-4.57,;-5.89,-4.57,;-6.66,-5.9,;-6.36,-3.1,;-7.7,-2.33,;-5.12,-2.2,;-5.12,-.66,;-6.45,.11,;-6.45,1.65,;-5.12,2.42,;-3.78,1.65,;-2.32,2.13,;-1.92,3.62,;-.43,4.01,;-.03,5.5,;1.45,5.9,;2.54,4.81,;2.14,3.32,;3.23,2.24,;2.83,.75,;4.72,2.63,;5.81,1.55,;5.12,4.12,;6.61,4.52,;4.03,5.21,;-1.41,.88,;.13,.88,;-2.32,-.36,;-1.92,-1.85,;-.43,-2.25,;-.03,-3.74,;1.45,-4.14,;2.54,-3.05,;2.14,-1.56,;.66,-1.16,;4.03,-3.45,;4.43,-4.93,;5.12,-2.36,;6.61,-2.75,;7.7,-1.67,;6.21,-4.24,;7.7,-3.84,;-3.78,.11,)|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(=O)NS(=O)(=O)c3ccccn3)c12 |(-3.82,-2.33,;-5.16,-3.1,;-5.63,-4.57,;-7.17,-4.57,;-7.94,-5.9,;-7.65,-3.1,;-8.98,-2.33,;-6.4,-2.2,;-6.4,-.66,;-7.74,.11,;-7.74,1.65,;-6.4,2.42,;-5.07,1.65,;-3.61,2.13,;-3.21,3.62,;-1.72,4.01,;-1.32,5.5,;.17,5.9,;1.25,4.81,;.86,3.32,;1.95,2.24,;1.55,.75,;3.43,2.63,;4.52,1.54,;3.83,4.12,;5.32,4.52,;2.74,5.21,;-2.7,.88,;-1.16,.88,;-3.61,-.36,;-3.21,-1.85,;-1.72,-2.25,;-1.32,-3.74,;.17,-4.14,;1.25,-3.05,;.86,-1.56,;-.63,-1.16,;2.74,-3.44,;3.14,-4.93,;3.83,-2.36,;5.32,-2.75,;4.92,-4.24,;6.41,-3.84,;6.41,-1.67,;6.01,-.18,;7.1,.91,;8.59,.51,;8.98,-.98,;7.9,-2.06,;-5.07,.11,)|
Cc1nn(Cc2cccnc2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12 |(-.2,-1.67,;-1.54,-2.44,;-2.01,-3.9,;-3.55,-3.9,;-4.32,-5.23,;-5.86,-5.23,;-6.63,-6.57,;-8.17,-6.57,;-8.94,-5.23,;-8.17,-3.9,;-6.63,-3.9,;-4.03,-2.44,;-5.36,-1.67,;-2.78,-1.53,;-2.78,.01,;-4.12,.78,;-4.12,2.32,;-2.78,3.09,;-1.45,2.32,;.02,2.8,;.42,4.28,;1.9,4.68,;2.3,6.17,;3.79,6.57,;4.88,5.48,;4.48,3.99,;5.57,2.9,;5.17,1.41,;7.06,3.3,;8.14,2.21,;7.45,4.79,;8.94,5.19,;6.37,5.88,;.92,1.55,;2.46,1.55,;.02,.3,;.42,-1.18,;1.9,-1.58,;2.3,-3.07,;3.79,-3.47,;1.21,-4.16,;-1.45,.78,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cn3)C(O)=O)c12 |(-1.95,-2.33,;-3.28,-3.1,;-3.76,-4.57,;-5.3,-4.57,;-6.07,-5.9,;-5.77,-3.1,;-7.11,-2.33,;-4.53,-2.2,;-4.53,-.66,;-5.86,.11,;-7.2,-.66,;-5.86,1.65,;-4.53,2.42,;-3.19,1.65,;-1.73,2.13,;-1.33,3.62,;.16,4.01,;.55,5.5,;2.04,5.9,;3.13,4.81,;2.73,3.32,;3.82,2.24,;3.42,.75,;5.31,2.63,;6.4,1.55,;5.71,4.12,;7.2,4.52,;4.62,5.21,;-.82,.88,;.72,.88,;-1.73,-.36,;-1.33,-1.85,;.16,-2.25,;1.25,-1.16,;2.73,-1.56,;3.18,-3.06,;2.04,-4.14,;.55,-3.74,;4.67,-3.46,;5.07,-4.95,;5.76,-2.37,;-3.19,.11,)|
Cc1cc(OCCCc2c(n(CCC(O)=O)c3ccccc23)C(F)(F)F)cc(C)c1Cl
CC(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1
CC(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CC3)c2c1
CC(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CCCCC3)c2c1
CC(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(Cc3ccccc3)c2c1
Clc1ccc2c(CCCC22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)Cc2ccccc2)c1
CC(C)C(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1
Clc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1
C[C@H]1CC(CN2CC3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC(C)=O)C[C@@H](C)O1 |r|
CC(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(Cc3cnn(C)c3)c2c1
Clc1ccc2c(CCCC22COc3ccc(cc3N(Cc3cnn(CC=C)c3)C2)S(=O)(=O)NC(=O)CCCC=C)c1
Clc1ccc2c(CCCC22COc3ccc4cc3N(C2)Cc2cnn(C\C=C/CCCCC(=O)NS4(=O)=O)c2)c1 |c:29|
CC(=O)NS(=O)(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)C2CCCC2)c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)OCc2ccccc2)c1 |r|
Cc1cc(CC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(CC4CCC4)c3c2)nn1C |r|
Clc1ccc2c(CCC[C@]22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)Cc2nccs2)c1 |r|
Cc1ccc(CC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(CC4CCC4)c3c2)cn1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)C[C@@H]2CC[C@H]2COc2cccc(CC(=O)NS4(=O)=O)c2)c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)Cc2ccncc2)c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)CCc2ccncc2)c1 |r|
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1
CC(C)(C)OC(=O)N1CCC(CC(=O)NS(=O)(=O)c2ccc3OCC4(CCCc5cc(Cl)ccc45)CN(CC4CCC4)c3c2)CC1
CC(C)(C)OC(=O)N1CCC[C@@H](C1)OC(=O)NS(=O)(=O)c1ccc2OCC3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r|
Clc1ccc2c(CCCC22COc3ccc(cc3N(CC3CCC3)C2)S(=O)(=O)NC(=O)N2CCCC2)c1
Clc1ccc2c(CCCC22COc3ccc4cc3N(C2)CC2CC[C@H]2CSc2cccc(CC(=O)NS4(=O)=O)c2)c1 |r|
CO[C@H]1\C=C\CNC[C@]2(CCC2)C(=O)NS(=O)(=O)c2ccc3OCC4(CCCc5cc(Cl)ccc45)CN(C[C@H]4CCC14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CN(C)CC2(CCC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\COC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\COC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\COC2(CCC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CC1(C)OC\C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,c:5|
CN(C)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
CN(C)C(=O)O[C@H]1\C=C/COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,c:7|
CC1(C)OC\C=C\[C@@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CN(C)C(=O)O[C@@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
O[C@@H]1\C=C\COC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:2|
CN(C)C(=O)O[C@@H]1\C=C\COC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
O[C@H]1\C=C\COC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:2|
CN(C)C(=O)O[C@H]1\C=C\COC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
CO[C@@H]1\C=C\CN(C)C(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CN1C\C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC(=O)C1(C)C |r,t:3|
CN(C)C(=O)O[C@H]1\C=C\CN(C)C(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
COCCN1CCN(CC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:15|
CN(C)C(=O)O[C@H]1\C=C\CN(C)C2(CCC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
CC1(C)OC\C=C\[C@H](OC(=O)N2CC(F)(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CNC(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:6|
COC1CCN(CC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
CN(C)C1CN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:12|
CN(C)[C@@H]1CCN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
CN1CCCN(CC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
CN(C)CCN(C)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:11|
COC1CN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:11|
CCOC1CN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:12|
CO[C@@H]1CCN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:12|
CCO[C@@H]1CCN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
COCCN1CCCN(CC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:16|
CC1(C)OC\C=C\[C@H](OC(=O)N[C@H]2CCOC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OC(=O)N[C@@H]2CCOC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CON(C)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:8|
CN([C@@H]1CCOC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:12|
CN(C)CCO[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
CC1(C)OC\C=C\[C@H](OCCN2CCCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CO[C@@H]1\C=C\CN(CC2(CCC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2)C(=O)OC |r,t:3|
CO[C@@H]1\C=C\CNCC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CCC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C/CCC2(CC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,c:3|
CO[C@@H]1\C=C\CC[C@H](C)CC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CC[C@@H](C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CCCCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\CCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1CCCCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r|
CO[C@H]1CCCCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r|
CO[C@@H]1\C=C\C[C@H](C)[C@@H](C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\C[C@H](C)[C@@H](C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\CCCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\CC[C@@H](C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\C[C@H](C)CC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\CCCCC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\C[C@@H](C)CC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@H]1\C=C\CC[C@H](C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CCC2(CCC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
COC[C@@H]1[C@@H](C)C\C=C\[C@@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:7|
COC[C@@H]1[C@@H](C)C\C=C\[C@@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:7|
COCC[C@@H]1[C@@H](C)C\C=C\[C@@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:8|
CO[C@@H]1\C=C\C[C@H](C)[C@@H](CC(=O)N2CC(F)(F)C2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\C[C@H](C)[C@@H](CC(=O)N(C)C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\C[C@H](C)[C@@H](CC(=O)N2CCOCC2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
COCCOC[C@@H]1[C@@H](C)C\C=C\[C@@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:10|
CO[C@@H]1\C=C\C[C@H](C)[C@@H](CO)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\CC[C@@H](CO)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
COC[C@@H]1CC\C=C\[C@@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:6|
COCCOC[C@@H]1CC\C=C\[C@@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:9|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)C[C@@H]2CC[C@H]2CS(=O)(=O)c2cccc(CC(=O)NS4(=O)=O)c2)c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)C[C@@H]2CC[C@H]2COC\C=C\CCC(=O)NS4(=O)=O)c1 |r,t:32|
CO[C@H]1\C=C\CN2CCC[C@H]2C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
CN1[C@@H]2CCN(C2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4COC1=O)c3c2 |r|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)C[C@@H]2CC[C@H]2COC(=O)N[C@@H]2CCN(C2)C(=O)NS4(=O)=O)c1 |r|
CN1[C@H]2CCN(C2)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4COC1=O)c3c2 |r|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)C[C@@H]2CC[C@H]2COc2cncc(CC(=O)NS4(=O)=O)c2)c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)C[C@@H]2CC[C@H]2COc2cc(CC(=O)NS4(=O)=O)cc(OCCN3CCOCC3)c2)c1 |r|
CO[C@@H]1\C=C\CCNC(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3|
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CC1(C)OC\C=C\[C@H](OCCN2CC[C@@H](F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OCCN2CC[C@H](F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
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CC1(C)OC\C=C\[C@H](OCC(=O)N2CC(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OCC(=O)NC2CCOCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OCC(=O)N2CCCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OCC(=O)N[C@@H]2CCOC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OCC(=O)N[C@H]2CCOC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CN(C)C(=O)OC1CCCOC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r|
CN1C\C=C\[C@H](OCCN2CC(F)(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC(=O)C1(C)C |r,t:3|
CN1C\C=C\[C@H](OCCN2CCC(F)(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC(=O)C1(C)C |r,t:3|
CN1C\C=C\[C@H](OCCN2CCCCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC(=O)C1(C)C |r,t:3|
CC1(C)OC\C=C\[C@H](OCC(=O)N2C[C@@H](F)[C@H](F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1(C)OC\C=C\[C@H](OCC(=O)N2C[C@H](F)[C@H](F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CC1OC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@H]4[C@@H](OC(=O)N(C)C)\C=C\1)c3c2 |r,t:46|
CN(C)C(=O)O[C@@]1(C)\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:8|
CN(C)C(=O)O[C@H]1\C=C\CN2CCC[C@H]2C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:7|
CN1C\C=C\[C@H](OC(=O)N[C@H]2CCOC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC(=O)C11CCC1 |r,t:3|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)CC2CCN(C2)C(=O)Cc2ccn(CC(=O)NS4(=O)=O)n2)c1 |r|
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)CC2CCN(C2)C(=O)Cn2ccc(CC(=O)NS4(=O)=O)n2)c1 |r|
CN(C1COC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@@]4(CN(C[C@@H]5CC[C@@H]15)c3c2)OCCc1cc(Cl)ccc41 |r,t:11|
CN([C@@H]1CCOC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@@]4(CN(C[C@@H]5CC[C@@H]15)c3c2)OCCc1cc(Cl)ccc41 |r,t:12|
CN(C1CCOCC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@@]4(CN(C[C@@H]5CC[C@@H]15)c3c2)OCCc1cc(Cl)ccc41 |r,t:13|
CN([C@@H]1CCOC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:12|
CC1(C)OC\C=C\[C@H](OC(=O)N[C@@H]2CCOC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCOc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CN(C1COC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:11|
CN(C1CCOCC1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
CC1(C)OC\C=C\[C@H](OC(=O)NC2CCOCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCOc4cc(Cl)ccc34)COc3ccc(cc23)S(=O)(=O)NC1=O |r,t:5|
CON(C)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:8|
CN(C)CCN(C)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:11|
CCO[C@@H]1CCN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
COC1CN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:11|
CN(C)[C@@H]1CCN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:13|
CN(C)C1CN(C1)C(=O)O[C@H]1\C=C\COC(C)(C)C(=O)NS(=O)(=O)c2ccc3OC[C@]4(CCOc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:12|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(n1)N1CCc2ccccc2C1 |(-4.87,5.34,;-6.2,6.11,;-6.68,7.57,;-8.22,7.57,;-8.99,8.91,;-8.69,6.11,;-10.03,5.34,;-7.45,5.2,;-7.45,3.66,;-8.78,2.89,;-10.11,3.66,;-8.78,1.35,;-7.45,.58,;-6.11,1.35,;-4.65,.88,;-4.25,-.61,;-5.34,-1.7,;-4.94,-3.19,;-6.03,-4.28,;-5.63,-5.76,;-6.72,-6.85,;-6.32,-8.34,;-7.41,-9.43,;-4.83,-8.74,;-4.44,-10.23,;-3.75,-7.65,;-2.26,-8.05,;-4.14,-6.16,;-3.74,2.12,;-4.65,3.37,;-6.11,2.89,;-2.21,2.12,;-1.44,.79,;-1.44,3.46,;.1,3.46,;.87,4.79,;.1,6.12,;.85,7.5,;2.41,7.46,;3.18,6.12,;2.41,4.79,;4.72,6.12,;5.49,7.46,;7.03,7.46,;7.8,6.12,;9.34,6.12,;10.11,4.79,;9.34,3.46,;7.8,3.46,;7.03,4.79,;5.49,4.79,)|
Cc1c-2c(COC\C=C/Cn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C |c:7|
Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(COC\C=C/Cn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C |c:8|
CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C
Cc1nn(C)c2COC\C=C/Cn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34 |c:9|
Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COC\C=C/Cn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34 |c:10|
Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C
Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4ccc(F)c5ccccc45)c4ccc(F)c-2c34)nn1C
Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCCc45)c4ccc(F)c-2c34)nn1C
Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCc45)c4ccc(F)c-2c34)nn1C
Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(F)c-2c34)nn1C
CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4ccc(F)c5ccccc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCCc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(F)c-2c34)nn1C
Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c(-c12)c34
Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4ccc(F)c5ccccc45)c4ccc(F)c(-c12)c34
Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCCc45)c4ccc(F)c(-c12)c34
Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCc45)c4ccc(F)c(-c12)c34
Cc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4ccc(F)c5ccccc45)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCCc45)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5CCCc45)c4ccc(F)c(-c12)c34
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(F)c(-c12)c34
Cc1c-2c(CNCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C
Cc1c-2c(C[N+](C)(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5CCCc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5CCCCc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C
CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c-2c34)nn1C
C[C@@H]1CN(c2cn(C)c3c(C)cc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12 |r,wD:1.0,(-1.33,5.36,;-1.33,3.82,;.2,3.98,;1.11,2.74,;2.63,2.93,;3.67,1.79,;5.07,2.41,;6.41,1.65,;4.91,3.95,;5.94,5.09,;7.45,4.76,;5.47,6.55,;3.96,6.88,;2.93,5.73,;3.4,4.27,;3.46,8.33,;1.95,8.62,;4.47,9.49,;.48,1.33,;1.42,.11,;-1.05,1.17,;-1.96,-.08,;-1.44,-1.53,;.06,-1.87,;.52,-3.34,;2.02,-3.68,;2.54,-5.13,;4.06,-5.39,;4.59,-6.84,;6.09,-7.16,;3.6,-8.02,;4.05,-9.49,;2.09,-7.76,;1.07,-8.92,;1.56,-6.31,;-3.42,.4,;-4.75,-.37,;-6.09,.4,;-6.09,1.94,;-7.45,2.66,;-4.75,2.71,;-4.75,4.25,;-6,5.15,;-7.43,4.59,;-5.52,6.62,;-3.98,6.62,;-3.51,5.15,;-2.04,4.68,;-3.42,1.94,;-1.96,2.41,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(OCC2CCN(C)C2)c2n(C)c(cc12)C(O)=O |r,wD:1.0,(-1.78,5.52,;-1.78,3.98,;-.25,4.14,;.66,2.89,;.03,1.48,;.96,.26,;-1.5,1.32,;-2.41,.08,;-1.91,-1.38,;-.41,-1.73,;.11,-3.18,;1.61,-3.53,;2.08,-4.99,;3.59,-5.29,;4.1,-6.74,;5.6,-7.07,;3.09,-7.91,;3.57,-9.37,;1.57,-7.61,;.61,-8.82,;1.07,-6.16,;-3.87,.55,;-5.21,-.22,;-6.54,.55,;-6.54,2.09,;-7.91,2.8,;-5.21,2.86,;-5.21,4.4,;-6.45,5.31,;-7.88,4.75,;-5.98,6.77,;-4.44,6.77,;-3.51,8.01,;-3.96,5.31,;-2.5,4.82,;-3.87,2.09,;-2.41,2.57,;2.19,3.04,;3.12,1.82,;4.65,2.01,;5.24,3.43,;6.77,3.62,;7.75,2.42,;7.2,.98,;5.68,.74,;5.45,-.79,;6.82,-1.48,;7.07,-3,;7.91,-.38,;4.31,4.65,;4.61,6.17,;6,6.82,;3.26,6.91,;2.13,5.86,;2.79,4.46,;3.07,8.44,;1.65,9.04,;4.29,9.37,)|
C[C@@H]1CN(c2cn(C)c3c(C)cc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCN(C)CC5)c4C)c3n12 |r,wD:1.0,(-1.33,3.5,;-1.33,1.96,;.2,2.12,;1.1,.88,;2.63,1.05,;3.66,-.1,;5.07,.53,;6.39,-.27,;4.91,2.06,;5.94,3.21,;7.45,2.88,;5.46,4.67,;3.96,4.99,;2.93,3.85,;3.4,2.38,;3.42,6.43,;1.9,6.68,;4.4,7.62,;.48,-.53,;1.42,-1.75,;-1.05,-.69,;-1.96,-1.94,;-1.49,-3.4,;.01,-3.74,;.48,-5.2,;1.99,-5.54,;2.47,-7,;3.99,-7.28,;4.5,-8.73,;6.02,-9,;3.51,-9.9,;3.98,-11.37,;1.99,-9.62,;1.02,-10.82,;1.48,-8.17,;-3.42,-1.46,;-4.76,-2.23,;-6.09,-1.46,;-6.09,.08,;-7.44,.83,;-4.76,.85,;-4.76,2.39,;-6,3.29,;-7.45,2.75,;-5.53,4.76,;-3.99,4.76,;-3.12,6.03,;-3.89,7.37,;-5.43,7.37,;-6.2,8.7,;-5.43,10.03,;-6.2,11.37,;-3.89,10.03,;-3.12,8.7,;-3.51,3.29,;-2.06,2.79,;-3.42,.08,;-1.96,.56,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(CC3CCN(C)C3)c12 |r,wD:1.0,(-.68,5.17,;-.21,3.71,;1.3,3.39,;1.78,1.92,;.74,.78,;1.22,-.69,;-.76,1.1,;-2.01,.19,;-2.01,-1.35,;-3.34,-2.12,;-3.34,-3.66,;-4.68,-4.43,;-4.68,-5.97,;-6.01,-6.74,;-6.01,-8.28,;-7.34,-9.05,;-4.68,-9.05,;-4.68,-10.59,;-3.34,-8.28,;-2.01,-9.05,;-3.34,-6.74,;-3.25,1.1,;-4.76,.78,;-5.79,1.92,;-5.31,3.39,;-6.34,4.53,;-3.81,3.71,;-3.33,6.63,;-1.87,7.11,;-.62,6.2,;-1.87,8.65,;-3.33,9.12,;-3.81,10.59,;-4.24,7.88,;-5.78,7.88,;-2.78,2.56,;-1.24,2.56,;3.28,1.6,;3.76,.14,;5.26,-.18,;6.29,.96,;5.82,2.43,;6.59,3.76,;5.56,4.9,;5.88,6.41,;7.34,6.89,;4.73,7.44,;4.15,4.28,;2.82,5.05,;2.82,6.59,;4.06,7.49,;3.59,8.96,;2.05,8.96,;1.14,10.2,;1.57,7.49,;4.31,2.75,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2nnn(C)c2c1 |(-2.31,5.62,;-3.77,6.13,;-4.24,7.59,;-5.78,7.59,;-6.72,8.81,;-6.26,6.13,;-7.69,5.57,;-5.01,5.22,;-5.06,3.69,;-6.39,2.92,;-7.75,3.64,;-6.39,1.38,;-5.06,.61,;-3.72,1.38,;-2.26,.9,;-1.74,-.55,;-.27,-1.01,;.14,-2.49,;1.63,-2.9,;2,-4.39,;3.51,-4.73,;3.97,-6.2,;5.46,-6.58,;2.92,-7.33,;3.34,-8.81,;1.42,-7,;.4,-8.15,;.96,-5.53,;-1.35,2.15,;.19,2.08,;.8,.67,;1.2,3.24,;.92,4.75,;-.43,5.48,;-1.85,4.88,;-2.26,3.39,;-3.72,2.92,;2.71,2.96,;3.73,4.12,;5.24,3.83,;6.24,5,;7.75,4.72,;5.72,6.45,;5.74,2.37,;7.15,1.77,;7.02,.23,;5.52,-.11,;4.94,-1.54,;4.73,1.21,;3.21,1.5,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-1.49,6,;-1.44,4.46,;.09,4.62,;.99,3.38,;.37,1.97,;1.3,.75,;-1.17,1.81,;-2.07,.56,;-1.57,-.89,;-.08,-1.27,;.38,-2.74,;1.89,-3.07,;2.34,-4.54,;3.86,-4.8,;4.39,-6.24,;5.9,-6.56,;3.41,-7.43,;3.94,-8.87,;1.89,-7.17,;.9,-8.34,;1.36,-5.72,;-3.54,1.04,;-4.87,.27,;-6.2,1.04,;-6.2,2.58,;-7.58,3.27,;-4.87,3.35,;-4.87,4.89,;-6.12,5.79,;-7.56,5.25,;-5.64,7.26,;-4.1,7.26,;-3.33,8.59,;-3.62,5.79,;-2.16,5.32,;-3.54,2.58,;-2.07,3.06,;2.52,3.54,;3.46,2.32,;4.99,2.52,;5.92,1.29,;5.58,3.94,;4.64,5.16,;4.92,6.68,;3.57,7.41,;2.45,6.35,;.94,6.63,;3.11,4.96,;6.31,7.34,;6.43,8.87,;7.58,6.47,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(O)c2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.21,5.51,;-1.21,3.97,;.32,4.13,;1.23,2.88,;.6,1.47,;1.53,.25,;-.93,1.31,;-1.84,.07,;-1.34,-1.39,;.16,-1.74,;.68,-3.19,;2.18,-3.54,;2.65,-5,;4.16,-5.3,;4.67,-6.76,;6.17,-7.08,;3.66,-7.92,;4.14,-9.38,;2.14,-7.62,;1.18,-8.83,;1.64,-6.17,;-3.3,.54,;-4.64,-.23,;-5.97,.54,;-5.97,2.08,;-7.34,2.79,;-4.64,2.85,;-4.64,4.39,;-5.88,5.3,;-7.32,4.74,;-5.41,6.76,;-3.87,6.76,;-2.94,7.99,;-3.39,5.3,;-1.93,4.81,;-3.3,2.08,;-1.84,2.56,;2.76,3.04,;3.69,1.82,;5.22,2.02,;5.81,3.44,;7.34,3.64,;4.87,4.66,;5.15,6.18,;3.8,6.91,;3.6,8.44,;4.82,9.38,;2.18,9.03,;2.68,5.85,;1.17,6.14,;3.35,4.46,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2n(C)nnc2c1 |(-2.67,5.69,;-4.14,6.16,;-4.61,7.63,;-6.15,7.63,;-7.02,8.9,;-6.63,6.16,;-8.06,5.61,;-5.38,5.26,;-5.42,3.72,;-6.78,2.99,;-8.12,3.74,;-6.83,1.45,;-5.52,.64,;-4.16,1.37,;-2.71,.85,;-2.22,-.61,;-.74,-1.02,;-.37,-2.51,;1.11,-2.95,;1.53,-4.43,;.41,-5.48,;.76,-6.98,;-.26,-8.13,;2.23,-7.43,;2.68,-8.9,;3.35,-6.37,;4.84,-6.77,;3,-4.87,;-1.77,2.07,;-.23,1.95,;.38,.54,;.81,3.08,;.58,4.6,;-.75,5.37,;-2.18,4.81,;-2.64,3.34,;-4.11,2.91,;2.33,2.81,;3.32,3.99,;4.84,3.72,;5.88,4.85,;7.38,4.5,;5.42,6.32,;5.36,2.27,;6.8,1.59,;8.12,2.39,;6.62,.06,;5.19,-.22,;4.37,1.09,;2.86,1.36,)|
C[C@@H]1CN(c2nn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,5.37,;-.8,3.83,;.73,4,;1.63,2.75,;3.16,2.92,;4.19,1.78,;5.6,2.4,;6.92,1.6,;5.44,3.93,;6.47,5.08,;5.99,6.54,;4.49,6.86,;3.46,5.72,;3.93,4.25,;3.95,8.3,;2.43,8.56,;4.93,9.49,;1.01,1.34,;1.95,.12,;-.52,1.18,;-1.43,-.06,;-.96,-1.53,;.54,-1.86,;1.01,-3.33,;2.52,-3.67,;3,-5.13,;4.52,-5.4,;5.03,-6.85,;6.55,-7.12,;4.04,-8.03,;4.51,-9.49,;2.52,-7.75,;1.55,-8.95,;2,-6.3,;-2.89,.41,;-4.23,-.36,;-5.56,.41,;-5.56,1.95,;-6.91,2.7,;-4.23,2.72,;-4.23,4.26,;-5.47,5.17,;-6.92,4.63,;-5,6.63,;-3.46,6.63,;-2.59,7.9,;-2.98,5.17,;-1.53,4.66,;-2.89,1.95,;-1.43,2.43,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(CCN(C)C)c12 |r,wD:1.0,(-.63,5.51,;-.63,3.97,;.9,4.13,;1.81,2.88,;1.18,1.47,;2.11,.25,;-.35,1.31,;-1.25,.07,;-.75,-1.39,;.75,-1.74,;1.27,-3.19,;2.77,-3.54,;3.24,-5,;4.75,-5.3,;5.25,-6.76,;6.75,-7.08,;4.24,-7.92,;4.73,-9.38,;2.73,-7.62,;1.77,-8.83,;2.23,-6.17,;-2.72,.54,;-4.05,-.23,;-5.39,.54,;-5.39,2.08,;-6.75,2.79,;-4.05,2.85,;-4.05,4.39,;-5.3,5.3,;-6.73,4.74,;-4.82,6.76,;-3.28,6.76,;-2.36,7.99,;-2.81,5.3,;-1.35,4.81,;-2.72,2.08,;-1.25,2.56,;3.34,3.04,;4.28,1.82,;5.8,2.02,;6.39,3.44,;5.46,4.66,;5.74,6.18,;4.39,6.91,;4.18,8.44,;5.41,9.38,;2.76,9.03,;3.27,5.85,;1.75,6.14,;1.24,7.59,;-.27,7.87,;-.79,9.32,;-1.27,6.7,;3.93,4.46,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C#N |(-2.9,5.73,;-4.38,6.17,;-4.86,7.63,;-6.4,7.63,;-7.36,8.83,;-6.87,6.17,;-8.32,5.63,;-5.63,5.26,;-5.67,3.72,;-7.01,2.95,;-8.37,3.68,;-7.01,1.41,;-5.67,.64,;-4.34,1.41,;-2.87,.94,;-2.43,-.54,;-.94,-.94,;-.52,-2.42,;.95,-2.87,;1.31,-4.37,;.2,-5.43,;.56,-6.93,;-.53,-8.02,;2.04,-7.36,;2.48,-8.83,;3.15,-6.3,;4.64,-6.69,;2.79,-4.8,;-1.97,2.18,;-.43,2.11,;.22,.72,;.58,3.27,;.31,4.79,;-1.05,5.52,;-2.46,4.91,;-2.87,3.43,;-4.34,2.95,;2.09,2.95,;2.63,1.51,;4.15,1.26,;5.13,2.45,;4.59,3.89,;5.3,5.26,;4.22,6.35,;2.84,5.67,;1.5,6.43,;3.07,4.14,;6.83,5.39,;8.37,5.53,)|
CCn1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2cc(ccc12)C(O)=O |r,wD:7.7,(7.59,2.34,;6.24,1.6,;4.93,2.4,;3.52,1.78,;2.49,2.92,;.96,2.75,;.05,4,;-1.48,3.83,;-1.48,5.37,;-2.11,2.43,;-1.2,1.18,;-2.11,-.06,;-1.64,-1.53,;-.13,-1.86,;.34,-3.33,;1.84,-3.67,;2.33,-5.13,;3.84,-5.4,;4.36,-6.85,;5.87,-7.12,;3.36,-8.03,;3.83,-9.49,;1.85,-7.75,;.88,-8.95,;1.33,-6.3,;-3.57,.41,;-4.9,-.36,;-6.24,.41,;-6.24,1.95,;-7.58,2.7,;-4.9,2.72,;-4.9,4.26,;-6.15,5.17,;-7.59,4.63,;-5.67,6.63,;-4.13,6.63,;-3.27,7.9,;-3.66,5.17,;-2.2,4.66,;-3.57,1.95,;.33,1.34,;1.27,.12,;3.26,4.25,;2.78,5.72,;3.81,6.86,;5.32,6.54,;5.79,5.08,;4.76,3.93,;3.27,8.3,;1.75,8.56,;4.25,9.49,)|
COCCOc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2cc(C(O)=O)n(C)c12 |r,wD:11.11,(7.5,-1.65,;8.04,-.21,;7.07,.98,;7.61,2.42,;6.64,3.62,;5.11,3.43,;4.51,2.01,;2.98,1.82,;2.05,3.04,;.52,2.89,;-.38,4.14,;-1.92,3.98,;-1.92,5.52,;-2.54,2.57,;-1.64,1.32,;-2.54,.08,;-2.04,-1.38,;-.54,-1.73,;-.02,-3.18,;1.48,-3.53,;1.95,-4.99,;3.46,-5.29,;3.96,-6.74,;5.47,-7.07,;2.95,-7.91,;3.44,-9.37,;1.44,-7.61,;.48,-8.82,;.94,-6.16,;-4.01,.55,;-5.34,-.22,;-6.67,.55,;-6.67,2.09,;-8.04,2.8,;-5.34,2.86,;-5.34,4.4,;-6.59,5.31,;-8.02,4.75,;-6.11,6.77,;-4.57,6.77,;-3.65,8.01,;-4.09,5.31,;-2.63,4.82,;-4.01,2.09,;-.11,1.48,;.83,.26,;2.65,4.46,;2,5.86,;3.12,6.91,;2.93,8.44,;1.51,9.04,;4.16,9.37,;4.47,6.17,;5.87,6.82,;4.18,4.65,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ncn(C)c2c1 |(-2.29,5.67,;-3.76,6.12,;-4.24,7.59,;-5.78,7.59,;-6.64,8.86,;-6.25,6.12,;-7.69,5.57,;-5.01,5.22,;-5.05,3.68,;-6.39,2.91,;-7.74,3.65,;-6.39,1.37,;-5.05,.6,;-3.72,1.37,;-2.25,.89,;-1.77,-.57,;-.28,-.99,;.13,-2.47,;1.62,-2.87,;1.94,-4.38,;.82,-5.44,;1.19,-6.94,;.1,-8.03,;2.66,-7.37,;3.07,-8.86,;3.78,-6.31,;5.26,-6.72,;3.42,-4.82,;-1.35,2.14,;.19,2.07,;.81,.66,;1.2,3.23,;.93,4.74,;-.43,5.47,;-1.84,4.87,;-2.25,3.38,;-3.72,2.91,;2.71,2.91,;3.69,4.1,;5.21,3.84,;6.23,5,;7.74,4.69,;5.75,6.46,;5.75,2.4,;7.18,1.84,;7.09,.3,;5.6,-.08,;5.04,-1.52,;4.77,1.21,;3.25,1.47,)|
C[C@@H]1CN(c2nn(C)c3c(cccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.85,6.17,;-1.85,4.63,;-.32,4.79,;.59,3.54,;2.12,3.71,;3.15,2.57,;4.56,3.2,;5.87,2.4,;4.39,4.73,;5.42,5.87,;4.95,7.34,;3.44,7.66,;2.41,6.51,;2.89,5.05,;6.93,5.55,;7.96,6.7,;7.41,4.09,;-.04,2.14,;.9,.92,;-1.57,1.98,;-2.48,.73,;-2.01,-.74,;-.5,-1.07,;-.03,-2.54,;1.47,-2.87,;1.96,-4.33,;3.47,-4.61,;3.99,-6.06,;5.51,-6.33,;2.99,-7.23,;3.46,-8.7,;1.48,-6.96,;.51,-8.15,;.96,-5.5,;-3.94,1.21,;-5.27,.44,;-6.61,1.21,;-6.61,2.75,;-7.95,3.5,;-5.27,3.52,;-5.27,5.06,;-6.52,5.96,;-7.96,5.42,;-6.04,7.43,;-4.5,7.43,;-3.64,8.7,;-4.03,5.96,;-2.57,5.46,;-3.94,2.75,;-2.48,3.22,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC3CCOCC3)c12 |r,wD:1.0,(-.63,5.29,;-.63,3.75,;.9,3.91,;1.81,2.67,;1.18,1.26,;2.11,.04,;-.35,1.1,;-1.25,-.15,;-.75,-1.6,;.75,-1.95,;1.27,-3.4,;2.77,-3.75,;3.24,-5.22,;4.75,-5.51,;5.25,-6.97,;6.75,-7.3,;4.24,-8.13,;4.73,-9.59,;2.73,-7.84,;1.77,-9.04,;2.23,-6.38,;-2.72,.33,;-4.05,-.44,;-5.39,.33,;-5.39,1.87,;-6.75,2.58,;-4.05,2.64,;-4.05,4.18,;-5.3,5.09,;-6.73,4.52,;-4.82,6.55,;-3.28,6.55,;-2.36,7.78,;-2.81,5.09,;-1.35,4.6,;-2.72,1.87,;-1.25,2.35,;3.34,2.82,;4.27,1.59,;5.8,1.78,;6.73,.56,;6.4,3.2,;5.47,4.43,;5.76,5.94,;4.41,6.69,;4.22,8.22,;5.45,9.14,;2.8,8.81,;3.29,5.63,;1.77,5.93,;.69,7.01,;1.08,8.5,;-.01,9.59,;-1.49,9.19,;-1.89,7.7,;-.8,6.62,;3.94,4.24,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-2.38,5.64,;-1.47,4.4,;.06,4.56,;.96,3.31,;.34,1.91,;1.24,.66,;-1.19,1.75,;-2.1,.5,;-1.7,-.99,;-.21,-1.39,;.19,-2.87,;1.67,-3.27,;2.07,-4.76,;.98,-5.85,;1.38,-7.34,;.29,-8.43,;2.87,-7.74,;3.27,-9.22,;3.96,-6.65,;5.45,-7.04,;3.56,-5.16,;-3.56,.98,;-4.9,.21,;-6.23,.98,;-6.23,2.52,;-7.56,3.29,;-4.9,3.29,;-4.9,6.14,;-3.56,6.91,;-2.23,6.14,;-3.56,8.45,;-4.9,9.22,;-6.23,8.45,;-6.23,6.91,;-7.56,6.14,;-3.56,2.52,;-2.1,2.99,;2.5,3.47,;3.43,2.25,;4.96,2.44,;5.55,3.86,;4.62,5.09,;4.91,6.6,;3.56,7.34,;2.43,6.29,;.92,6.57,;3.09,4.89,;6.3,7.26,;6.43,8.79,;7.56,6.38,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(OCc2ccccc2)c2n(C)c(cc12)C(O)=O |r,wD:1.0,(-1.92,5.52,;-1.92,3.98,;-.38,4.14,;.52,2.89,;-.11,1.48,;.83,.26,;-1.64,1.32,;-2.54,.08,;-2.04,-1.38,;-.54,-1.73,;-.02,-3.18,;1.48,-3.53,;1.95,-4.99,;3.46,-5.29,;3.96,-6.74,;5.47,-7.07,;2.95,-7.91,;3.44,-9.37,;1.44,-7.61,;.48,-8.82,;.94,-6.16,;-4.01,.55,;-5.34,-.22,;-6.67,.55,;-6.67,2.09,;-8.04,2.8,;-5.34,2.86,;-5.34,4.4,;-6.59,5.31,;-8.02,4.75,;-6.11,6.77,;-4.57,6.77,;-3.65,8.01,;-4.09,5.31,;-2.63,4.82,;-4.01,2.09,;-2.54,2.57,;2.05,3.04,;2.98,1.82,;4.51,2.01,;5.11,3.43,;6.64,3.62,;7.61,2.42,;7.07,.98,;5.55,.74,;5,-.7,;5.98,-1.9,;7.5,-1.65,;8.04,-.21,;4.18,4.65,;4.47,6.17,;5.87,6.82,;3.12,6.91,;2,5.86,;2.65,4.46,;2.93,8.44,;1.51,9.04,;4.16,9.37,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccnc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-.82,5.65,;-.82,4.11,;.71,4.27,;1.62,3.02,;.99,1.62,;1.9,.37,;-.54,1.46,;-1.44,.21,;-1.05,-1.28,;.44,-1.68,;.84,-3.16,;2.33,-3.56,;2.73,-5.05,;1.64,-6.14,;2.04,-7.63,;.95,-8.72,;3.52,-8.02,;3.92,-9.51,;4.61,-6.94,;6.1,-7.33,;4.21,-5.45,;-2.91,.69,;-4.24,-.08,;-5.58,.69,;-5.58,2.23,;-6.91,3,;-4.24,3,;-4.24,4.54,;-5.49,5.44,;-6.95,4.97,;-5.01,6.91,;-3.47,6.91,;-2.7,8.24,;-3,5.44,;-1.53,4.97,;-2.91,2.23,;-1.44,2.7,;3.15,3.18,;4.08,1.96,;5.61,2.15,;6.21,3.57,;5.27,4.8,;5.56,6.31,;6.95,6.97,;4.21,7.05,;3.09,6,;3.75,4.6,;4.02,8.58,;2.6,9.18,;5.24,9.51,)|
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C[C@@H]1CN(c2cc3c(cccc3n2C)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.66,6.33,;-1.66,4.79,;-.13,4.95,;.78,3.7,;2.31,3.87,;3.37,2.74,;4.76,3.4,;6.18,2.8,;7.4,3.74,;7.21,5.26,;5.79,5.86,;4.56,4.93,;3.05,5.22,;2.39,6.61,;6.37,1.28,;7.79,.68,;5.15,.34,;.15,2.3,;1.06,1.05,;-1.38,2.14,;-2.28,.89,;-1.89,-.6,;-.4,-1,;0,-2.48,;1.49,-2.88,;1.89,-4.37,;.8,-5.46,;1.2,-6.95,;.11,-8.03,;2.68,-7.34,;3.08,-8.83,;3.77,-6.26,;5.26,-6.65,;3.37,-4.77,;-3.75,1.37,;-5.08,.6,;-6.42,1.37,;-6.42,2.91,;-7.75,3.68,;-5.08,3.68,;-5.08,5.22,;-6.33,6.12,;-7.79,5.65,;-5.85,7.59,;-4.31,7.59,;-3.41,8.83,;-3.84,6.12,;-2.37,5.65,;-3.75,2.91,;-2.28,3.38,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ncccn3)c12 |r,wD:1.0,(-.63,5.29,;-.63,3.75,;.9,3.91,;1.81,2.67,;1.18,1.26,;2.11,.04,;-.35,1.1,;-1.25,-.15,;-.75,-1.6,;.75,-1.95,;1.27,-3.4,;2.77,-3.75,;3.24,-5.22,;4.75,-5.51,;5.25,-6.97,;6.75,-7.3,;4.24,-8.13,;4.73,-9.59,;2.73,-7.84,;1.77,-9.04,;2.23,-6.38,;-2.72,.33,;-4.05,-.44,;-5.39,.33,;-5.39,1.87,;-6.75,2.58,;-4.05,2.64,;-4.05,4.18,;-5.3,5.09,;-6.73,4.52,;-4.82,6.55,;-3.28,6.55,;-2.36,7.78,;-2.81,5.09,;-1.35,4.6,;-2.72,1.87,;-1.25,2.35,;3.34,2.82,;4.27,1.59,;5.8,1.78,;6.4,3.2,;5.47,4.43,;5.76,5.94,;4.41,6.69,;4.22,8.22,;5.45,9.14,;2.8,8.81,;3.29,5.63,;1.77,5.93,;.69,7.01,;1.08,8.5,;-.01,9.59,;-1.49,9.19,;-1.89,7.7,;-.8,6.62,;3.94,4.24,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2n(C)cc(C(O)=O)c2c1 |r,wD:1.0,(-1.82,5.93,;-1.82,4.39,;-.29,4.55,;.62,3.3,;-.01,1.89,;.94,.68,;-1.54,1.73,;-2.45,.49,;-1.96,-.97,;-.46,-1.34,;.05,-2.79,;1.55,-3.13,;2.04,-4.59,;3.57,-4.8,;4.15,-6.23,;5.65,-6.55,;3.2,-7.44,;3.72,-8.89,;1.68,-7.23,;.71,-8.43,;1.1,-5.8,;-3.91,.96,;-5.25,.19,;-6.58,.96,;-6.58,2.5,;-7.92,3.26,;-5.25,3.27,;-5.2,4.81,;-6.44,5.72,;-7.87,5.13,;-5.97,7.18,;-4.43,7.18,;-3.54,8.44,;-3.95,5.72,;-2.48,5.26,;-3.91,2.5,;-2.45,2.98,;2.14,3.49,;3.04,2.23,;4.57,2.37,;5.21,3.77,;6.68,4.23,;7.92,3.32,;6.7,5.77,;5.24,6.27,;4.71,7.71,;3.19,7.97,;5.7,8.89,;4.32,5.03,;2.79,4.89,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC3CCN(C)C3)c12 |r,wD:1.0,(-.63,4.63,;-.63,3.09,;.9,3.25,;1.81,2,;1.18,.59,;2.11,-.63,;-.35,.43,;-1.25,-.81,;-.75,-2.27,;.75,-2.62,;1.27,-4.07,;2.77,-4.42,;3.24,-5.88,;4.75,-6.18,;5.25,-7.63,;6.75,-7.96,;4.24,-8.8,;4.73,-10.26,;2.73,-8.5,;1.77,-9.7,;2.23,-7.05,;-2.72,-.34,;-4.05,-1.11,;-5.39,-.34,;-5.39,1.2,;-6.75,1.91,;-4.05,1.97,;-4.05,3.51,;-5.3,4.42,;-6.73,3.86,;-4.82,5.88,;-3.28,5.88,;-2.36,7.12,;-2.81,4.42,;-1.35,3.93,;-2.72,1.2,;-1.25,1.68,;3.34,2.15,;4.27,.93,;5.8,1.12,;6.73,-.11,;6.4,2.54,;5.47,3.76,;5.76,5.28,;4.41,6.02,;4.22,7.55,;5.45,8.48,;2.8,8.15,;3.29,4.97,;1.77,5.26,;.69,6.35,;-.85,6.35,;-1.33,7.81,;-.08,8.72,;-.08,10.26,;1.16,7.81,;3.94,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2cnn(CCN3CCOCC3)c2c1 |(-3.66,5.62,;-5.11,6.13,;-5.59,7.59,;-7.13,7.59,;-8.07,8.81,;-7.6,6.13,;-9.04,5.57,;-6.36,5.22,;-6.4,3.69,;-7.74,2.92,;-9.1,3.64,;-7.74,1.38,;-6.4,.61,;-5.07,1.38,;-3.6,.9,;-3.09,-.55,;-1.62,-1.01,;-1.2,-2.49,;.28,-2.9,;.66,-4.39,;2.16,-4.73,;2.62,-6.2,;4.11,-6.58,;1.58,-7.33,;1.99,-8.81,;.07,-7,;-.95,-8.15,;-.39,-5.53,;-2.7,2.15,;-1.16,2.08,;-.54,.67,;-.15,3.24,;-.42,4.75,;-1.78,5.48,;-3.19,4.88,;-3.6,3.39,;-5.07,2.92,;1.37,2.96,;2.38,4.12,;3.89,3.83,;4.89,5,;6.4,4.72,;4.37,6.45,;4.39,2.37,;5.81,1.77,;5.67,.23,;4.17,-.11,;3.59,-1.54,;4.54,-2.75,;6.06,-2.54,;7.06,-3.72,;8.57,-3.45,;9.1,-2,;8.1,-.82,;6.59,-1.09,;3.38,1.21,;1.87,1.5,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccnc2ccc(cc12)C(O)=O |r,wD:1.0,(-.69,5.27,;-.69,3.73,;.84,3.89,;1.75,2.65,;1.12,1.24,;2.07,.03,;-.41,1.08,;-1.31,-.17,;-.83,-1.63,;.67,-1.99,;1.18,-3.44,;2.69,-3.78,;3.17,-5.24,;4.7,-5.45,;5.28,-6.88,;6.79,-7.2,;4.33,-8.09,;4.85,-9.55,;2.81,-7.88,;1.84,-9.08,;2.23,-6.46,;-2.78,.31,;-4.11,-.46,;-5.45,.31,;-5.45,1.85,;-6.79,2.61,;-4.11,2.62,;-4.07,4.16,;-5.31,5.07,;-6.73,4.48,;-4.84,6.53,;-3.3,6.53,;-2.41,7.79,;-2.82,5.07,;-1.35,4.61,;-2.78,1.85,;-1.31,2.33,;3.28,2.83,;4.17,1.58,;5.7,1.72,;6.34,3.12,;5.45,4.38,;6.1,5.78,;5.2,7.03,;3.67,6.89,;3.03,5.49,;3.92,4.23,;2.78,8.15,;1.25,8,;3.42,9.55,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCC2CCN(C)C2)cc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-1.8,5.5,;-1.8,3.96,;-.27,4.12,;.63,2.88,;.01,1.47,;.94,.24,;-1.52,1.31,;-2.43,.06,;-1.96,-1.4,;-.46,-1.75,;.01,-3.22,;1.51,-3.56,;2,-5.02,;3.52,-5.28,;4.05,-6.73,;5.55,-7.07,;3.07,-7.91,;3.55,-9.37,;1.55,-7.65,;.59,-8.86,;1.02,-6.2,;-3.89,.54,;-5.23,-.23,;-6.56,.54,;-6.56,2.08,;-7.93,2.78,;-5.23,2.85,;-5.18,4.39,;-6.42,5.29,;-7.86,4.73,;-5.95,6.76,;-4.41,6.76,;-3.51,8.01,;-3.93,5.29,;-2.47,4.8,;-3.89,2.08,;-2.43,2.55,;2.17,3.04,;3.1,1.81,;4.63,2.01,;5.57,.79,;4.98,-.63,;5.91,-1.85,;7.45,-1.85,;7.93,-3.32,;6.68,-4.22,;6.68,-5.76,;5.44,-3.32,;5.22,3.44,;4.28,4.66,;4.56,6.17,;5.95,6.84,;3.21,6.91,;2.09,5.85,;2.76,4.46,;3.01,8.44,;1.59,9.03,;4.23,9.37,)|
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CCn1cc(C(O)=O)c2c(cccc12)N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |r,wD:16.18,(7.61,6.45,;6.38,7.37,;4.96,6.76,;3.64,7.54,;2.48,6.53,;.98,6.86,;.52,8.33,;-.06,5.73,;3.09,5.11,;2.45,3.71,;3.34,2.46,;4.88,2.6,;5.52,4,;4.63,5.26,;.92,3.53,;.02,4.77,;-1.51,4.61,;-1.51,6.15,;-2.14,3.2,;-1.24,1.96,;-2.14,.71,;-1.65,-.75,;-.16,-1.11,;.36,-2.56,;1.86,-2.9,;2.35,-4.36,;3.87,-4.57,;4.45,-6,;5.96,-6.32,;3.51,-7.22,;4.02,-8.67,;1.98,-7,;1.01,-8.2,;1.4,-5.58,;-3.61,1.19,;-4.94,.42,;-6.27,1.19,;-6.27,2.73,;-7.61,3.49,;-4.94,3.5,;-4.89,5.04,;-6.14,5.94,;-7.56,5.35,;-5.66,7.41,;-4.12,7.41,;-3.24,8.67,;-3.65,5.94,;-2.18,5.48,;-3.61,2.73,;.3,2.12,;1.24,.9,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(N)=O)n(C)c12 |r,wD:1.0,(-.63,5.5,;-.63,3.96,;.9,4.12,;1.81,2.88,;1.18,1.47,;2.09,.22,;-.35,1.31,;-1.25,.06,;-.77,-1.4,;.74,-1.73,;1.24,-3.18,;2.74,-3.53,;3.23,-5,;4.74,-5.29,;5.24,-6.74,;6.74,-7.07,;4.23,-7.91,;4.7,-9.37,;2.72,-7.61,;1.73,-8.79,;2.22,-6.16,;-2.72,.54,;-4.05,-.23,;-5.39,.54,;-5.39,2.08,;-6.74,2.8,;-4.05,2.85,;-4.05,4.39,;-5.3,5.29,;-6.73,4.73,;-4.82,6.76,;-3.28,6.76,;-2.37,8,;-2.81,5.29,;-1.34,4.82,;-2.72,2.08,;-1.25,2.55,;3.34,3.04,;4.28,1.81,;5.8,2.01,;6.74,.79,;6.39,3.44,;5.46,4.66,;5.74,6.17,;4.39,6.91,;4.19,8.44,;5.41,9.37,;2.76,9.03,;3.27,5.85,;1.75,6.13,;3.93,4.46,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(C(O)=O)n(C)nc12 |(6.87,7.64,;5.33,7.68,;4.43,8.93,;2.96,8.45,;1.7,9.34,;2.96,6.91,;1.74,5.98,;4.43,6.44,;4.93,4.98,;6.44,4.68,;7.53,5.77,;6.94,3.23,;5.92,2.07,;4.41,2.37,;3.18,1.44,;3.18,-.1,;4.52,-.86,;4.52,-2.4,;5.84,-3.18,;5.84,-4.72,;7.18,-5.49,;7.18,-7.03,;8.54,-7.75,;5.84,-7.8,;5.84,-9.34,;4.51,-7.03,;3.17,-7.79,;4.51,-5.49,;1.92,2.33,;.49,1.77,;.35,.23,;-.85,2.54,;-1.08,4.06,;-.03,5.19,;1.51,5.07,;2.38,3.8,;3.92,3.82,;-2.2,1.81,;-2.2,.27,;-3.54,-.5,;-4.87,.27,;-4.87,1.81,;-6.02,2.84,;-7.53,2.55,;-8.54,3.71,;-8.03,1.09,;-5.39,4.25,;-6.21,5.55,;-3.86,4.09,;-3.54,2.58,)|
C[C@@H]1CN(c2cc3cc(ccc3n2C)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.8,6.15,;-2.8,4.61,;-1.27,4.77,;-.36,3.53,;1.17,3.71,;2.25,2.62,;3.62,3.31,;5.06,2.74,;6.26,3.7,;6.03,5.23,;4.6,5.79,;3.39,4.83,;1.87,5.08,;1.18,6.46,;7.69,3.14,;8.9,4.1,;7.93,1.62,;-.99,2.12,;-.04,.9,;-2.52,1.96,;-3.43,.71,;-2.94,-.75,;-1.44,-1.11,;-.93,-2.56,;.57,-2.9,;1.06,-4.36,;2.59,-4.57,;3.17,-6,;4.67,-6.32,;2.22,-7.22,;2.74,-8.67,;.7,-7,;-.27,-8.2,;.12,-5.58,;-4.89,1.19,;-6.22,.42,;-7.56,1.19,;-7.56,2.73,;-8.9,3.49,;-6.22,3.5,;-6.18,5.04,;-7.42,5.94,;-8.85,5.35,;-6.95,7.41,;-5.41,7.41,;-4.52,8.67,;-4.93,5.94,;-3.46,5.48,;-4.89,2.73,;-3.43,3.2,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCc2ccccc2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.03,5.5,;-2.03,3.96,;-.5,4.12,;.41,2.88,;-.22,1.47,;.69,.22,;-1.75,1.31,;-2.66,.06,;-2.17,-1.4,;-.67,-1.73,;-.16,-3.18,;1.34,-3.53,;1.82,-5,;3.33,-5.29,;3.84,-6.74,;5.34,-7.07,;2.83,-7.91,;3.3,-9.37,;1.31,-7.61,;.32,-8.79,;.81,-6.16,;-4.12,.54,;-5.46,-.23,;-6.79,.54,;-6.79,2.08,;-8.15,2.8,;-5.46,2.85,;-5.46,4.39,;-6.7,5.29,;-8.14,4.73,;-6.23,6.76,;-4.69,6.76,;-3.78,8,;-4.21,5.29,;-2.74,4.82,;-4.12,2.08,;-2.66,2.55,;1.94,3.04,;2.87,1.81,;4.4,2.01,;5.34,.79,;4.75,-.63,;5.68,-1.85,;5.1,-3.27,;6.03,-4.5,;7.56,-4.3,;8.15,-2.87,;7.21,-1.65,;4.99,3.44,;4.05,4.66,;4.33,6.17,;2.98,6.91,;2.78,8.44,;4,9.37,;1.36,9.03,;1.86,5.85,;.35,6.13,;2.53,4.46,)|
CC(=O)N1CCN(CC1)c1cc(cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)n1)C(O)=O |(9.86,1.99,;9.46,3.48,;10.55,4.57,;7.97,3.88,;7.45,5.33,;5.94,5.6,;4.94,4.43,;5.46,2.98,;6.97,2.7,;3.44,4.77,;2.9,6.21,;1.38,6.47,;.4,5.28,;.94,3.84,;-.07,2.68,;-1.58,2.98,;-1.86,4.49,;-3.21,5.22,;-4.63,4.62,;-5.04,3.13,;-4.13,1.89,;-5.04,.64,;-4.57,-.82,;-3.09,-1.25,;-2.71,-2.75,;-1.24,-3.19,;-.83,-4.67,;-1.87,-5.81,;-1.4,-7.28,;-2.44,-8.41,;.1,-7.61,;.5,-9.1,;1.14,-6.47,;2.63,-6.86,;.67,-5.01,;-6.5,1.12,;-7.84,.35,;-9.17,1.12,;-9.17,2.66,;-10.55,3.35,;-7.84,3.43,;-7.79,4.97,;-6.54,5.87,;-5.07,5.4,;-7.02,7.34,;-8.56,7.34,;-9.51,8.54,;-9.03,5.87,;-10.5,5.42,;-6.5,2.66,;-2.59,1.82,;-2.01,.4,;2.46,3.58,;.85,7.91,;-.67,8.17,;1.83,9.1,)|
C[C@@H]1CN(c2nn(C)c3cccc(C(O)=O)c23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,6.17,;-.8,4.63,;.73,4.79,;1.63,3.54,;3.16,3.71,;4.19,2.57,;5.6,3.2,;6.92,2.4,;5.44,4.73,;6.47,5.87,;5.99,7.34,;4.49,7.66,;3.46,6.51,;1.95,6.83,;1.48,8.3,;.92,5.69,;3.93,5.05,;1.01,2.14,;1.95,.92,;-.52,1.98,;-1.43,.73,;-.96,-.74,;.54,-1.07,;1.01,-2.54,;2.52,-2.87,;3,-4.33,;4.52,-4.61,;5.03,-6.06,;6.55,-6.33,;4.04,-7.23,;4.51,-8.7,;2.52,-6.96,;1.55,-8.15,;2,-5.5,;-2.89,1.21,;-4.23,.44,;-5.56,1.21,;-5.56,2.75,;-6.91,3.5,;-4.23,3.52,;-4.23,5.06,;-5.47,5.96,;-6.92,5.42,;-5,7.43,;-3.46,7.43,;-2.59,8.7,;-2.98,5.96,;-1.53,5.46,;-2.89,2.75,;-1.43,3.22,)|
COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2cc(C(O)=O)n(C)c2c1 |r,wD:7.7,(5.8,-.69,;6.42,.72,;5.52,1.96,;3.98,1.82,;3.09,3.08,;1.56,2.88,;.66,4.13,;-.87,3.97,;-.87,5.51,;-1.5,2.56,;-.59,1.32,;-1.5,.07,;-1.01,-1.39,;.49,-1.72,;.98,-3.18,;2.48,-3.53,;2.97,-4.99,;4.48,-5.28,;4.98,-6.74,;6.48,-7.07,;3.97,-7.9,;4.44,-9.37,;2.46,-7.61,;1.49,-8.81,;1.96,-6.15,;-2.96,.55,;-4.3,-.22,;-5.63,.55,;-5.63,2.09,;-6.99,2.81,;-4.3,2.86,;-4.25,4.4,;-5.5,5.3,;-6.94,4.76,;-5.02,6.77,;-3.48,6.77,;-2.59,8.03,;-3,5.3,;-1.54,4.83,;-2.96,2.09,;.94,1.48,;1.81,.21,;3.73,4.48,;3.12,5.89,;4.28,6.91,;4.08,8.43,;2.66,9.03,;5.31,9.37,;5.6,6.12,;6.99,6.79,;5.27,4.62,;6.16,3.36,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc2CCOc2c(c1)C(O)=O |(-2.29,5.68,;-3.76,6.15,;-4.24,7.62,;-5.78,7.62,;-6.75,8.81,;-6.25,6.15,;-7.69,5.6,;-5.01,5.25,;-5.05,3.71,;-6.38,2.94,;-7.75,3.64,;-6.38,1.4,;-5.05,.63,;-3.72,1.4,;-2.25,.92,;-1.74,-.53,;-.26,-.98,;.15,-2.46,;1.64,-2.86,;1.99,-4.36,;3.49,-4.73,;3.92,-6.21,;5.41,-6.59,;2.85,-7.32,;3.25,-8.81,;1.36,-6.95,;.31,-8.08,;.93,-5.47,;-1.35,2.17,;.19,2.1,;.79,.68,;1.2,3.26,;.93,4.77,;-.43,5.5,;-1.84,4.9,;-2.25,3.41,;-3.72,2.94,;2.71,2.95,;3.21,1.49,;4.72,1.19,;5.5,-.14,;7,.2,;7.15,1.73,;5.73,2.34,;5.24,3.8,;3.73,4.1,;6.24,4.97,;7.75,4.69,;5.72,6.42,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cn(C)c3cc(ccc23)C(O)=O)cc(C)c1Cl |(4.55,-6.47,;3.07,-6.06,;2.72,-4.56,;1.24,-4.11,;.89,-2.62,;-.59,-2.18,;-.99,-.7,;-2.47,-.26,;-2.97,1.2,;-2.07,2.44,;-.53,2.37,;.07,.95,;.49,3.53,;.21,5.05,;-1.14,5.78,;-2.56,5.17,;-2.97,3.69,;-4.44,3.21,;-5.77,3.98,;-7.1,3.21,;-8.47,3.92,;-7.1,1.67,;-5.77,.9,;-4.44,1.67,;-5.77,5.52,;-4.44,6.29,;-3.09,5.55,;-4.44,7.83,;-5.77,8.6,;-7.1,7.83,;-7.1,6.29,;-8.4,5.47,;1.99,3.21,;2.62,1.81,;4.15,1.97,;5.18,.82,;4.47,3.47,;5.8,4.24,;5.8,5.78,;4.47,6.55,;3.14,5.78,;3.14,4.24,;7.14,6.55,;7.14,8.09,;8.47,5.78,;.12,-5.17,;.47,-6.67,;-.57,-7.8,;1.95,-7.11,;2.34,-8.6,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(=N)NO)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.12,5.56,;-2.12,4.02,;-.59,4.18,;.32,2.94,;1.85,3.09,;2.88,1.95,;4.29,2.57,;5.62,1.8,;4.12,4.1,;5.16,5.25,;4.68,6.71,;3.17,7.03,;2.14,5.89,;2.62,4.42,;5.71,7.86,;5.23,9.32,;7.22,7.54,;8.25,8.68,;-.31,1.53,;.62,.3,;-1.84,1.37,;-2.75,.12,;-2.24,-1.33,;-.75,-1.68,;-.23,-3.13,;1.27,-3.48,;1.74,-4.95,;3.26,-5.24,;3.76,-6.7,;5.26,-7.03,;2.75,-7.86,;3.23,-9.32,;1.23,-7.57,;.27,-8.77,;.73,-6.11,;-4.21,.6,;-5.55,-.17,;-6.88,.6,;-6.88,2.14,;-8.25,2.85,;-5.55,2.91,;-5.55,4.45,;-6.79,5.35,;-8.22,4.79,;-6.32,6.82,;-4.78,6.82,;-3.85,8.05,;-4.3,5.35,;-2.84,4.87,;-4.21,2.14,;-2.75,2.62,)|
CC[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1ccc(C(O)=O)c2ncccc12 |r,wU:2.1,(-.41,7.56,;.49,6.31,;-.13,4.91,;-1.66,4.75,;-2.29,3.34,;-1.39,2.09,;-2.29,.85,;-1.89,-.64,;-.4,-1.04,;-.01,-2.53,;1.48,-2.93,;1.88,-4.41,;.79,-5.5,;1.19,-6.99,;.1,-8.08,;2.68,-7.39,;3.08,-8.88,;3.77,-6.3,;5.25,-6.7,;3.37,-4.81,;-3.75,1.32,;-5.09,.55,;-6.42,1.32,;-6.42,2.86,;-7.76,3.63,;-5.09,3.63,;-5.09,5.17,;-6.33,6.08,;-7.82,5.68,;-5.86,7.54,;-4.32,7.54,;-3.55,8.88,;-3.84,6.08,;-2.36,5.68,;-3.75,2.86,;.15,2.25,;1.05,1.01,;.77,3.66,;2.3,3.82,;2.89,5.24,;4.42,5.44,;5.36,4.22,;6.89,4.42,;7.47,5.85,;7.82,3.2,;4.77,2.8,;5.71,1.58,;5.12,.15,;3.59,-.05,;2.65,1.18,;3.24,2.6,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12 |r,wD:1.0,(-1.74,5.22,;-.84,3.98,;.69,4.14,;1.6,2.89,;3.13,3.05,;4.19,1.93,;5.58,2.59,;6.93,1.85,;5.38,4.12,;6.39,5.28,;5.88,6.74,;4.37,7.02,;3.36,5.86,;3.87,4.4,;3.86,8.48,;2.35,8.76,;4.87,9.64,;.97,1.49,;1.88,.24,;-.56,1.32,;-1.46,.08,;-1.06,-1.41,;.42,-1.81,;.82,-3.3,;2.31,-3.69,;2.71,-5.18,;1.62,-6.27,;2.02,-7.76,;.93,-8.85,;3.5,-8.16,;3.9,-9.64,;4.59,-7.07,;6.08,-7.47,;4.19,-5.58,;-2.93,.55,;-4.26,-.22,;-5.6,.55,;-5.6,2.09,;-6.93,2.86,;-4.26,2.86,;-4.26,5.72,;-2.93,6.49,;-1.59,5.72,;-2.93,8.03,;-4.26,8.8,;-5.6,8.03,;-5.6,6.49,;-6.93,5.72,;-2.93,2.09,;-1.46,2.57,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2c(C)c(C(O)=O)n(C)c12 |r,wD:1.0,(-.87,5.51,;-.87,3.97,;.66,4.13,;1.56,2.88,;.94,1.48,;1.81,.21,;-.59,1.32,;-1.5,.07,;-1.01,-1.39,;.49,-1.72,;.98,-3.18,;2.48,-3.53,;2.97,-4.99,;4.48,-5.28,;4.98,-6.74,;6.48,-7.07,;3.97,-7.9,;4.44,-9.37,;2.46,-7.61,;1.49,-8.81,;1.96,-6.15,;-2.96,.55,;-4.3,-.22,;-5.63,.55,;-5.63,2.09,;-6.99,2.81,;-4.3,2.86,;-4.25,4.4,;-5.5,5.3,;-6.94,4.76,;-5.02,6.77,;-3.48,6.77,;-2.59,8.03,;-3,5.3,;-1.54,4.83,;-2.96,2.09,;-1.5,2.56,;3.09,3.08,;3.98,1.82,;5.52,1.96,;6.42,.72,;6.16,3.36,;5.27,4.62,;5.6,6.12,;6.99,6.79,;4.28,6.91,;4.08,8.43,;5.31,9.37,;2.66,9.03,;3.12,5.89,;1.62,6.23,;3.73,4.48,)|
CC[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wU:2.1,(.39,6.64,;1.3,5.39,;.67,3.99,;-.86,3.83,;-1.49,2.42,;-.58,1.17,;-1.49,-.07,;-1.01,-1.54,;.46,-1.97,;.84,-3.46,;2.31,-3.91,;2.72,-5.39,;1.68,-6.53,;2.15,-8,;1.11,-9.13,;3.65,-8.33,;4.05,-9.81,;4.69,-7.19,;6.18,-7.57,;4.23,-5.72,;-2.95,.4,;-4.28,-.37,;-5.62,.4,;-5.62,1.94,;-7,2.63,;-4.28,2.71,;-4.23,4.25,;-5.48,5.16,;-6.95,4.7,;-5,6.62,;-3.46,6.62,;-2.69,7.96,;-2.99,5.16,;-1.52,4.68,;-2.95,1.94,;.95,1.33,;1.86,.09,;1.58,2.74,;3.11,2.9,;3.7,4.32,;2.76,5.55,;3.35,6.97,;4.88,7.17,;5.82,5.95,;5.23,4.52,;5.47,8.59,;7,8.79,;4.53,9.81,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.69,5.44,;-.69,3.9,;.84,4.06,;1.75,2.82,;1.12,1.41,;2.07,.19,;-.41,1.25,;-1.31,0,;-.83,-1.46,;.67,-1.82,;1.18,-3.27,;2.69,-3.61,;3.17,-5.07,;4.7,-5.28,;5.28,-6.71,;6.79,-7.03,;4.33,-7.93,;4.85,-9.38,;2.81,-7.72,;1.84,-8.91,;2.23,-6.29,;-2.78,.48,;-4.11,-.29,;-5.45,.48,;-5.45,2.02,;-6.79,2.78,;-4.11,2.79,;-4.07,4.33,;-5.31,5.23,;-6.73,4.64,;-4.84,6.7,;-3.3,6.7,;-2.41,7.96,;-2.82,5.23,;-1.35,4.77,;-2.78,2.02,;-1.31,2.49,;3.28,3,;4.24,1.8,;5.76,2.03,;6.32,3.46,;5.36,4.67,;5.61,6.19,;4.25,6.89,;4.02,8.42,;2.58,8.98,;5.22,9.38,;3.15,5.81,;1.63,6.06,;3.84,4.44,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnc(C)o2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,3.94,;-.82,2.4,;.71,2.56,;1.62,1.31,;3.15,1.48,;4.18,.34,;5.59,.96,;6.93,.21,;5.43,2.5,;6.46,3.64,;5.98,5.1,;4.47,5.42,;3.44,4.28,;3.92,2.82,;3.97,6.88,;2.51,7.36,;2.51,8.9,;3.97,9.37,;4.46,10.83,;4.88,8.13,;.99,-.1,;1.91,-1.33,;-.54,-.26,;-1.44,-1.5,;-.94,-2.96,;.56,-3.29,;1.07,-4.75,;2.57,-5.08,;3.04,-6.55,;4.57,-6.72,;5.19,-8.13,;6.69,-8.46,;4.27,-9.37,;4.76,-10.83,;2.74,-9.2,;1.79,-10.41,;2.12,-7.79,;-2.91,-1.03,;-4.24,-1.8,;-5.58,-1.03,;-5.58,.51,;-6.93,1.24,;-4.24,1.28,;-4.19,2.82,;-5.43,3.73,;-6.87,3.18,;-4.96,5.19,;-3.42,5.19,;-2.48,6.41,;-2.94,3.73,;-1.48,3.24,;-2.91,.51,;-1.44,.99,)|
CC[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1cccc(c1)C(O)=O |r,wU:2.1,(.22,7.57,;1.13,6.32,;.5,4.92,;-1.03,4.75,;-1.66,3.35,;-.75,2.1,;-1.66,.86,;-1.19,-.61,;.29,-1.04,;.66,-2.53,;2.14,-2.98,;2.55,-4.46,;1.51,-5.6,;1.98,-7.07,;.94,-8.2,;3.48,-7.4,;3.88,-8.88,;4.52,-6.26,;6.01,-6.64,;4.05,-4.79,;-3.12,1.33,;-4.46,.56,;-5.79,1.33,;-5.79,2.87,;-7.17,3.56,;-4.46,3.64,;-4.41,5.18,;-5.65,6.09,;-7.12,5.63,;-5.18,7.55,;-3.64,7.55,;-2.87,8.88,;-3.16,6.09,;-1.7,5.61,;-3.12,2.87,;.78,2.26,;1.68,1.02,;1.4,3.67,;2.94,3.83,;3.87,2.61,;5.4,2.81,;5.99,4.23,;5.05,5.45,;3.53,5.25,;5.64,6.88,;7.17,7.08,;4.7,8.1,)|
C[C@@H]1CN(c2nn(C)c3cccc(C(O)=O)c23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,6.17,;-.81,4.63,;.72,4.79,;1.63,3.54,;3.16,3.68,;4.19,2.53,;5.6,3.16,;6.93,2.39,;5.44,4.69,;6.47,5.84,;5.99,7.3,;4.48,7.62,;3.45,6.48,;1.97,6.87,;1.56,8.36,;.88,5.78,;3.93,5.01,;1,2.14,;1.93,.91,;-.53,1.98,;-1.44,.73,;-.95,-.73,;.55,-1.08,;1.05,-2.54,;2.56,-2.85,;3,-4.33,;4.52,-4.57,;5.07,-6.01,;6.57,-6.35,;4.1,-7.2,;4.55,-8.68,;2.58,-6.96,;1.6,-8.15,;2.03,-5.52,;-2.9,1.21,;-4.24,.44,;-5.57,1.21,;-5.57,2.75,;-6.93,3.47,;-4.24,3.52,;-4.19,5.05,;-5.44,5.96,;-6.91,5.5,;-4.96,7.42,;-3.42,7.42,;-2.53,8.68,;-2.95,5.96,;-1.48,5.49,;-2.9,2.75,;-1.44,3.22,)|
C[C@@H]1CN(c2cn(Cc3ccccn3)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.61,5.56,;-1.61,4.02,;-.07,4.18,;.83,2.94,;2.36,3.09,;3.39,1.95,;4.8,2.57,;6.13,1.8,;6.13,.26,;4.8,-.51,;4.8,-2.05,;6.13,-2.82,;7.47,-2.05,;7.47,-.51,;4.64,4.1,;5.67,5.25,;5.19,6.71,;3.69,7.03,;2.66,5.89,;3.13,4.42,;6.23,7.86,;7.73,7.54,;5.75,9.32,;.21,1.53,;1.14,.3,;-1.33,1.37,;-2.23,.12,;-1.73,-1.33,;-.23,-1.68,;.29,-3.13,;1.79,-3.48,;2.26,-4.95,;3.77,-5.24,;4.27,-6.7,;5.78,-7.03,;3.26,-7.86,;3.75,-9.32,;1.75,-7.57,;.79,-8.77,;1.25,-6.11,;-3.7,.6,;-5.03,-.17,;-6.36,.6,;-6.36,2.14,;-7.73,2.85,;-5.03,2.91,;-5.03,4.45,;-6.28,5.35,;-7.71,4.79,;-5.8,6.82,;-4.26,6.82,;-3.34,8.05,;-3.78,5.35,;-2.32,4.87,;-3.7,2.14,;-2.23,2.62,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc2n(C)cc(CC(O)=O)c2c1 |(-2.67,5.63,;-4.13,6.12,;-4.61,7.58,;-6.15,7.58,;-7.09,8.8,;-6.62,6.12,;-8.04,5.52,;-5.38,5.21,;-5.42,3.67,;-6.75,2.9,;-8.12,3.61,;-6.75,1.36,;-5.42,.59,;-4.09,1.36,;-2.62,.89,;-2.13,-.57,;-.66,-1.02,;-.24,-2.5,;1.24,-2.91,;1.62,-4.4,;3.12,-4.71,;3.61,-6.17,;5.1,-6.56,;2.59,-7.32,;3.04,-8.8,;1.08,-7.02,;.04,-8.15,;.59,-5.56,;-1.72,2.13,;-.18,2.06,;.44,.65,;.84,3.22,;.56,4.74,;-.8,5.47,;-2.21,4.86,;-2.62,3.38,;-4.09,2.9,;2.34,2.9,;3.33,4.08,;4.85,3.82,;5.37,2.37,;6.8,1.79,;8.12,2.58,;6.69,.25,;5.2,-.12,;4.62,-1.54,;5.39,-2.88,;6.93,-2.88,;4.63,-4.22,;4.38,1.19,;2.87,1.46,)|
C[C@@H]1CN(c2cc3ccc(cc3n2C)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.71,6.19,;-2.71,4.65,;-1.18,4.81,;-.28,3.56,;1.26,3.7,;2.29,2.56,;3.7,3.19,;5.1,2.56,;6.35,3.46,;6.19,5,;4.78,5.62,;3.53,4.72,;2.03,5.04,;1.36,6.42,;7.43,5.9,;8.84,5.28,;7.29,7.44,;-.9,2.16,;.02,.93,;-2.43,2,;-3.34,.75,;-2.87,-.72,;-1.37,-1.08,;-.93,-2.55,;.58,-2.87,;1.05,-4.34,;2.56,-4.64,;3.06,-6.1,;4.57,-6.41,;2.05,-7.25,;2.56,-8.71,;.53,-6.96,;-.43,-8.15,;.04,-5.5,;-4.8,1.23,;-6.14,.46,;-7.47,1.23,;-7.47,2.77,;-8.84,3.47,;-6.14,3.54,;-6.14,5.08,;-7.38,5.98,;-8.81,5.41,;-6.91,7.45,;-5.37,7.45,;-4.48,8.71,;-4.89,5.98,;-3.43,5.48,;-4.8,2.77,;-3.34,3.24,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C)cc2c(C)c(C(O)=O)n(C)c12 |r,wD:1.0,(-.82,5.52,;-.82,3.98,;.72,4.14,;1.62,2.9,;1,1.49,;1.9,.25,;-.54,1.33,;-1.44,.08,;-.97,-1.38,;.52,-1.77,;.99,-3.23,;2.49,-3.58,;2.96,-5.05,;4.48,-5.31,;5.01,-6.76,;6.51,-7.1,;4.03,-7.94,;4.53,-9.4,;2.51,-7.68,;1.55,-8.88,;1.98,-6.23,;-2.91,.56,;-4.24,-.21,;-5.57,.56,;-5.57,2.1,;-6.94,2.81,;-4.24,2.87,;-4.24,4.41,;-5.57,5.18,;-6.91,4.41,;-5.57,6.72,;-4.24,7.49,;-2.91,6.72,;-2.91,5.18,;-1.57,4.41,;-2.91,2.1,;-1.44,2.58,;3.15,3.06,;4.09,1.84,;5.62,2.04,;6.55,.82,;6.21,3.46,;5.27,4.68,;5.55,6.2,;6.94,6.86,;4.2,6.93,;4,8.46,;5.22,9.4,;2.57,9.05,;3.08,5.87,;1.57,6.15,;3.74,4.48,)|
CC[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1ccc(cc1)C(O)=O |r,wU:2.1,(-.42,7.57,;.48,6.32,;-.14,4.92,;-1.68,4.75,;-2.3,3.35,;-1.4,2.1,;-2.3,.86,;-1.83,-.61,;-.35,-1.04,;.02,-2.53,;1.5,-2.98,;1.91,-4.46,;.87,-5.6,;1.33,-7.07,;.29,-8.2,;2.84,-7.4,;3.23,-8.88,;3.88,-6.26,;5.37,-6.64,;3.41,-4.79,;-3.77,1.33,;-5.1,.56,;-6.43,1.33,;-6.43,2.87,;-7.81,3.56,;-5.1,3.64,;-5.05,5.18,;-6.3,6.09,;-7.77,5.63,;-5.82,7.55,;-4.28,7.55,;-3.51,8.88,;-3.8,6.09,;-2.34,5.61,;-3.77,2.87,;.14,2.26,;1.04,1.02,;.76,3.67,;2.29,3.83,;3.23,2.61,;4.76,2.81,;5.35,4.23,;4.41,5.45,;2.88,5.25,;6.87,4.43,;7.46,5.85,;7.81,3.21,)|
COCCn1cc(C(O)=O)c2c(cccc12)N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |r,wD:18.20,(8.93,6.23,;7.68,7.13,;6.28,6.5,;5.03,7.4,;3.62,6.77,;2.28,7.53,;1.14,6.49,;-.36,6.8,;-.85,8.27,;-1.39,5.65,;1.78,5.09,;1.16,3.68,;2.07,2.44,;3.6,2.61,;4.22,4.02,;3.31,5.26,;-.37,3.54,;-1.28,4.79,;-2.81,4.63,;-2.86,6.17,;-3.44,3.22,;-2.53,1.98,;-3.44,.73,;-2.95,-.73,;-1.45,-1.08,;-.95,-2.54,;.56,-2.85,;1,-4.33,;2.52,-4.57,;3.07,-6.01,;4.57,-6.35,;2.1,-7.2,;2.55,-8.68,;.58,-6.96,;-.4,-8.15,;.03,-5.52,;-4.9,1.21,;-6.24,.44,;-7.57,1.21,;-7.57,2.75,;-8.93,3.47,;-6.24,3.52,;-6.19,5.05,;-7.44,5.96,;-8.91,5.5,;-6.96,7.42,;-5.42,7.42,;-4.53,8.68,;-4.95,5.96,;-3.48,5.49,;-4.9,2.75,;-1,2.14,;-.07,.91,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(ccc12)C(O)=O |r,wD:1.0,(-.93,5.25,;-.93,3.71,;.6,3.87,;1.51,2.62,;.88,1.22,;1.81,-.01,;-.65,1.06,;-1.55,-.19,;-1.08,-1.65,;.42,-2.02,;.86,-3.49,;2.37,-3.81,;2.84,-5.28,;4.35,-5.58,;4.85,-7.03,;6.35,-7.35,;3.83,-8.19,;4.35,-9.64,;2.32,-7.89,;1.35,-9.09,;1.82,-6.44,;-3.02,.29,;-4.35,-.48,;-5.68,.29,;-5.68,1.83,;-7.05,2.53,;-4.35,2.6,;-4.35,4.14,;-5.6,5.04,;-7.03,4.47,;-5.12,6.51,;-3.58,6.51,;-2.69,7.77,;-3.11,5.04,;-1.65,4.54,;-3.02,1.83,;-1.55,2.3,;3.04,2.76,;3.96,1.52,;5.49,1.69,;6.11,3.1,;5.19,4.34,;5.81,5.75,;4.9,6.99,;3.37,6.83,;2.75,5.42,;3.66,4.17,;5.52,8.4,;4.61,9.64,;7.05,8.57,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCc2ccccc2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.02,5.5,;-2.02,3.96,;-.49,4.12,;.41,2.87,;-.21,1.47,;.7,.22,;-1.74,1.3,;-2.65,.06,;-2.19,-1.41,;-.69,-1.74,;-.19,-3.2,;1.31,-3.56,;1.81,-5.01,;3.33,-5.28,;3.86,-6.72,;5.38,-7.01,;2.88,-7.9,;3.35,-9.37,;1.36,-7.64,;.34,-8.8,;.83,-6.2,;-4.11,.53,;-5.45,-.24,;-6.78,.53,;-6.78,2.07,;-8.16,2.76,;-5.45,2.84,;-5.4,4.38,;-6.64,5.29,;-8.1,4.77,;-6.17,6.75,;-4.63,6.75,;-3.75,8.02,;-4.15,5.29,;-2.69,4.82,;-4.11,2.07,;-2.65,2.55,;1.95,3.03,;2.88,1.81,;4.41,2.01,;5.35,.79,;4.76,-.63,;5.69,-1.85,;5.1,-3.28,;6.04,-4.5,;7.57,-4.3,;8.16,-2.88,;7.22,-1.65,;5,3.43,;4.06,4.66,;4.34,6.17,;2.99,6.91,;2.79,8.43,;4.01,9.37,;1.37,9.02,;1.87,5.85,;.36,6.13,;2.54,4.46,)|
CC[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1cc(C(O)=O)c2ccn(C)c2c1 |r,wU:2.1,(-.12,7.46,;.78,6.21,;.14,4.8,;-1.39,4.64,;-2.02,3.24,;-1.11,1.99,;-2.02,.74,;-1.52,-.71,;-.02,-1.06,;.43,-2.53,;1.93,-2.87,;2.43,-4.33,;1.42,-5.49,;1.92,-6.95,;.94,-8.14,;3.43,-7.24,;3.91,-8.71,;4.44,-6.08,;5.95,-6.38,;3.94,-4.62,;-3.48,1.22,;-4.82,.45,;-6.15,1.22,;-6.15,2.76,;-7.51,3.48,;-4.82,3.53,;-4.82,5.07,;-6.06,5.97,;-7.52,5.49,;-5.59,7.44,;-4.05,7.44,;-3.17,8.71,;-3.57,5.97,;-2.1,5.51,;-3.48,2.76,;.42,2.15,;1.3,.89,;1.04,3.56,;2.58,3.72,;3.17,5.14,;4.69,5.34,;5.28,6.76,;6.81,6.96,;4.35,7.99,;5.63,4.12,;7.17,4,;7.52,2.5,;6.21,1.7,;6.09,.16,;5.04,2.7,;3.51,2.5,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnco2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,4.71,;-.8,3.17,;.73,3.34,;1.63,2.09,;3.17,2.24,;4.2,1.1,;5.6,1.72,;6.93,.94,;5.44,3.26,;6.47,4.4,;6,5.87,;4.49,6.19,;3.46,5.04,;3.94,3.58,;3.96,7.63,;2.49,8.11,;2.49,9.65,;3.96,10.12,;4.86,8.88,;1.01,.68,;1.94,-.54,;-.52,.52,;-1.43,-.72,;-.93,-2.18,;.57,-2.53,;1.07,-3.99,;2.58,-4.3,;3.1,-5.75,;4.61,-6.04,;5.11,-7.5,;6.62,-7.84,;4.1,-8.66,;4.59,-10.12,;2.59,-8.37,;1.63,-9.57,;2.09,-6.91,;-2.89,-.25,;-4.23,-1.02,;-5.56,-.25,;-5.56,1.29,;-6.93,2,;-4.23,2.06,;-4.23,3.6,;-5.47,4.51,;-6.91,3.94,;-5,5.97,;-3.46,5.97,;-2.56,7.22,;-2.98,4.51,;-1.54,3.98,;-2.89,1.29,;-1.43,1.77,)|
CN(C)CCn1ncc2c(cc(cc12)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |(3.84,9.11,;5.17,8.34,;6.51,9.1,;5.17,6.8,;6.5,6.03,;6.5,4.49,;7.74,3.57,;7.34,2.06,;5.76,2.06,;4.76,.89,;3.25,1.17,;2.73,2.62,;3.73,3.79,;5.24,3.51,;1.23,2.95,;.95,4.46,;-.41,5.19,;-1.82,4.59,;-2.23,3.1,;-1.33,1.86,;-2.23,.61,;-1.72,-.84,;-.25,-1.3,;.14,-2.79,;1.62,-3.21,;2.05,-4.69,;1.01,-5.82,;1.47,-7.29,;.45,-8.44,;2.97,-7.63,;3.39,-9.11,;4.01,-6.49,;5.5,-6.9,;3.55,-5.02,;-3.7,1.09,;-5.03,.32,;-6.36,1.09,;-6.36,2.63,;-7.74,3.31,;-5.03,3.4,;-5.03,4.94,;-3.78,5.84,;-2.33,5.34,;-4.26,7.31,;-5.8,7.31,;-6.65,8.59,;-6.28,5.84,;-7.71,5.29,;-3.7,2.63,;.21,1.79,;.81,.37,;5.23,-.58,;4.2,-1.72,;6.74,-.9,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ccccc2c1 |r,wD:1.0,(-1.53,6.19,;-1.53,4.65,;0,4.81,;.91,3.56,;.28,2.16,;1.21,.93,;-1.25,2,;-2.15,.75,;-1.68,-.72,;-.18,-1.08,;.26,-2.55,;1.76,-2.87,;2.24,-4.34,;3.75,-4.64,;4.24,-6.1,;5.75,-6.41,;3.23,-7.25,;3.75,-8.71,;1.72,-6.96,;.75,-8.15,;1.22,-5.5,;-3.62,1.23,;-4.95,.46,;-6.29,1.23,;-6.29,2.77,;-7.65,3.47,;-4.95,3.54,;-4.95,5.08,;-6.2,5.98,;-7.63,5.41,;-5.72,7.45,;-4.18,7.45,;-3.3,8.71,;-3.71,5.98,;-2.25,5.48,;-3.62,2.77,;-2.15,3.24,;2.44,3.7,;3.35,2.46,;4.88,2.63,;5.8,1.39,;7.33,1.56,;5.18,-.02,;5.5,4.04,;7.03,4.21,;7.65,5.62,;6.74,6.86,;5.21,6.69,;4.59,5.28,;3.06,5.11,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(C)c(cc12)-c1nnco1 |r,wD:1.0,(-.87,4.72,;-.82,3.19,;.72,3.35,;1.62,2.1,;1,.69,;1.93,-.53,;-.54,.53,;-1.44,-.71,;-.94,-2.17,;.56,-2.52,;1.06,-3.98,;2.57,-4.29,;3.09,-5.74,;4.6,-6.03,;5.1,-7.49,;6.6,-7.83,;4.09,-8.65,;4.58,-10.11,;2.58,-8.36,;1.62,-9.56,;2.08,-6.9,;-2.91,-.24,;-4.24,-1.01,;-5.57,-.24,;-5.57,1.3,;-6.94,2.01,;-4.24,2.07,;-4.24,3.61,;-5.49,4.52,;-6.92,3.95,;-5.01,5.98,;-3.47,5.98,;-2.57,7.23,;-2.99,4.52,;-1.55,3.99,;-2.91,1.3,;-1.44,1.78,;3.15,2.26,;4.09,1.04,;5.62,1.24,;6.21,2.66,;5.27,3.88,;5.55,5.4,;6.94,6.06,;4.2,6.13,;3.08,5.07,;3.74,3.68,;4,7.66,;2.64,8.4,;2.93,9.91,;4.45,10.11,;5.11,8.72,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ccn(CCN3CCOCC3)c2c1 |(-2.27,4.14,;-3.73,4.64,;-4.2,6.1,;-5.74,6.1,;-6.66,7.34,;-6.22,4.64,;-7.68,4.15,;-4.97,3.73,;-5.02,2.19,;-6.36,1.42,;-7.74,2.11,;-6.36,-.12,;-5.02,-.89,;-3.69,-.12,;-2.23,-.59,;-1.69,-2.04,;-.21,-2.46,;.16,-3.95,;1.66,-4.32,;1.99,-5.82,;.99,-6.98,;1.49,-8.44,;.4,-9.53,;3.01,-8.73,;3.43,-10.21,;4.01,-7.56,;5.5,-7.97,;3.51,-6.11,;-1.32,.65,;.22,.58,;.86,-.81,;1.23,1.74,;.96,3.26,;-.4,3.99,;-1.82,3.38,;-2.23,1.9,;-3.69,1.42,;2.74,1.42,;3.26,-.03,;4.78,-.3,;5.2,-1.78,;4.14,-2.89,;6.69,-2.15,;5.77,.88,;7.31,.93,;7.74,2.41,;6.46,3.27,;6.46,4.81,;5.13,5.59,;5.13,7.13,;3.8,7.9,;3.8,9.44,;5.13,10.21,;6.46,9.44,;6.46,7.9,;5.25,2.33,;3.73,2.6,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(C(O)=O)c2ccccc12 |r,wD:1.0,(-1.69,6.21,;-1.69,4.67,;-.16,4.83,;.74,3.58,;.12,2.17,;1.02,.93,;-1.42,2.01,;-2.32,.77,;-1.85,-.7,;-.35,-1.05,;.12,-2.52,;1.62,-2.87,;2.08,-4.34,;3.6,-4.61,;4.12,-6.06,;5.63,-6.37,;3.12,-7.24,;3.62,-8.69,;1.61,-6.96,;.66,-8.18,;1.09,-5.52,;-3.79,1.24,;-5.12,.47,;-6.45,1.24,;-6.45,2.78,;-7.79,3.54,;-5.12,3.55,;-5.07,5.09,;-6.32,6,;-7.76,5.44,;-5.84,7.46,;-4.3,7.46,;-3.38,8.69,;-3.83,6,;-2.37,5.51,;-3.79,2.78,;-2.32,3.26,;2.28,3.71,;3.16,2.45,;4.7,2.59,;5.34,3.99,;6.87,4.17,;7.48,5.59,;7.79,2.94,;4.46,5.25,;5.1,6.65,;4.22,7.91,;2.68,7.77,;2.04,6.37,;2.92,5.11,)|
C[C@@H]1CN(c2cn(C)c3cc(F)c(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.91,5.37,;-.85,3.83,;.68,3.99,;1.58,2.74,;3.12,2.9,;4.15,1.75,;5.55,2.38,;6.88,1.59,;5.39,3.91,;6.42,5.05,;5.95,6.52,;6.98,7.66,;4.44,6.84,;3.41,5.69,;3.89,4.23,;3.91,8.28,;2.39,8.54,;4.89,9.47,;.96,1.34,;1.89,.11,;-.57,1.18,;-1.48,-.07,;-.98,-1.53,;.52,-1.88,;1.03,-3.33,;2.53,-3.64,;3.05,-5.09,;4.56,-5.39,;5.06,-6.85,;6.57,-7.18,;4.05,-8.01,;4.54,-9.47,;2.54,-7.71,;1.58,-8.92,;2.04,-6.26,;-2.94,.41,;-4.28,-.36,;-5.61,.41,;-5.61,1.95,;-6.98,2.65,;-4.28,2.72,;-4.28,4.26,;-5.52,5.16,;-6.96,4.6,;-5.05,6.62,;-3.51,6.62,;-2.61,7.87,;-3.03,5.16,;-1.58,4.63,;-2.94,1.95,;-1.48,2.42,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1c(ccc2ccccc12)C(O)=O |r,wD:1.0,(-.61,6.21,;-.61,4.67,;.92,4.83,;1.83,3.58,;1.2,2.17,;1.2,.63,;-.33,2.01,;-1.24,.77,;-.76,-.7,;.74,-1.05,;1.21,-2.52,;2.71,-2.87,;3.17,-4.34,;4.68,-4.61,;5.2,-6.06,;6.71,-6.37,;4.21,-7.24,;4.71,-8.69,;2.69,-6.96,;1.74,-8.18,;2.17,-5.52,;-2.7,1.24,;-4.03,.47,;-5.37,1.24,;-5.37,2.78,;-6.71,3.54,;-4.03,3.55,;-3.99,5.09,;-5.24,6,;-6.67,5.44,;-4.76,7.46,;-3.22,7.46,;-2.3,8.69,;-2.75,6,;-1.28,5.51,;-2.7,2.78,;-1.24,3.26,;3.36,3.71,;4.25,2.45,;5.78,2.59,;6.43,3.99,;5.54,5.25,;6.19,6.65,;5.3,7.91,;3.77,7.77,;3.12,6.37,;4.01,5.11,;3.6,1.06,;4.49,-.2,;2.07,.92,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2ccc(cc12)C(O)=O |r,wD:1.0,(-.7,5.29,;-.65,3.75,;.89,3.91,;1.79,2.67,;1.16,1.26,;2.1,.04,;-.37,1.1,;-1.27,-.14,;-.77,-1.6,;.73,-1.95,;1.23,-3.41,;2.74,-3.72,;3.26,-5.17,;4.77,-5.46,;5.27,-6.92,;6.77,-7.26,;4.26,-8.08,;4.75,-9.54,;2.75,-7.79,;1.79,-8.99,;2.25,-6.33,;-2.74,.33,;-4.07,-.44,;-5.4,.33,;-5.4,1.87,;-6.77,2.58,;-4.07,2.64,;-4.07,4.18,;-5.32,5.09,;-6.75,4.52,;-4.84,6.55,;-3.3,6.55,;-2.4,7.8,;-2.82,5.09,;-1.38,4.56,;-2.74,1.87,;-1.27,2.35,;3.32,2.83,;4.26,1.61,;5.79,1.81,;6.38,3.23,;5.44,4.45,;6.03,5.88,;5.09,7.1,;3.56,6.9,;2.97,5.47,;3.91,4.25,;2.63,8.12,;1.1,7.92,;3.22,9.54,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2OCOc12)C(O)=O |r,wD:1.0,(55.68,-4.87,;56.59,-6.12,;58.12,-5.96,;59.03,-7.21,;58.4,-8.61,;59.3,-9.86,;56.88,-8.77,;55.97,-10.02,;55.95,-11.56,;57.28,-12.34,;57.27,-13.88,;58.59,-14.66,;58.58,-16.2,;59.9,-16.98,;59.89,-18.51,;61.23,-19.29,;58.54,-19.28,;58.53,-20.82,;57.22,-18.49,;55.88,-19.25,;57.23,-16.96,;54.5,-9.55,;53.17,-10.33,;51.84,-9.56,;51.84,-8.01,;50.5,-7.24,;53.17,-7.24,;53.16,-4.34,;51.91,-3.44,;50.44,-3.92,;52.38,-1.98,;53.92,-1.97,;54.82,-.72,;54.4,-3.44,;55.87,-3.91,;54.5,-8,;55.97,-7.53,;60.57,-7.2,;61.32,-5.87,;62.85,-5.86,;63.64,-7.2,;62.88,-8.52,;63.36,-9.97,;62.13,-10.88,;60.88,-9.99,;61.34,-8.53,;63.62,-4.52,;62.84,-3.2,;65.16,-4.51,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cccc(C(O)=O)c12 |r,wD:1.0,(-.61,6.21,;-.61,4.67,;.92,4.83,;1.83,3.58,;1.2,2.17,;2.11,.93,;-.33,2.01,;-1.24,.77,;-.76,-.7,;.74,-1.05,;1.21,-2.52,;2.71,-2.87,;3.17,-4.34,;4.68,-4.61,;5.2,-6.06,;6.71,-6.37,;4.21,-7.24,;4.71,-8.69,;2.69,-6.96,;1.74,-8.18,;2.17,-5.52,;-2.7,1.24,;-4.03,.47,;-5.37,1.24,;-5.37,2.78,;-6.71,3.54,;-4.03,3.55,;-3.99,5.09,;-5.24,6,;-6.67,5.44,;-4.76,7.46,;-3.22,7.46,;-2.3,8.69,;-2.75,6,;-1.28,5.51,;-2.7,2.78,;-1.24,3.26,;3.36,3.71,;4.25,2.45,;5.78,2.59,;6.43,3.99,;5.54,5.25,;6.19,6.65,;5.3,7.91,;3.77,7.77,;3.12,6.37,;1.63,6.77,;1.23,8.25,;.54,5.68,;4.01,5.11,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,4.58,;-.82,3.04,;.72,3.2,;1.62,1.95,;3.15,2.12,;4.18,.98,;5.59,1.61,;6.92,.83,;5.43,3.14,;6.46,4.28,;5.98,5.75,;4.48,6.07,;3.44,4.92,;3.92,3.46,;3.95,7.52,;4.86,8.76,;3.95,10.01,;2.49,9.53,;1.16,10.3,;2.49,7.99,;.99,.55,;1.91,-.69,;-.54,.39,;-1.44,-.86,;-.94,-2.31,;.56,-2.65,;1.03,-4.12,;2.52,-4.5,;3.07,-5.94,;4.58,-6.22,;5.1,-7.67,;6.6,-8.04,;4.11,-8.84,;4.6,-10.3,;2.59,-8.57,;1.62,-9.76,;2.07,-7.12,;-2.91,-.38,;-4.24,-1.15,;-5.57,-.38,;-5.57,1.16,;-6.92,1.91,;-4.24,1.93,;-4.24,3.47,;-5.49,4.37,;-6.92,3.8,;-5.01,5.84,;-3.47,5.84,;-2.59,7.1,;-3,4.37,;-1.52,3.93,;-2.91,1.16,;-1.44,1.63,)|
CN(C)C(=O)N1CCN(CC1)c1cc(cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)n1)C(O)=O |(8.44,.86,;9.47,2.01,;10.97,1.7,;8.98,3.47,;10.01,4.62,;7.47,3.79,;6.98,5.24,;5.47,5.55,;4.45,4.39,;4.95,2.93,;6.46,2.63,;2.96,4.75,;2.42,6.19,;.9,6.45,;-.08,5.26,;.46,3.82,;-.52,2.63,;-2.03,2.94,;-2.26,4.47,;-3.6,5.24,;-5.03,4.67,;-5.48,3.2,;-4.62,1.93,;-5.56,.71,;-5.07,-.75,;-3.59,-1.16,;-3.21,-2.65,;-1.73,-3.06,;-1.35,-4.56,;.11,-5.04,;.42,-6.55,;1.91,-6.94,;-.73,-7.57,;-.37,-9.07,;-2.19,-7.09,;-3.2,-8.25,;-2.5,-5.58,;-7.01,1.23,;-8.36,.5,;-9.67,1.31,;-9.63,2.85,;-10.97,3.6,;-8.27,3.58,;-8.22,5.12,;-6.97,6.02,;-5.52,5.52,;-7.45,7.49,;-8.99,7.49,;-9.84,8.77,;-9.47,6.02,;-10.91,5.49,;-6.96,2.77,;-3.08,1.82,;-2.41,.43,;1.98,3.56,;.4,7.91,;-1.12,8.2,;1.4,9.07,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc12)C(O)=O |r,wD:8.8,(7.64,4.95,;7.03,3.54,;5.5,3.36,;4.85,1.96,;3.32,1.82,;2.43,3.08,;.9,2.95,;-.01,4.19,;-1.54,4.03,;-1.54,5.57,;-2.16,2.63,;-1.26,1.38,;-2.16,.13,;-1.69,-1.33,;-.19,-1.68,;.28,-3.15,;1.78,-3.5,;2.24,-4.97,;3.75,-5.25,;4.27,-6.7,;5.78,-7.01,;3.28,-7.87,;3.78,-9.33,;1.76,-7.6,;.81,-8.81,;1.24,-6.15,;-3.63,.61,;-4.96,-.16,;-6.3,.61,;-6.3,2.15,;-7.64,2.9,;-4.96,2.92,;-4.92,4.46,;-6.16,5.36,;-7.6,4.81,;-5.69,6.83,;-4.15,6.83,;-3.22,8.06,;-3.67,5.36,;-2.21,4.88,;-3.63,2.15,;.27,1.54,;1.18,.29,;3.08,4.48,;2.47,5.89,;.97,6.23,;3.63,6.91,;4.95,6.12,;4.61,4.62,;3.49,8.44,;2.09,9.09,;4.75,9.33,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(C(O)=O)c(C)c12 |r,wD:8.8,(7.83,2.43,;6.85,3.62,;5.32,3.42,;4.73,2,;3.2,1.8,;2.26,3.02,;.73,2.86,;-.17,4.1,;-1.7,3.94,;-1.76,5.48,;-2.33,2.53,;-1.42,1.29,;-2.33,.04,;-1.83,-1.41,;-.33,-1.76,;.17,-3.22,;1.68,-3.53,;2.2,-4.98,;3.71,-5.28,;4.21,-6.73,;5.71,-7.07,;3.2,-7.89,;3.69,-9.35,;1.69,-7.6,;.73,-8.8,;1.19,-6.14,;-3.79,.52,;-5.13,-.25,;-6.46,.52,;-6.46,2.06,;-7.83,2.77,;-5.13,2.83,;-5.13,4.37,;-6.37,5.27,;-7.81,4.71,;-5.9,6.74,;-4.36,6.74,;-3.46,7.99,;-3.88,5.27,;-2.44,4.74,;-3.79,2.06,;.11,1.45,;1.04,.22,;2.85,4.44,;2.19,5.83,;.68,6.11,;3.31,6.89,;3.11,8.42,;4.33,9.35,;1.69,9.01,;4.66,6.15,;6.05,6.82,;4.38,4.64,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(C(O)=O)c(Cl)c1 |r,wD:1.0,(-1.66,6.29,;-1.66,4.75,;-.13,4.91,;.77,3.66,;.15,2.25,;1.05,1.01,;-1.39,2.09,;-2.29,.85,;-1.89,-.64,;-.4,-1.04,;-.01,-2.53,;1.48,-2.93,;1.88,-4.41,;.79,-5.5,;1.19,-6.99,;.1,-8.08,;2.68,-7.39,;3.08,-8.88,;3.77,-6.3,;5.25,-6.7,;3.37,-4.81,;-3.75,1.32,;-5.09,.55,;-6.42,1.32,;-6.42,2.86,;-7.76,3.63,;-5.09,3.63,;-5.09,5.17,;-6.33,6.08,;-7.82,5.68,;-5.86,7.54,;-4.32,7.54,;-3.55,8.88,;-3.84,6.08,;-2.36,5.68,;-3.75,2.86,;-2.29,3.34,;2.3,3.82,;2.89,5.24,;4.42,5.44,;5.36,4.22,;6.89,4.42,;7.82,3.2,;7.47,5.85,;4.77,2.8,;5.71,1.58,;3.24,2.6,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(F)(F)F)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,5.26,;-.82,3.72,;.71,3.88,;1.62,2.64,;3.15,2.77,;4.18,1.62,;5.59,2.25,;6.92,1.47,;5.43,3.78,;6.46,4.92,;5.99,6.39,;4.48,6.71,;3.45,5.57,;3.92,4.1,;4.01,8.17,;3.53,9.64,;5.47,8.65,;2.54,7.7,;.99,1.23,;1.89,-.02,;-.54,1.07,;-1.45,-.18,;-.97,-1.64,;.53,-2,;1,-3.46,;2.5,-3.81,;2.96,-5.28,;4.47,-5.56,;4.99,-7.01,;6.5,-7.32,;4,-8.18,;4.5,-9.64,;2.48,-7.91,;1.53,-9.12,;1.96,-6.46,;-2.91,.3,;-4.24,-.47,;-5.58,.3,;-5.58,1.84,;-6.92,2.59,;-4.24,2.61,;-4.2,4.15,;-5.45,5.05,;-6.88,4.5,;-4.97,6.52,;-3.43,6.52,;-2.51,7.75,;-2.95,5.05,;-1.49,4.57,;-2.91,1.84,;-1.45,2.31,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(Cc3ccccn3)c(cc12)C(O)=O |r,wD:1.0,(-2.83,5.48,;-2.78,3.94,;-1.25,4.1,;-.34,2.86,;-.97,1.45,;-.04,.22,;-2.5,1.29,;-3.41,.04,;-2.9,-1.41,;-1.4,-1.76,;-.9,-3.22,;.61,-3.53,;1.12,-4.98,;2.64,-5.28,;3.14,-6.73,;4.64,-7.07,;2.13,-7.89,;2.61,-9.35,;.62,-7.6,;-.35,-8.8,;.11,-6.14,;-4.87,.52,;-6.2,-.25,;-7.54,.52,;-7.54,2.06,;-8.91,2.77,;-6.2,2.83,;-6.2,4.37,;-7.45,5.27,;-8.88,4.71,;-6.97,6.74,;-5.43,6.74,;-4.53,7.99,;-4.96,5.27,;-3.51,4.74,;-4.87,2.06,;-3.41,2.53,;1.19,3.02,;2.13,1.8,;3.65,2,;4.24,3.42,;3.31,4.64,;3.59,6.15,;4.98,6.82,;6.25,5.94,;6.12,4.41,;7.39,3.54,;8.78,4.2,;8.91,5.73,;7.64,6.61,;2.23,6.89,;1.12,5.83,;1.78,4.44,;2.03,8.42,;.61,9.01,;3.26,9.35,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(oc12)C(O)=O |r,wD:1.0,(-.61,5.57,;-.61,4.03,;.92,4.19,;1.83,2.95,;1.2,1.54,;2.1,.29,;-.33,1.38,;-1.24,.13,;-.76,-1.33,;.74,-1.68,;1.21,-3.15,;2.71,-3.5,;3.17,-4.97,;4.68,-5.25,;5.2,-6.7,;6.71,-7.01,;4.21,-7.87,;4.71,-9.33,;2.69,-7.6,;1.74,-8.81,;2.17,-6.15,;-2.7,.61,;-4.03,-.16,;-5.37,.61,;-5.37,2.15,;-6.71,2.9,;-4.03,2.92,;-3.99,4.46,;-5.24,5.36,;-6.67,4.81,;-4.76,6.83,;-3.22,6.83,;-2.3,8.06,;-2.75,5.36,;-1.28,4.88,;-2.7,2.15,;-1.24,2.63,;3.36,3.08,;4.25,1.82,;5.78,1.96,;6.43,3.36,;5.54,4.62,;5.88,6.12,;4.56,6.91,;3.4,5.89,;4.01,4.48,;4.42,8.44,;3.02,9.09,;5.68,9.33,)|
COCCn1c(cc2c(cccc12)N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |r,wD:15.17,(8.15,3.54,;6.88,4.41,;7,5.94,;5.73,6.82,;4.34,6.15,;2.99,6.89,;1.87,5.83,;2.53,4.44,;1.95,3.02,;2.88,1.8,;4.41,2,;5,3.42,;4.06,4.64,;.41,2.86,;-.49,4.1,;-2.02,3.94,;-2.02,5.48,;-2.65,2.53,;-1.74,1.29,;-2.65,.04,;-2.15,-1.41,;-.65,-1.76,;-.15,-3.22,;1.36,-3.53,;1.88,-4.98,;3.39,-5.28,;3.89,-6.73,;5.4,-7.07,;2.88,-7.89,;3.37,-9.35,;1.37,-7.6,;.41,-8.8,;.87,-6.14,;-4.11,.52,;-5.45,-.25,;-6.78,.52,;-6.78,2.06,;-8.15,2.77,;-5.45,2.83,;-5.45,4.37,;-6.69,5.27,;-8.13,4.71,;-6.22,6.74,;-4.68,6.74,;-3.78,7.99,;-4.2,5.27,;-2.76,4.74,;-4.11,2.06,;-.21,1.45,;.72,.22,;2.79,8.42,;1.37,9.01,;4.01,9.35,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2CCC(=O)c12 |r,wD:1.0,(-.61,6.21,;-.61,4.67,;.92,4.83,;1.83,3.58,;1.2,2.17,;2.1,.93,;-.33,2.01,;-1.24,.77,;-.76,-.7,;.74,-1.05,;1.21,-2.52,;2.71,-2.87,;3.17,-4.34,;4.68,-4.61,;5.2,-6.06,;6.71,-6.37,;4.21,-7.24,;4.71,-8.69,;2.69,-6.96,;1.74,-8.18,;2.17,-5.52,;-2.7,1.24,;-4.03,.47,;-5.37,1.24,;-5.37,2.78,;-6.71,3.54,;-4.03,3.55,;-3.99,5.09,;-5.24,6,;-6.67,5.44,;-4.76,7.46,;-3.22,7.46,;-2.3,8.69,;-2.75,6,;-1.28,5.51,;-2.7,2.78,;-1.24,3.26,;3.36,3.71,;4.25,2.45,;5.78,2.59,;6.43,3.99,;5.54,5.25,;5.88,6.75,;4.56,7.54,;3.4,6.53,;1.9,6.87,;4.01,5.11,)|
COCCn1c(cc2cccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(N)=O |r,wD:14.14,(-.81,9.3,;-.29,7.84,;1.22,7.56,;1.74,6.11,;3.25,5.83,;4.37,6.89,;5.72,6.15,;5.44,4.64,;6.38,3.42,;5.79,2,;4.26,1.8,;3.32,3.02,;1.79,2.86,;.89,4.1,;-.65,3.94,;-.65,5.48,;-1.27,2.53,;-.37,1.29,;-1.27,.04,;-.77,-1.41,;.73,-1.76,;1.23,-3.22,;2.74,-3.53,;3.26,-4.98,;4.77,-5.28,;5.27,-6.73,;6.77,-7.07,;4.26,-7.89,;4.75,-9.35,;2.75,-7.6,;1.79,-8.8,;2.25,-6.14,;-2.74,.52,;-4.07,-.25,;-5.4,.52,;-5.4,2.06,;-6.77,2.77,;-4.07,2.83,;-4.07,4.37,;-5.32,5.27,;-6.75,4.71,;-4.84,6.74,;-3.3,6.74,;-2.4,7.99,;-2.82,5.27,;-1.38,4.74,;-2.74,2.06,;1.16,1.45,;2.1,.22,;3.91,4.44,;4.17,8.42,;2.74,9.01,;5.39,9.35,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2oc(cc2c1)C(O)=O |r,wD:1.0,(-2.53,6.21,;-2.53,4.67,;-.99,4.83,;-.09,3.58,;-.72,2.17,;.19,.93,;-2.25,2.01,;-3.15,.77,;-2.68,-.7,;-1.18,-1.05,;-.71,-2.52,;.79,-2.87,;1.25,-4.34,;2.77,-4.61,;3.29,-6.06,;4.8,-6.37,;2.29,-7.24,;2.79,-8.69,;.78,-6.96,;-.17,-8.18,;.26,-5.52,;-4.62,1.24,;-5.95,.47,;-7.28,1.24,;-7.28,2.78,;-8.63,3.54,;-5.95,3.55,;-5.91,5.09,;-7.15,6,;-8.59,5.44,;-6.68,7.46,;-5.14,7.46,;-4.21,8.69,;-4.66,6,;-3.2,5.51,;-4.62,2.78,;-3.15,3.26,;1.44,3.71,;2.35,2.47,;3.88,2.62,;4.51,4.03,;5.97,4.5,;5.97,6.04,;4.51,6.52,;3.61,5.28,;2.07,5.12,;7.22,6.95,;7.06,8.48,;8.63,6.32,)|
C[C@@H]1CN(c2cn(C)c3cc(F)c(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,5.52,;-.86,3.98,;.68,4.14,;1.58,2.89,;3.11,3.09,;4.14,1.94,;5.55,2.57,;6.91,1.86,;5.39,4.1,;6.42,5.24,;5.94,6.71,;6.98,7.84,;4.43,7.03,;3.4,5.88,;3.88,4.42,;3.95,8.49,;2.44,8.8,;4.97,9.64,;.95,1.49,;1.84,.23,;-.58,1.33,;-1.48,.08,;-1.08,-1.41,;.4,-1.81,;.8,-3.29,;2.29,-3.69,;2.69,-5.18,;4.18,-5.58,;4.57,-7.06,;6.06,-7.46,;3.49,-8.15,;3.88,-9.64,;2,-7.76,;.91,-8.84,;1.6,-6.27,;-2.95,.56,;-4.28,-.21,;-5.61,.56,;-5.61,2.1,;-6.98,2.8,;-4.28,2.87,;-4.24,4.41,;-5.48,5.31,;-6.91,4.74,;-5.01,6.78,;-3.47,6.78,;-2.58,8.04,;-2.99,5.31,;-1.52,4.85,;-2.95,2.1,;-1.48,2.57,)|
CCn1ncc2c(cc(cc12)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |(7.8,7.12,;6.44,6.39,;6.4,4.85,;7.65,3.94,;7.17,2.48,;5.63,2.48,;4.6,1.33,;3.09,1.65,;2.62,3.12,;3.65,4.26,;5.15,3.94,;1.12,3.47,;.78,4.97,;-.61,5.64,;-2,4.97,;-2.34,3.47,;-1.38,2.27,;-2.23,.98,;-1.73,-.48,;-.25,-.91,;.17,-2.39,;1.64,-2.84,;2.07,-4.32,;3.53,-4.81,;3.84,-6.31,;5.33,-6.7,;2.69,-7.34,;3.09,-8.82,;1.23,-6.85,;.18,-7.98,;.92,-5.34,;-3.71,1.39,;-5.01,.56,;-6.38,1.27,;-6.45,2.81,;-7.8,3.55,;-5.15,3.64,;-5.11,5.18,;-3.86,6.08,;-2.41,5.57,;-4.34,7.55,;-5.88,7.55,;-6.74,8.82,;-6.35,6.08,;-7.79,5.54,;-3.78,2.93,;.16,2.27,;.78,.85,;5.06,-.14,;4.02,-1.27,;6.56,-.48,)|
CC(C)n1c(cc2c(cccc12)N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |r,wD:14.16,(6.43,8.34,;6.34,6.8,;7.62,5.95,;4.96,6.11,;3.63,6.89,;2.48,5.87,;3.09,4.46,;2.46,3.06,;3.35,1.81,;4.88,1.95,;5.52,3.36,;4.63,4.61,;.92,2.92,;.02,4.16,;-1.51,4,;-1.57,5.54,;-2.14,2.59,;-1.24,1.35,;-2.14,.1,;-1.65,-1.36,;-.15,-1.7,;.35,-3.15,;1.85,-3.49,;2.31,-4.96,;3.82,-5.24,;4.34,-6.69,;5.84,-7.06,;3.34,-7.86,;3.83,-9.33,;1.83,-7.59,;.84,-8.77,;1.31,-6.14,;-3.61,.58,;-4.94,-.19,;-6.27,.58,;-6.27,2.12,;-7.62,2.86,;-4.94,2.89,;-4.89,4.43,;-6.14,5.33,;-7.61,4.88,;-5.66,6.8,;-4.12,6.8,;-3.24,8.06,;-3.65,5.33,;-2.18,4.86,;-3.61,2.12,;.3,1.51,;1.2,.27,;3.48,8.43,;2.07,9.06,;4.73,9.33,)|
CC(C)c1cc(C2C[C@@H](C)n3c(C2)c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c4c(C)nn(C)c4C)c32)c2n(C)c(cc2c1)C(O)=O |r,wD:8.8,(7.59,.92,;6.06,.77,;5.47,-.66,;5.12,2.01,;3.59,1.86,;2.65,3.1,;1.12,2.93,;.19,4.18,;-1.36,4.01,;-1.36,5.55,;-2.01,2.58,;-1.17,1.39,;.49,1.49,;-2.06,.1,;-1.51,-1.33,;-.03,-1.68,;.42,-3.11,;1.95,-3.46,;2.39,-4.89,;3.93,-5.29,;4.37,-6.67,;5.95,-7.02,;3.38,-7.86,;3.88,-9.34,;1.9,-7.51,;.86,-8.7,;1.45,-6.03,;-3.49,.65,;-4.83,-.14,;-6.11,.6,;-6.11,2.13,;-7.59,2.87,;-4.87,2.87,;-4.87,4.41,;-6.21,5.3,;-7.59,4.76,;-5.67,6.74,;-4.13,6.74,;-3.19,7.92,;-3.69,5.3,;-2.16,4.81,;-3.49,2.13,;3.29,4.53,;2.7,5.92,;1.22,6.16,;3.79,6.95,;5.17,6.16,;4.78,4.68,;5.72,3.44,;3.69,8.49,;4.97,9.34,;2.31,9.17,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(CC3CCOCC3)c(cc12)C(O)=O |r,wD:1.0,(-2.88,5.48,;-2.88,3.94,;-1.35,4.1,;-.45,2.85,;-1.07,1.45,;-.16,.2,;-2.6,1.28,;-3.51,.04,;-3.02,-1.42,;-1.52,-1.75,;-1.03,-3.21,;.48,-3.5,;.92,-4.98,;2.44,-5.24,;2.97,-6.69,;4.48,-7.02,;1.99,-7.87,;2.46,-9.34,;.47,-7.61,;-.5,-8.81,;-.06,-6.16,;-4.97,.51,;-6.31,-.26,;-7.64,.51,;-7.64,2.05,;-9,2.78,;-6.31,2.82,;-6.26,4.36,;-7.51,5.27,;-8.95,4.72,;-7.03,6.73,;-5.49,6.73,;-4.6,7.99,;-5.01,5.27,;-3.55,4.8,;-4.97,2.05,;-3.51,2.53,;1.08,3.04,;1.97,1.79,;3.51,1.93,;4.15,3.33,;3.26,4.59,;3.59,6.09,;5,6.72,;6.33,5.95,;6.33,4.41,;7.67,3.64,;9,4.41,;9,5.95,;7.67,6.72,;2.27,6.87,;1.11,5.86,;1.72,4.44,;2.07,8.4,;.65,9,;3.3,9.34,)|
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CC[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1c1cc(C(O)=O)c2n(C)ccc2c1 |r,wU:2.1,(-.49,7.56,;.41,6.31,;-.21,4.91,;-1.74,4.75,;-2.37,3.34,;-1.47,2.09,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;.71,-5.5,;1.11,-6.99,;.02,-8.08,;2.6,-7.39,;3,-8.88,;3.69,-6.3,;5.17,-6.7,;3.29,-4.81,;-3.84,1.32,;-5.17,.55,;-6.5,1.32,;-6.5,2.86,;-7.84,3.63,;-5.17,3.63,;-5.17,5.17,;-6.41,6.08,;-7.9,5.68,;-5.94,7.54,;-4.4,7.54,;-3.63,8.88,;-3.92,6.08,;-2.44,5.68,;-3.84,2.86,;.07,2.25,;.97,1.01,;.69,3.66,;2.22,3.82,;2.81,5.24,;4.34,5.44,;4.93,6.87,;6.46,7.07,;3.99,8.09,;5.28,4.22,;6.81,4.1,;7.9,5.19,;7.17,2.6,;5.86,1.8,;4.69,2.8,;3.16,2.6,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(F)(F)F)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.44,5.74,;-1.44,4.2,;.09,4.37,;1,3.12,;2.53,3.25,;3.56,2.11,;4.97,2.73,;6.3,1.96,;4.81,4.26,;5.84,5.4,;5.37,6.87,;3.86,7.19,;2.83,6.05,;3.3,4.58,;6.4,8.01,;7.43,9.16,;7.54,6.98,;5.26,9.04,;.37,1.71,;1.27,.47,;-1.16,1.55,;-2.07,.31,;-1.59,-1.16,;-.1,-1.51,;.38,-2.98,;1.88,-3.33,;2.34,-4.8,;3.85,-5.07,;4.37,-6.52,;5.88,-6.83,;3.38,-7.7,;3.88,-9.16,;1.86,-7.43,;.91,-8.64,;1.34,-5.98,;-3.53,.78,;-4.87,.01,;-6.2,.78,;-6.2,2.32,;-7.54,3.08,;-4.87,3.09,;-4.82,4.63,;-6.07,5.54,;-7.5,4.98,;-5.59,7,;-4.05,7,;-3.13,8.23,;-3.58,5.54,;-2.11,5.05,;-3.53,2.32,;-2.07,2.8,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnnn2C)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,4.85,;-.82,3.31,;.71,3.47,;1.62,2.22,;3.14,2.42,;4.17,1.27,;5.58,1.9,;6.95,1.19,;5.42,3.43,;6.45,4.57,;5.97,6.04,;4.47,6.36,;3.44,5.21,;3.91,3.75,;3.98,7.82,;2.52,8.3,;2.52,9.84,;3.98,10.31,;4.89,9.07,;6.43,9.07,;.99,.82,;1.88,-.44,;-.54,.66,;-1.45,-.59,;-1.05,-2.08,;.44,-2.48,;.84,-3.96,;2.32,-4.36,;2.72,-5.85,;4.21,-6.25,;4.61,-7.73,;6.1,-8.13,;3.52,-8.82,;3.92,-10.31,;2.03,-8.43,;.94,-9.51,;1.63,-6.94,;-2.91,-.11,;-4.25,-.88,;-5.58,-.11,;-5.58,1.43,;-6.95,2.13,;-4.25,2.2,;-4.2,3.74,;-5.45,4.64,;-6.88,4.07,;-4.97,6.11,;-3.43,6.11,;-2.54,7.37,;-2.96,4.64,;-1.49,4.18,;-2.91,1.43,;-1.45,1.9,)|
CN(C)CCn1cc2c(cc(cc2n1)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |(9.95,5.87,;8.84,6.94,;9.23,8.43,;7.35,6.53,;6.92,5.05,;5.46,4.56,;5.04,3.08,;3.5,3.03,;2.51,1.85,;.99,2.12,;.47,3.57,;1.46,4.75,;2.97,4.48,;4.19,5.43,;-1.03,3.92,;-1.31,5.43,;-2.66,6.16,;-4.08,5.56,;-4.49,4.07,;-3.59,2.83,;-4.49,1.58,;-4.07,.1,;-5.11,-1.04,;-4.7,-2.52,;-5.72,-3.68,;-5.26,-5.15,;-3.75,-5.42,;-3.22,-6.87,;-1.73,-7.25,;-4.21,-8.05,;-3.83,-9.54,;-5.73,-7.78,;-6.77,-8.91,;-6.25,-6.33,;-5.96,2.06,;-7.29,1.29,;-8.62,2.06,;-8.62,3.6,;-9.95,4.38,;-7.29,4.37,;-7.15,5.9,;-8.4,6.81,;-9.84,6.26,;-7.92,8.27,;-6.38,8.27,;-5.5,9.54,;-5.9,6.81,;-4.47,6.25,;-5.96,3.6,;-2.05,2.76,;-1.52,1.31,;2.98,.39,;4.49,.06,;1.96,-.77,)|
CC(C)c1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc2c1)C(O)=O |r,wD:8.8,(5.33,-1.02,;5.96,.38,;7.49,.55,;5.05,1.63,;3.52,1.47,;2.62,2.72,;1.08,2.55,;.18,3.8,;-1.35,3.64,;-1.35,5.18,;-1.98,2.23,;-1.07,.99,;-1.98,-.26,;-1.58,-1.75,;-.09,-2.15,;.31,-3.63,;1.79,-4.03,;2.19,-5.52,;1.1,-6.61,;1.5,-8.1,;.41,-9.18,;2.99,-8.49,;3.39,-9.98,;4.08,-7.41,;5.56,-7.8,;3.68,-5.92,;-3.44,.22,;-4.78,-.55,;-6.11,.22,;-6.11,1.76,;-7.45,2.53,;-4.78,2.53,;-4.78,4.07,;-6.02,4.97,;-7.49,4.5,;-5.55,6.44,;-4.01,6.44,;-3.1,7.68,;-3.53,4.97,;-2.07,4.5,;-3.44,1.76,;.46,1.15,;1.36,-.1,;3.24,4.12,;2.62,5.53,;1.11,5.85,;.63,7.31,;1.4,8.65,;.63,9.98,;-.91,9.98,;-1.68,8.65,;-.91,7.31,;3.76,6.56,;5.09,5.79,;4.77,4.28,;5.68,3.04,;3.6,8.09,;4.84,9,;2.19,8.72,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(ccn4)C(O)=O)CCCn3c12 |(49.46,-24.69,;48,-24.22,;47.52,-22.76,;45.98,-22.76,;45.07,-21.52,;45.5,-24.23,;44.04,-24.71,;46.75,-25.13,;46.76,-26.68,;45.43,-27.45,;44.1,-26.68,;45.43,-28.99,;46.76,-29.76,;48.1,-28.99,;49.57,-29.47,;50.05,-30.93,;51.55,-31.25,;52.03,-32.72,;53.54,-33.04,;54.01,-34.5,;55.51,-34.81,;55.99,-36.27,;57.5,-36.59,;54.96,-37.43,;55.44,-38.89,;53.45,-37.11,;52.42,-38.25,;52.98,-35.64,;50.48,-28.21,;52.04,-28.28,;52.65,-29.69,;53.06,-27.1,;54.55,-27.5,;55.64,-26.41,;57.12,-26.82,;58.21,-25.73,;57.82,-24.24,;56.32,-23.84,;55.24,-24.93,;59.7,-26.13,;60.79,-25.05,;60.1,-27.62,;52.77,-25.57,;51.4,-24.83,;49.98,-25.46,;49.57,-26.96,;48.1,-27.44,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.59,5.54,;-.54,4.01,;.99,4.15,;1.88,2.92,;1.19,1.53,;2.13,.25,;-.35,1.38,;-1.24,.05,;-.74,-1.34,;.79,-1.73,;1.24,-3.16,;2.77,-3.51,;3.26,-4.9,;4.75,-5.34,;5.24,-6.72,;6.82,-7.07,;4.2,-7.91,;4.7,-9.4,;2.72,-7.52,;1.73,-8.75,;2.27,-6.08,;-2.72,.59,;-4.05,-.15,;-5.34,.59,;-5.34,2.13,;-6.82,2.87,;-4.1,2.87,;-4.05,4.45,;-5.29,5.34,;-6.72,4.8,;-4.8,6.82,;-3.26,6.82,;-2.32,8.06,;-2.82,5.34,;-1.31,4.94,;-2.67,2.13,;-1.19,2.57,;3.46,3.12,;4.3,1.88,;5.83,1.98,;6.77,.74,;6.48,3.41,;5.54,4.7,;5.88,6.18,;4.55,6.97,;4.4,8.5,;2.82,9.1,;5.64,9.4,;3.41,5.88,;1.88,6.18,;4.01,4.5,)|
COc1cccc(Cn2c(cc3cccc(N4C[C@@H](C)n5c(c(CCCOc6cc(C)c(Cl)c(C)c6)c6ccc(Cl)c(-c7c(C)nn(C)c7C)c56)C4=O)c23)C(O)=O)n1 |r,wD:18.18,(-3.54,9.72,;-2.77,8.39,;-1.23,8.39,;-.46,9.72,;1.13,9.72,;1.85,8.39,;1.03,7.05,;1.8,5.77,;3.34,5.41,;4.47,6.49,;5.8,5.67,;5.44,4.18,;6.37,2.95,;5.75,1.51,;4.21,1.41,;3.34,2.64,;1.81,2.49,;.88,3.72,;-.65,3.53,;-.65,5.07,;-1.25,2.12,;-.33,.89,;-1.25,-.4,;-.79,-1.78,;.75,-2.14,;1.21,-3.58,;2.7,-3.89,;3.16,-5.32,;4.67,-5.65,;5.14,-7.12,;6.65,-7.44,;4.11,-8.26,;4.58,-9.72,;2.6,-7.93,;1.57,-9.07,;2.13,-6.47,;-2.69,.17,;-3.98,-.58,;-5.27,.17,;-5.27,1.66,;-6.6,2.43,;-3.98,2.4,;-3.98,3.94,;-5.21,4.81,;-6.65,4.3,;-4.75,6.25,;-3.21,6.25,;-2.33,7.48,;-2.74,4.86,;-1.26,4.35,;-2.69,1.66,;1.2,1.07,;2.13,-.16,;3.96,4.03,;4.32,7.98,;5.56,8.88,;2.91,8.61,;-.46,7.05,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2cn[nH]c2c1 |(-2.29,5.62,;-3.76,6.09,;-4.23,7.56,;-5.77,7.56,;-6.64,8.83,;-6.25,6.09,;-7.69,5.54,;-5,5.19,;-5,3.65,;-6.34,2.88,;-7.72,3.55,;-6.34,1.34,;-5,.57,;-3.67,1.34,;-2.21,.86,;-1.73,-.6,;-.26,-1.05,;.16,-2.53,;1.64,-2.94,;2.02,-4.43,;1,-5.58,;1.48,-7.04,;.46,-8.2,;2.99,-7.35,;3.41,-8.83,;4.01,-6.2,;5.5,-6.59,;3.53,-4.74,;-1.3,2.11,;.24,2.04,;.82,.61,;1.25,3.2,;.98,4.72,;-.38,5.45,;-1.8,4.84,;-2.21,3.36,;-3.67,2.88,;2.75,2.84,;3.3,1.4,;4.82,1.16,;5.25,-.32,;4.19,-1.43,;6.74,-.7,;5.79,2.36,;7.33,2.44,;7.72,3.93,;6.43,4.77,;5.24,3.8,;3.71,4.04,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)NO)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,5.52,;-.82,3.98,;.71,4.14,;1.62,2.89,;3.14,3.09,;4.17,1.94,;5.58,2.57,;6.95,1.86,;5.42,4.1,;6.45,5.24,;5.97,6.71,;4.47,7.03,;3.44,5.88,;3.91,4.42,;3.98,8.49,;5,9.64,;2.47,8.8,;1.45,7.65,;.99,1.49,;1.88,.23,;-.54,1.33,;-1.45,.08,;-1.05,-1.41,;.44,-1.81,;.84,-3.29,;2.32,-3.69,;2.72,-5.18,;4.21,-5.58,;4.61,-7.06,;6.1,-7.46,;3.52,-8.15,;3.92,-9.64,;2.03,-7.76,;.94,-8.84,;1.63,-6.27,;-2.91,.56,;-4.25,-.21,;-5.58,.56,;-5.58,2.1,;-6.95,2.8,;-4.25,2.87,;-4.2,4.41,;-5.45,5.31,;-6.88,4.74,;-4.97,6.78,;-3.43,6.78,;-2.54,8.04,;-2.96,5.31,;-1.49,4.85,;-2.91,2.1,;-1.45,2.57,)|
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COC(=O)C1CN(C)c2c1cccc2N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |r,wD:16.18,(7.76,9.13,;6.35,8.52,;6.19,6.98,;7.44,6.08,;4.78,6.35,;3.45,7.12,;2.31,6.09,;.8,6.41,;2.94,4.68,;4.47,4.85,;5.37,3.6,;4.75,2.2,;3.22,2.03,;2.31,3.28,;.78,3.14,;-.13,4.39,;-1.66,4.23,;-1.66,5.77,;-2.29,2.82,;-1.38,1.58,;-2.29,.33,;-1.81,-1.14,;-.31,-1.49,;.16,-2.95,;1.66,-3.31,;2.12,-4.78,;3.63,-5.05,;4.15,-6.5,;5.66,-6.81,;3.16,-7.68,;3.66,-9.13,;1.64,-7.4,;.69,-8.61,;1.12,-5.95,;-3.75,.81,;-5.08,.04,;-6.42,.81,;-6.42,2.35,;-7.76,3.1,;-5.08,3.12,;-5.04,4.66,;-6.29,5.56,;-7.72,5,;-5.81,7.03,;-4.27,7.03,;-3.35,8.26,;-3.79,5.56,;-2.33,5.07,;-3.75,2.35,;.15,1.74,;1.05,.49,)|
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C[C@@H]1CN(c2cn(C)c3cc(ccc23)C#N)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.39,5.74,;-1.39,4.2,;.15,4.37,;1.05,3.12,;2.59,3.25,;3.61,2.11,;5.02,2.73,;6.35,1.96,;4.86,4.26,;5.9,5.4,;5.42,6.87,;3.92,7.19,;2.88,6.05,;3.36,4.58,;6.45,8.01,;7.49,9.16,;.42,1.71,;1.33,.47,;-1.11,1.55,;-2.01,.31,;-1.54,-1.16,;-.04,-1.51,;.43,-2.98,;1.93,-3.33,;2.39,-4.8,;3.91,-5.07,;4.43,-6.52,;5.94,-6.83,;3.43,-7.7,;3.93,-9.16,;1.92,-7.43,;.97,-8.64,;1.4,-5.98,;-3.48,.78,;-4.81,.01,;-6.14,.78,;-6.14,2.32,;-7.49,3.08,;-4.81,3.09,;-4.77,4.63,;-6.01,5.54,;-7.45,4.98,;-5.54,7,;-4,7,;-3.07,8.23,;-3.52,5.54,;-2.06,5.05,;-3.48,2.32,;-2.01,2.8,)|
C[C@@H]1CN(c2cn(C)c3cc(Cl)c(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.9,5.34,;-.85,3.8,;.68,3.96,;1.59,2.72,;3.12,2.91,;4.15,1.76,;5.55,2.39,;6.9,1.64,;5.39,3.92,;6.42,5.06,;5.95,6.53,;6.98,7.67,;4.44,6.85,;3.41,5.7,;3.89,4.24,;3.96,8.31,;2.46,8.63,;4.99,9.46,;.96,1.31,;1.88,.07,;-.57,1.15,;-1.48,-.1,;-.99,-1.56,;.52,-1.89,;.99,-3.35,;2.5,-3.64,;3.02,-5.09,;4.53,-5.39,;5.02,-6.85,;6.52,-7.21,;4,-8.01,;4.52,-9.46,;2.49,-7.7,;1.5,-8.88,;2,-6.24,;-2.94,.38,;-4.27,-.39,;-5.61,.38,;-5.61,1.92,;-6.98,2.62,;-4.27,2.69,;-4.23,4.23,;-5.47,5.13,;-6.91,4.59,;-5,6.6,;-3.46,6.6,;-2.57,7.86,;-2.98,5.13,;-1.53,4.63,;-2.94,1.92,;-1.48,2.39,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)NN)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,5.34,;-.81,3.8,;.72,3.96,;1.62,2.72,;3.15,2.91,;4.18,1.76,;5.59,2.39,;6.94,1.64,;5.43,3.92,;6.46,5.06,;5.98,6.53,;4.48,6.85,;3.45,5.7,;3.92,4.24,;4,8.31,;5.03,9.46,;2.5,8.63,;1.46,7.49,;1,1.31,;1.92,.07,;-.53,1.15,;-1.44,-.1,;-.95,-1.56,;.55,-1.89,;1.03,-3.35,;2.54,-3.64,;3.05,-5.09,;4.56,-5.39,;5.06,-6.85,;6.55,-7.21,;4.04,-8.01,;4.55,-9.46,;2.53,-7.7,;1.54,-8.88,;2.04,-6.24,;-2.9,.38,;-4.24,-.39,;-5.57,.38,;-5.57,1.92,;-6.94,2.62,;-4.24,2.69,;-4.19,4.23,;-5.44,5.13,;-6.88,4.59,;-4.96,6.6,;-3.42,6.6,;-2.53,7.86,;-2.94,5.13,;-1.49,4.63,;-2.9,1.92,;-1.44,2.39,)|
C[C@@H]1CN(c2nn(CCN3CCOCC3)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-3.24,6.14,;-3.24,4.6,;-1.71,4.77,;-.81,3.52,;.73,3.66,;1.5,4.99,;3,4.67,;4.14,5.71,;5.6,5.22,;6.73,6.27,;6.47,7.78,;7.66,8.77,;9.1,8.24,;9.36,6.72,;8.18,5.73,;3.17,3.14,;4.41,2.23,;4.25,.7,;2.84,.07,;1.6,.98,;1.76,2.51,;5.5,-.2,;5.34,-1.73,;6.91,.41,;-1.43,2.11,;-.53,.87,;-2.96,1.95,;-3.87,.71,;-3.4,-.76,;-1.9,-1.11,;-1.42,-2.58,;.07,-2.93,;.53,-4.4,;-.46,-5.58,;.07,-7.03,;-.9,-8.22,;1.59,-7.3,;2.03,-8.77,;2.58,-6.12,;4.08,-6.46,;2.05,-4.67,;-5.33,1.18,;-6.67,.41,;-8,1.18,;-8,2.72,;-9.36,3.44,;-6.67,3.49,;-6.62,5.03,;-7.87,5.94,;-9.31,5.38,;-7.39,7.4,;-5.85,7.4,;-4.96,8.65,;-5.38,5.94,;-3.91,5.46,;-5.33,2.72,;-3.87,3.2,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C#N)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,5.26,;-.82,3.72,;.71,3.88,;1.62,2.64,;3.15,2.77,;4.18,1.62,;5.59,2.25,;6.92,1.47,;5.43,3.78,;6.46,4.92,;5.99,6.39,;4.48,6.71,;3.45,5.57,;3.92,4.1,;4.01,8.17,;3.53,9.64,;.99,1.23,;1.89,-.02,;-.54,1.07,;-1.45,-.18,;-.97,-1.64,;.53,-2,;1,-3.46,;2.5,-3.81,;2.96,-5.28,;4.47,-5.56,;4.99,-7.01,;6.5,-7.32,;4,-8.18,;4.5,-9.64,;2.48,-7.91,;1.53,-9.12,;1.96,-6.46,;-2.91,.3,;-4.24,-.47,;-5.58,.3,;-5.58,1.84,;-6.92,2.59,;-4.24,2.61,;-4.2,4.15,;-5.45,5.05,;-6.88,4.5,;-4.97,6.52,;-3.43,6.52,;-2.51,7.75,;-2.95,5.05,;-1.49,4.57,;-2.91,1.84,;-1.45,2.31,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(CCN3CCOCC3)c(cc12)C(O)=O |r,wD:1.0,(-3.53,5.64,;-3.53,4.1,;-2,4.27,;-1.1,3.02,;-1.72,1.61,;-.84,.35,;-3.26,1.45,;-4.16,.21,;-3.76,-1.28,;-2.27,-1.68,;-1.88,-3.17,;-.39,-3.57,;.01,-5.05,;1.5,-5.45,;1.9,-6.94,;3.38,-7.34,;.81,-8.03,;1.21,-9.52,;-.68,-7.63,;-1.77,-8.72,;-1.08,-6.14,;-5.63,.68,;-6.96,-.09,;-8.29,.68,;-8.29,2.22,;-9.66,2.93,;-6.96,2.99,;-6.91,4.53,;-8.16,5.44,;-9.59,4.86,;-7.68,6.9,;-6.14,6.9,;-5.26,8.16,;-5.67,5.44,;-4.2,4.98,;-5.63,2.22,;-4.16,2.7,;.43,3.18,;1.37,1.96,;2.9,2.16,;3.49,3.58,;2.55,4.8,;2.83,6.32,;4.22,6.98,;5.49,6.11,;6.88,6.77,;8.15,5.9,;9.54,6.56,;9.66,8.09,;8.39,8.97,;7,8.3,;1.48,7.05,;.36,5.99,;1.02,4.6,;1.28,8.58,;-.14,9.17,;2.5,9.52,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(C(O)=O)c2n(C)ccc12 |r,wD:1.0,(-1.68,6.2,;-1.68,4.66,;-.15,4.82,;.76,3.58,;.13,2.17,;1.04,.92,;-1.4,2.01,;-2.3,.76,;-1.83,-.7,;-.33,-1.05,;.14,-2.52,;1.64,-2.87,;2.1,-4.34,;1.11,-5.52,;1.63,-6.97,;.66,-8.16,;3.15,-7.24,;3.6,-8.71,;4.14,-6.06,;5.64,-6.4,;3.61,-4.61,;-3.77,1.24,;-5.1,.47,;-6.44,1.24,;-6.44,2.78,;-7.8,3.5,;-5.1,3.55,;-5.06,5.09,;-6.3,5.99,;-7.74,5.44,;-5.83,7.46,;-4.29,7.46,;-3.39,8.71,;-3.81,5.99,;-2.35,5.52,;-3.77,2.78,;-2.3,3.26,;2.29,3.71,;3.2,2.47,;4.73,2.64,;5.35,4.05,;6.88,4.22,;7.8,2.98,;7.5,5.63,;4.44,5.29,;4.76,6.8,;6.16,7.43,;3.42,7.56,;2.28,6.53,;2.91,5.12,)|
C[C@@H]1CN(c2cn(C)c3c(cccc23)C#N)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.1,6.21,;-2.1,4.67,;-.56,4.83,;.34,3.58,;1.88,3.71,;2.9,2.57,;4.31,3.19,;5.64,2.42,;4.15,4.72,;5.18,5.87,;4.71,7.33,;3.21,7.65,;2.17,6.51,;2.65,5.05,;6.69,5.54,;8.2,5.22,;-.29,2.17,;.62,.93,;-1.82,2.01,;-2.72,.77,;-2.25,-.7,;-.75,-1.05,;-.28,-2.52,;1.22,-2.87,;1.68,-4.34,;3.2,-4.61,;3.72,-6.06,;5.23,-6.37,;2.72,-7.24,;3.22,-8.69,;1.21,-6.96,;.25,-8.18,;.69,-5.52,;-4.19,1.24,;-5.52,.47,;-6.85,1.24,;-6.85,2.78,;-8.2,3.54,;-5.52,3.55,;-5.48,5.09,;-6.72,6,;-8.16,5.44,;-6.25,7.46,;-4.71,7.46,;-3.78,8.69,;-4.23,6,;-2.77,5.51,;-4.19,2.78,;-2.72,3.26,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2ccc(cc12)C(O)=O |r,wD:1.0,(-.64,5.29,;-.64,3.75,;.85,3.89,;1.71,2.68,;1.09,1.32,;1.98,.06,;-.4,1.18,;-1.26,-.14,;-.75,-1.56,;.77,-1.91,;1.22,-3.38,;2.75,-3.74,;3.25,-5.16,;4.72,-5.51,;5.23,-6.93,;6.8,-7.29,;4.22,-8.1,;4.67,-9.62,;2.7,-7.74,;1.68,-9.01,;2.24,-6.32,;-2.73,.42,;-4.06,-.35,;-5.4,.4,;-5.4,1.94,;-6.73,2.71,;-4.06,2.71,;-4.06,4.25,;-5.38,5.17,;-6.8,4.61,;-4.83,6.59,;-3.3,6.59,;-2.39,7.85,;-2.85,5.17,;-1.33,4.66,;-2.73,1.94,;-1.26,2.4,;3.24,2.88,;4.26,1.66,;5.73,1.81,;6.34,3.18,;5.42,4.45,;6.03,5.87,;5.17,7.09,;3.65,6.98,;3.04,5.51,;3.9,4.3,;2.69,8.25,;1.01,8.05,;3.34,9.62,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(C(O)=O)c2ccn(C)c12 |r,wD:1.0,(-1.68,6.2,;-1.68,4.66,;-.15,4.82,;.76,3.58,;.13,2.17,;1.04,.92,;-1.4,2.01,;-2.3,.76,;-1.83,-.7,;-.33,-1.05,;.14,-2.52,;1.64,-2.87,;2.1,-4.34,;1.11,-5.52,;1.63,-6.97,;.66,-8.16,;3.15,-7.24,;3.6,-8.71,;4.14,-6.06,;5.64,-6.4,;3.61,-4.61,;-3.77,1.24,;-5.1,.47,;-6.44,1.24,;-6.44,2.78,;-7.8,3.5,;-5.1,3.55,;-5.06,5.09,;-6.3,5.99,;-7.74,5.44,;-5.83,7.46,;-4.29,7.46,;-3.39,8.71,;-3.81,5.99,;-2.35,5.52,;-3.77,2.78,;-2.3,3.26,;2.29,3.71,;3.2,2.47,;4.73,2.64,;5.35,4.05,;6.88,4.22,;7.8,2.98,;7.5,5.63,;4.44,5.29,;4.76,6.8,;3.42,7.56,;2.28,6.53,;.77,6.84,;2.91,5.12,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-1.74,5.35,;-.83,4.1,;.7,4.27,;1.6,3.02,;.98,1.61,;1.88,.37,;-.55,1.45,;-1.46,.21,;-1.06,-1.28,;.43,-1.68,;.83,-3.17,;2.31,-3.57,;2.71,-5.05,;1.62,-6.14,;2.02,-7.63,;.93,-8.72,;3.51,-8.03,;3.91,-9.52,;4.6,-6.94,;6.09,-7.34,;4.2,-5.45,;-2.92,.68,;-4.26,-.09,;-5.59,.68,;-5.59,2.22,;-6.92,2.99,;-4.26,2.99,;-4.26,5.9,;-5.59,6.67,;-6.92,5.9,;-5.59,8.21,;-4.26,8.98,;-2.92,8.21,;-2.92,6.67,;-1.59,5.9,;-2.92,2.22,;-1.46,2.7,;3.14,3.18,;4.07,1.96,;5.6,2.16,;6.19,3.58,;5.25,4.8,;5.53,6.32,;6.92,6.98,;4.18,7.05,;3.06,5.99,;3.73,4.6,;3.98,8.58,;2.56,9.17,;5.2,9.52,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(CCN3CCCC3)c(cc12)C(O)=O |r,wD:1.0,(-3.32,5.52,;-3.32,3.98,;-1.79,4.14,;-.89,2.89,;-1.51,1.48,;-.6,.25,;-3.05,1.32,;-3.95,.08,;-3.51,-1.4,;-2.01,-1.77,;-1.53,-3.23,;-.03,-3.57,;.46,-5.03,;1.98,-5.3,;2.5,-6.75,;4.01,-7.07,;1.51,-7.93,;2,-9.39,;-0,-7.66,;-.97,-8.86,;-.53,-6.21,;-5.42,.55,;-6.75,-.22,;-8.08,.55,;-8.08,2.09,;-9.46,2.78,;-6.75,2.86,;-6.75,4.4,;-8,5.31,;-9.44,4.78,;-7.52,6.77,;-5.98,6.77,;-5.07,8.02,;-5.5,5.31,;-4.04,4.84,;-5.42,2.09,;-3.95,2.57,;.64,3.05,;1.58,1.83,;3.11,2.03,;3.7,3.45,;2.76,4.67,;3.04,6.19,;4.43,6.85,;5.7,5.98,;7.09,6.64,;8.56,6.17,;9.46,7.41,;8.56,8.66,;7.09,8.18,;1.69,6.92,;.57,5.86,;1.23,4.47,;1.49,8.45,;.07,9.04,;2.71,9.39,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2cnn(C)c2c1 |r,wD:1.0,(-1.39,6.2,;-1.39,4.66,;.14,4.82,;1.05,3.58,;.42,2.17,;1.33,.92,;-1.11,2.01,;-2.01,.76,;-1.54,-.7,;-.04,-1.05,;.43,-2.52,;1.93,-2.87,;2.39,-4.34,;1.4,-5.52,;1.93,-6.97,;.95,-8.16,;3.44,-7.24,;3.89,-8.71,;4.43,-6.06,;5.93,-6.4,;3.91,-4.61,;-3.48,1.24,;-4.81,.47,;-6.15,1.24,;-6.15,2.78,;-7.51,3.5,;-4.81,3.55,;-4.77,5.09,;-6.01,5.99,;-7.45,5.44,;-5.54,7.46,;-4,7.46,;-3.1,8.71,;-3.52,5.99,;-2.06,5.52,;-3.48,2.78,;-2.01,3.26,;2.58,3.71,;3.2,5.12,;4.73,5.29,;5.35,6.7,;4.44,7.94,;6.88,6.87,;5.65,4.05,;7.18,3.9,;7.51,2.39,;6.18,1.62,;6.02,.08,;5.03,2.64,;3.5,2.47,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)c(cc12)C(F)(F)F)C(O)=O |r,wD:1.0,(-1.35,5.19,;-1.3,3.68,;.21,3.82,;1.11,2.59,;.5,1.17,;1.39,-.06,;-1.06,1.03,;-1.96,-.29,;-1.49,-1.66,;.02,-2.04,;.5,-3.46,;2.01,-3.79,;2.48,-5.26,;4,-5.63,;4.47,-7.05,;6.03,-7.34,;3.43,-8.23,;3.95,-9.7,;1.96,-7.86,;.92,-9.09,;1.49,-6.44,;-3.47,.32,;-4.75,-.48,;-6.08,.28,;-6.08,1.79,;-7.54,2.55,;-4.8,2.55,;-4.75,4.11,;-6.03,5.05,;-7.45,4.48,;-5.51,6.47,;-4,6.47,;-3.05,7.65,;-3.52,5.05,;-2.02,4.65,;-3.38,1.79,;-1.96,2.26,;2.62,2.78,;3.52,1.55,;5.08,1.65,;5.7,3.11,;4.77,4.34,;5.11,5.85,;6.55,6.47,;3.78,6.63,;2.63,5.61,;3.24,4.2,;3.64,8.16,;3.5,9.7,;5.17,8.31,;2.11,8.02,;5.98,.46,;5.22,-1,;7.54,.61,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)-c2nnn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.98,4.33,;-1.93,2.79,;-.4,2.95,;.51,1.7,;2.04,1.9,;3.07,.75,;4.47,1.38,;5.82,.63,;4.31,2.91,;5.34,4.05,;4.87,5.52,;3.36,5.84,;2.33,4.69,;2.81,3.23,;5.9,6.66,;7.43,6.5,;8.06,7.91,;6.91,8.94,;7.07,10.47,;5.58,8.17,;-.12,.3,;.8,-.94,;-1.65,.14,;-2.56,-1.11,;-2.07,-2.57,;-.56,-2.9,;-.09,-4.37,;1.42,-4.65,;1.94,-6.1,;3.45,-6.4,;3.94,-7.86,;5.44,-8.23,;2.92,-9.02,;3.44,-10.47,;1.41,-8.72,;.42,-9.89,;.92,-7.26,;-4.02,-.63,;-5.35,-1.4,;-6.69,-.63,;-6.69,.91,;-8.06,1.61,;-5.35,1.68,;-5.35,3.22,;-6.6,4.12,;-8.04,3.58,;-6.12,5.59,;-4.58,5.59,;-3.7,6.85,;-4.11,4.12,;-2.65,3.62,;-4.02,.91,;-2.56,1.38,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(C(O)=O)n(C)nc12 |r,wD:1.0,(-1.48,6.01,;-1.48,4.47,;.05,4.63,;.95,3.38,;.33,1.97,;1.23,.73,;-1.21,1.81,;-2.11,.57,;-1.64,-.9,;-.14,-1.25,;.33,-2.72,;1.83,-3.07,;2.29,-4.54,;1.3,-5.72,;1.83,-7.17,;.85,-8.36,;3.34,-7.43,;3.79,-8.91,;4.33,-6.25,;5.84,-6.6,;3.81,-4.81,;-3.58,1.04,;-4.91,.27,;-6.24,1.04,;-6.24,2.58,;-7.6,3.31,;-4.91,3.35,;-4.87,4.89,;-6.11,5.8,;-7.55,5.24,;-5.64,7.26,;-4.1,7.26,;-3.2,8.52,;-3.62,5.8,;-2.15,5.32,;-3.58,2.58,;-2.11,3.06,;2.49,3.52,;3.4,2.28,;4.93,2.44,;5.55,3.85,;4.64,5.1,;4.95,6.6,;6.35,7.24,;6.51,8.77,;7.6,6.34,;3.61,7.37,;3.63,8.91,;2.47,6.33,;3.11,4.93,)|
C[C@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(21.3,-45.12,;22.21,-46.36,;23.75,-46.2,;24.65,-47.45,;26.19,-47.44,;27.09,-46.19,;28.56,-46.66,;29.8,-45.75,;28.56,-48.2,;29.7,-49.21,;29.4,-50.71,;27.93,-51.2,;26.79,-50.18,;27.1,-48.68,;27.62,-52.71,;28.77,-53.73,;26.16,-53.19,;24.02,-48.86,;24.93,-50.1,;22.5,-49.02,;21.59,-50.27,;21.58,-51.8,;22.9,-52.58,;22.89,-54.12,;24.21,-54.91,;24.2,-56.45,;25.52,-57.22,;25.51,-58.75,;26.85,-59.53,;24.17,-59.52,;24.15,-61.06,;22.84,-58.74,;21.5,-59.49,;22.85,-57.2,;20.12,-49.79,;18.79,-50.57,;17.46,-49.8,;17.46,-48.25,;16.12,-47.48,;18.79,-47.48,;18.78,-44.59,;17.53,-43.69,;16.07,-44.17,;18,-42.22,;19.54,-42.21,;20.44,-40.97,;20.02,-43.68,;21.49,-44.15,;20.12,-48.25,;21.59,-47.77,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3cc(C)ccn3)c12 |r,wD:1.0,(-.66,4.43,;-.66,2.89,;.87,3.05,;1.78,1.8,;1.15,.4,;2.07,-.84,;-.38,.24,;-1.29,-1.01,;-.8,-2.47,;.71,-2.8,;1.19,-4.26,;2.69,-4.6,;3.2,-6.05,;4.72,-6.29,;5.27,-7.73,;6.78,-8.06,;4.3,-8.93,;4.78,-10.39,;2.78,-8.69,;1.84,-9.91,;2.23,-7.25,;-2.75,-.53,;-4.08,-1.3,;-5.42,-.53,;-5.42,1.01,;-6.78,1.73,;-4.08,1.78,;-4.08,3.32,;-5.33,4.22,;-6.77,3.68,;-4.85,5.69,;-3.31,5.69,;-2.41,6.93,;-2.84,4.22,;-1.37,3.75,;-2.75,1.01,;-1.29,1.48,;3.31,1.97,;4.25,.74,;5.77,.94,;6.36,2.37,;5.43,3.59,;5.71,5.1,;4.35,5.84,;4.15,7.37,;5.38,8.3,;2.73,7.96,;3.24,4.78,;1.72,5.06,;.95,6.39,;1.72,7.73,;.95,9.06,;1.72,10.39,;-.59,9.06,;-1.36,7.73,;-.59,6.39,;3.9,3.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2ccn(C)c12 |(7.76,-23.42,;6.29,-22.95,;5.81,-21.48,;4.27,-21.49,;3.36,-20.24,;3.8,-22.95,;2.34,-23.43,;5.05,-23.85,;5.06,-25.4,;3.73,-26.17,;2.4,-25.4,;3.73,-27.72,;5.06,-28.49,;6.4,-27.72,;7.87,-28.2,;8.35,-29.66,;9.85,-29.98,;10.33,-31.44,;11.84,-31.76,;12.31,-33.23,;13.81,-33.54,;14.29,-35,;15.8,-35.31,;13.26,-36.15,;13.74,-37.62,;11.75,-35.83,;10.72,-36.98,;11.28,-34.37,;8.78,-26.94,;10.34,-27,;10.95,-28.42,;11.36,-25.82,;11.07,-24.29,;9.7,-23.56,;8.28,-24.18,;7.87,-25.69,;6.39,-26.16,;12.84,-26.23,;13.92,-25.14,;15.41,-25.53,;15.81,-27.03,;17.3,-27.43,;18.39,-26.34,;17.69,-28.91,;14.71,-28.11,;14.79,-29.64,;13.36,-30.19,;12.39,-29,;10.9,-29.39,;13.23,-27.71,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cccc3cc(ccc23)C(O)=O)cc(C)c1Cl |(-.06,-7.95,;1.03,-6.86,;.54,-5.4,;1.56,-4.24,;1.17,-2.75,;-.31,-2.34,;-.73,-.85,;-2.21,-.45,;-2.71,1.01,;-1.81,2.25,;-.27,2.18,;.36,.78,;.74,3.34,;.47,4.86,;-.89,5.59,;-2.3,4.98,;-2.71,3.5,;-4.18,3.02,;-5.51,3.79,;-6.84,3.02,;-8.2,3.75,;-6.84,1.48,;-5.51,.71,;-4.18,1.48,;-5.51,5.33,;-6.84,6.1,;-8.19,5.36,;-6.84,7.64,;-5.51,8.41,;-4.18,7.64,;-4.18,6.1,;-2.83,5.36,;2.23,2.94,;2.57,1.44,;4.04,.98,;5.17,2.02,;4.83,3.52,;5.97,4.57,;5.63,6.07,;4.16,6.53,;3.03,5.48,;3.36,3.98,;6.72,7.16,;6.32,8.65,;8.2,6.76,;3.07,-4.55,;3.56,-6.01,;5.05,-6.4,;2.54,-7.16,;2.96,-8.65,)|
C[C@@H]1CN(c2cn(C)c3c(cccc23)-c2nnnn2C)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.55,6.16,;-2.55,4.62,;-1.02,4.78,;-.12,3.53,;1.41,3.71,;2.44,2.56,;3.85,3.19,;5.17,2.4,;3.69,4.72,;4.72,5.86,;4.24,7.33,;2.74,7.65,;1.71,6.5,;2.18,5.04,;6.21,5.49,;7.36,6.52,;8.69,5.75,;8.37,4.24,;6.84,4.08,;6.12,2.72,;-.74,2.12,;.17,.88,;-2.28,1.96,;-3.18,.72,;-2.72,-.75,;-1.22,-1.1,;-.74,-2.56,;.77,-2.85,;1.24,-4.32,;2.76,-4.6,;3.27,-6.05,;4.78,-6.38,;2.27,-7.22,;2.79,-8.67,;.76,-6.94,;-.22,-8.13,;.24,-5.49,;-4.65,1.19,;-5.98,.42,;-7.31,1.19,;-7.31,2.73,;-8.69,3.42,;-5.98,3.5,;-5.98,5.04,;-7.23,5.95,;-8.68,5.44,;-6.75,7.41,;-5.21,7.41,;-4.33,8.67,;-4.73,5.95,;-3.26,5.49,;-4.65,2.73,;-3.18,3.21,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2cnn(CCN3CCOCC3)c2c1 |r,wD:1.0,(-1.76,6.2,;-1.76,4.66,;-.23,4.82,;.68,3.58,;.05,2.17,;.96,.92,;-1.48,2.01,;-2.38,.76,;-1.91,-.7,;-.41,-1.05,;.06,-2.52,;1.56,-2.87,;2.02,-4.34,;1.03,-5.52,;1.56,-6.97,;.58,-8.16,;3.07,-7.24,;3.52,-8.71,;4.06,-6.06,;5.56,-6.4,;3.54,-4.61,;-3.85,1.24,;-5.18,.47,;-6.52,1.24,;-6.52,2.78,;-7.88,3.5,;-5.18,3.55,;-5.14,5.09,;-6.38,5.99,;-7.82,5.44,;-5.91,7.46,;-4.37,7.46,;-3.47,8.71,;-3.89,5.99,;-2.43,5.52,;-3.85,2.78,;-2.38,3.26,;2.21,3.71,;2.83,5.12,;4.36,5.29,;4.98,6.7,;4.07,7.94,;6.51,6.87,;5.28,4.05,;6.81,3.9,;7.14,2.39,;5.81,1.62,;5.65,.08,;6.88,-.85,;6.69,-2.37,;5.25,-2.91,;4.99,-4.43,;6.17,-5.41,;7.62,-4.88,;7.88,-3.36,;4.66,2.64,;3.13,2.47,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-2.24,5.79,;-1.45,4.48,;.09,4.62,;.98,3.36,;.28,2.01,;1.26,.75,;-1.21,1.87,;-2.1,.56,;-1.59,-.89,;-.09,-1.21,;.37,-2.61,;1.91,-2.94,;2.33,-4.39,;1.35,-5.56,;1.77,-6.96,;.75,-8.12,;3.32,-7.33,;3.78,-8.78,;4.3,-6.16,;5.88,-6.49,;3.88,-4.76,;-3.6,1.12,;-4.9,.33,;-6.21,1.07,;-6.21,2.61,;-7.7,3.36,;-4.95,3.36,;-4.95,4.91,;-6.2,5.82,;-7.7,5.42,;-5.72,7.3,;-4.17,7.3,;-3.4,8.64,;-3.69,5.82,;-2.35,5.05,;-3.55,2.61,;-2.1,3.08,;2.52,3.55,;3.46,2.33,;4.95,2.47,;5.56,3.88,;4.67,5.14,;5.04,6.63,;3.64,7.38,;2.52,6.35,;1.03,6.63,;3.13,4.95,;6.35,7.28,;6.58,8.78,;7.7,6.35,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)nc(CN3CCCC3)nc2C)c2cn(C)c3ccc(cc23)C(O)=O)cc(C)c1Cl |(6.4,-8.63,;4.92,-8.22,;4.59,-6.71,;3.13,-6.24,;2.73,-4.75,;1.24,-4.37,;.84,-2.88,;-.63,-2.45,;-1.14,-.99,;-.23,.25,;1.31,.18,;1.92,-1.23,;2.32,1.34,;2.05,2.86,;.69,3.59,;-.73,2.98,;-1.14,1.5,;-2.6,1.02,;-3.93,1.79,;-5.27,1.02,;-6.63,1.75,;-5.27,-.52,;-3.93,-1.29,;-2.6,-.52,;-3.93,3.33,;-5.27,4.1,;-6.6,3.33,;-5.27,5.64,;-3.93,6.41,;-3.93,7.95,;-5.27,8.72,;-5.27,10.26,;-6.73,10.74,;-7.64,9.49,;-6.73,8.25,;-2.6,5.64,;-2.6,4.1,;-1.27,3.33,;3.83,1.02,;4.45,-.38,;5.98,-.22,;7.01,-1.37,;6.3,1.28,;7.64,2.05,;7.64,3.59,;6.3,4.36,;4.97,3.59,;4.97,2.05,;6.3,5.9,;4.97,6.67,;7.64,6.67,;1.99,-7.27,;2.31,-8.78,;1.29,-9.93,;3.78,-9.25,;4.17,-10.74,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2cn(CCN3CCOCC3)nc2c1 |r,wD:1.0,(-4.83,6.2,;-4.83,4.66,;-3.3,4.82,;-2.39,3.58,;-3.02,2.17,;-2.11,.92,;-4.55,2.01,;-5.45,.76,;-4.98,-.7,;-3.48,-1.05,;-3.01,-2.52,;-1.51,-2.87,;-1.05,-4.34,;-2.04,-5.52,;-1.52,-6.97,;-2.49,-8.16,;0,-7.24,;.45,-8.71,;.99,-6.06,;2.49,-6.4,;.47,-4.61,;-6.92,1.24,;-8.25,.47,;-9.59,1.24,;-9.59,2.78,;-10.95,3.5,;-8.25,3.55,;-8.21,5.09,;-9.45,5.99,;-10.89,5.44,;-8.98,7.46,;-7.44,7.46,;-6.54,8.71,;-6.96,5.99,;-5.5,5.52,;-6.92,2.78,;-5.45,3.26,;-.86,3.71,;-.24,5.12,;1.29,5.29,;1.91,6.7,;1,7.94,;3.44,6.87,;2.2,4.05,;3.74,3.9,;4.06,2.39,;5.47,1.77,;6.72,2.68,;8.13,2.07,;8.29,.53,;9.7,-.08,;10.95,.83,;10.78,2.36,;9.37,2.98,;2.74,1.62,;1.59,2.64,;.05,2.47,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cn(C)c4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-2.26,5.81,;-1.49,4.47,;.04,4.63,;.95,3.39,;.32,1.98,;1.26,.76,;-1.21,1.82,;-2.12,.57,;-1.63,-.89,;-.12,-1.22,;.32,-2.69,;1.83,-2.98,;2.32,-4.44,;1.32,-5.62,;1.84,-7.07,;.87,-8.27,;3.35,-7.35,;3.83,-8.81,;4.35,-6.17,;5.85,-6.5,;3.83,-4.72,;-3.58,1.05,;-4.91,.28,;-6.25,1.05,;-6.25,2.59,;-7.63,3.26,;-4.91,3.36,;-4.91,4.9,;-3.67,5.8,;-2.33,5.03,;-4.14,7.27,;-5.68,7.27,;-6.45,8.6,;-6.16,5.8,;-7.65,5.41,;-3.58,2.59,;-2.12,3.07,;2.48,3.53,;3.38,2.28,;4.91,2.43,;5.55,3.83,;4.65,5.08,;4.98,6.59,;3.66,7.37,;2.5,6.34,;.99,6.64,;3.12,4.93,;6.36,7.27,;6.45,8.81,;7.65,6.43,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(CC3CCO3)c12 |r,wD:1.0,(-.59,5.49,;-.59,3.95,;.94,4.11,;1.84,2.87,;1.22,1.46,;2.16,.24,;-.31,1.3,;-1.22,.05,;-.73,-1.41,;.77,-1.74,;1.21,-3.21,;2.72,-3.54,;3.18,-5.01,;4.69,-5.27,;5.22,-6.72,;6.73,-7.05,;4.24,-7.9,;4.73,-9.36,;2.72,-7.64,;1.73,-8.82,;2.19,-6.2,;-2.68,.53,;-4.02,-.24,;-5.35,.53,;-5.35,2.07,;-6.73,2.76,;-4.02,2.84,;-4.02,4.38,;-5.26,5.28,;-6.69,4.7,;-4.79,6.75,;-3.25,6.75,;-2.37,8.01,;-2.77,5.28,;-1.31,4.81,;-2.68,2.07,;-1.22,2.54,;3.38,3.03,;4.31,1.81,;5.84,2.01,;6.43,3.43,;5.49,4.65,;5.77,6.16,;4.42,6.9,;4.22,8.43,;5.44,9.36,;2.8,9.02,;3.3,5.84,;1.79,6.12,;1.02,7.46,;1.42,8.94,;-.07,9.34,;-.47,7.85,;3.96,4.45,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cc(ccc12)C(O)=O |r,wD:1.0,(-1.59,5.03,;-.82,3.7,;.71,3.75,;1.48,2.42,;.71,1.09,;1.62,-.16,;-.83,1.09,;-1.59,-.05,;-1.11,-1.51,;.4,-1.85,;.85,-3.32,;2.36,-3.62,;2.82,-5.09,;4.34,-5.35,;4.87,-6.8,;6.37,-7.14,;3.88,-7.98,;4.4,-9.43,;2.36,-7.72,;1.4,-8.92,;1.83,-6.27,;-3.06,.43,;-4.39,-.34,;-5.73,.43,;-5.73,1.97,;-7.07,2.71,;-4.39,2.74,;-4.39,5.65,;-5.73,6.42,;-7.06,5.65,;-5.73,7.96,;-4.39,8.73,;-3.06,7.96,;-3.06,6.42,;-1.72,5.65,;-3.06,1.97,;-1.6,2.42,;3.01,2.57,;3.91,1.32,;5.44,1.47,;6.08,2.87,;5.18,4.13,;5.81,5.53,;4.91,6.78,;3.38,6.63,;2.75,5.22,;3.64,3.97,;5.54,8.18,;4.64,9.43,;7.07,8.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1nccc2cc(ccc12)C(N)=O |r,wD:1.0,(-.87,5.19,;-.87,3.65,;.66,3.81,;1.57,2.56,;.94,1.16,;1.86,-.08,;-.59,1,;-1.5,-.25,;-1.01,-1.71,;.5,-2.04,;.98,-3.5,;2.49,-3.84,;2.99,-5.3,;4.51,-5.54,;5.06,-6.97,;6.57,-7.3,;4.09,-8.17,;4.57,-9.64,;2.57,-7.93,;1.63,-9.15,;2.02,-6.49,;-2.96,.23,;-4.29,-.54,;-5.63,.23,;-5.63,1.77,;-6.99,2.49,;-4.29,2.54,;-4.29,4.08,;-5.54,4.98,;-6.98,4.43,;-5.06,6.45,;-3.52,6.45,;-2.61,7.69,;-3.05,4.98,;-1.58,4.51,;-2.96,1.77,;-1.5,2.24,;3.1,2.72,;4.04,1.5,;5.56,1.7,;6.15,3.12,;5.22,4.35,;5.81,5.77,;4.87,6.99,;3.34,6.79,;2.75,5.37,;3.69,4.15,;5.46,8.41,;4.52,9.64,;6.99,8.61,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(nn(C)c12)C(O)=O |r,wD:1.0,(-1.48,6.08,;-1.48,4.54,;.05,4.7,;.95,3.45,;.33,2.04,;1.23,.8,;-1.21,1.88,;-2.11,.64,;-1.64,-.83,;-.14,-1.18,;.33,-2.65,;1.83,-3,;2.29,-4.47,;1.3,-5.65,;1.83,-7.1,;.85,-8.29,;3.34,-7.36,;3.79,-8.84,;4.33,-6.19,;5.84,-6.53,;3.81,-4.74,;-3.58,1.11,;-4.91,.34,;-6.24,1.11,;-6.24,2.65,;-7.6,3.38,;-4.91,3.42,;-4.87,4.96,;-6.11,5.87,;-7.55,5.31,;-5.64,7.33,;-4.1,7.33,;-3.2,8.58,;-3.62,5.87,;-2.15,5.39,;-3.58,2.65,;-2.11,3.13,;2.49,3.59,;3.4,2.34,;4.93,2.51,;5.55,3.92,;4.64,5.16,;4.95,6.67,;3.61,7.44,;2.47,6.4,;.96,6.71,;3.11,5,;6.35,7.31,;6.51,8.84,;7.6,6.41,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C)cc2cc(C(N)=O)n(C)c12 |r,wD:1.0,(-.59,5.47,;-.59,3.93,;.88,4.08,;1.75,2.87,;1.14,1.52,;2.04,.27,;-.34,1.37,;-1.2,.07,;-.72,-1.32,;.82,-1.7,;1.25,-3.15,;2.79,-3.48,;3.27,-4.88,;4.76,-5.31,;5.24,-6.71,;6.78,-7.04,;4.18,-7.86,;4.71,-9.35,;2.69,-7.48,;1.68,-8.73,;2.26,-6.03,;-2.69,.65,;-3.99,-.12,;-5.29,.6,;-5.29,2.14,;-6.78,2.91,;-3.99,2.91,;-3.99,4.5,;-5.39,5.27,;-6.64,4.4,;-5.34,6.76,;-3.99,7.53,;-2.65,6.76,;-2.65,5.22,;-1.3,4.42,;-2.65,2.14,;-1.2,2.58,;3.28,3.03,;4.21,1.8,;5.74,1.99,;6.67,.77,;6.33,3.41,;5.4,4.64,;5.69,6.15,;4.34,6.89,;4.15,8.42,;5.38,9.35,;2.73,9.02,;3.22,5.84,;1.71,6.13,;3.88,4.45,)|
COC(=O)c1cc2OCCOc2c(c1)N1CCCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |(4.46,6.47,;5.94,6.03,;6.3,4.54,;7.8,4.17,;5.24,3.43,;5.59,1.93,;4.46,.87,;4.81,-.63,;3.69,-1.68,;2.21,-1.23,;1.86,.27,;2.99,1.32,;2.64,2.82,;3.76,3.87,;1.15,3.23,;.88,4.74,;-.48,5.47,;-1.9,4.87,;-2.3,3.38,;-1.4,2.13,;-2.3,.89,;-1.8,-.57,;-.32,-.96,;.06,-2.46,;1.53,-2.9,;1.92,-4.39,;3.43,-4.7,;3.91,-6.16,;5.4,-6.55,;2.89,-7.31,;3.3,-8.8,;1.38,-7.01,;.34,-8.14,;.9,-5.55,;-3.77,1.36,;-5.1,.59,;-6.44,1.36,;-6.44,2.9,;-7.8,3.63,;-5.1,3.67,;-5.06,5.21,;-3.81,6.12,;-2.35,5.63,;-4.29,7.58,;-5.83,7.58,;-6.77,8.8,;-6.3,6.12,;-7.75,5.58,;-3.77,2.9,;.14,2.07,;.77,.66,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2ccnc3ccc(cc23)C(O)=O)cc(C)c1Cl |(.88,-8.15,;1.92,-7.01,;1.6,-5.51,;2.74,-4.48,;2.35,-2.99,;.86,-2.57,;.48,-1.08,;-1,-.66,;-1.51,.79,;-.6,2.04,;.94,1.97,;1.55,.56,;1.95,3.13,;1.68,4.64,;.32,5.37,;-1.1,4.77,;-1.51,3.28,;-2.97,2.81,;-4.3,3.58,;-5.64,2.81,;-7.01,3.52,;-5.64,1.27,;-4.3,.5,;-2.97,1.27,;-4.26,5.12,;-5.59,5.89,;-6.91,5.09,;-5.59,7.43,;-4.26,8.2,;-2.92,7.43,;-2.92,5.89,;-1.61,5.08,;3.42,2.66,;3.88,1.19,;5.38,.85,;6.42,1.98,;5.96,3.45,;7.01,4.59,;6.55,6.06,;5.04,6.39,;4,5.26,;4.46,3.79,;4.65,7.88,;3.16,8.27,;5.73,8.97,;4.21,-4.95,;4.53,-6.45,;6.02,-6.86,;3.39,-7.49,;3.81,-8.97,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(N)=O)n(C)c12 |r,wD:1.0,(-.59,5.47,;-.59,3.93,;.88,4.08,;1.75,2.87,;1.14,1.52,;2.04,.27,;-.34,1.37,;-1.2,.07,;-.72,-1.32,;.82,-1.7,;1.25,-3.15,;2.79,-3.48,;3.27,-4.88,;4.76,-5.31,;5.24,-6.71,;6.78,-7.04,;4.18,-7.86,;4.71,-9.35,;2.69,-7.48,;1.68,-8.73,;2.26,-6.03,;-2.69,.65,;-3.99,-.12,;-5.29,.6,;-5.29,2.14,;-6.78,2.91,;-3.99,2.91,;-3.99,4.5,;-5.24,5.41,;-6.7,4.93,;-4.76,6.87,;-3.22,6.87,;-2.45,8.2,;-2.75,5.41,;-1.28,4.93,;-2.65,2.14,;-1.2,2.58,;3.28,3.03,;4.21,1.8,;5.74,1.99,;6.33,3.41,;5.4,4.64,;5.69,6.15,;4.34,6.89,;4.15,8.42,;5.38,9.35,;2.73,9.02,;3.22,5.84,;1.71,6.13,;3.88,4.45,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(N)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,5.42,;-.82,3.88,;.71,4.04,;1.62,2.8,;3.15,2.93,;4.18,1.78,;5.59,2.41,;6.92,1.64,;5.43,3.94,;6.46,5.08,;5.99,6.55,;4.48,6.87,;3.45,5.73,;3.92,4.26,;4.01,8.34,;2.5,8.66,;5.04,9.48,;.99,1.39,;1.89,.14,;-.54,1.23,;-1.45,-.02,;-.97,-1.48,;.53,-1.83,;1,-3.3,;2.5,-3.65,;2.96,-5.12,;4.47,-5.4,;4.99,-6.85,;6.5,-7.16,;4,-8.02,;4.5,-9.48,;2.48,-7.75,;1.53,-8.96,;1.96,-6.3,;-2.91,.46,;-4.24,-.31,;-5.58,.46,;-5.58,2,;-6.92,2.75,;-4.24,2.77,;-4.2,4.31,;-5.45,5.21,;-6.88,4.66,;-4.97,6.68,;-3.43,6.68,;-2.51,7.91,;-2.95,5.21,;-1.49,4.73,;-2.91,2,;-1.45,2.48,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C)cc2cc(C(N)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.59,5.08,;-.59,3.54,;.94,3.68,;1.83,2.42,;1.19,1.02,;2.08,-.24,;-.35,.88,;-1.27,-.35,;-.82,-1.82,;.68,-2.2,;1.18,-3.65,;2.69,-3.99,;3.19,-5.44,;4.71,-5.69,;5.25,-7.13,;6.75,-7.49,;4.28,-8.32,;4.78,-9.78,;2.76,-8.08,;1.75,-9.24,;2.21,-6.63,;-2.73,.14,;-4.07,-.61,;-5.39,.18,;-5.37,1.72,;-6.75,2.41,;-4.03,2.47,;-4.03,4.01,;-5.36,4.78,;-6.7,4.01,;-5.36,6.32,;-4.03,7.09,;-2.7,6.32,;-2.7,4.78,;-1.36,4.01,;-2.71,1.68,;-1.23,2.14,;3.36,2.59,;4.27,1.35,;5.8,1.51,;6.7,.26,;6.43,2.92,;5.52,4.16,;5.84,5.67,;4.51,6.44,;4.4,7.97,;5.67,8.84,;3.01,8.65,;3.36,5.41,;1.87,5.78,;1.09,7.11,;1.86,8.45,;1.09,9.78,;-.45,9.78,;-1.22,8.45,;-.45,7.11,;3.99,4,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cccc12)C(O)=O |r,wD:1.0,(77,-4.92,;77.91,-6.17,;79.44,-6.01,;80.35,-7.25,;79.72,-8.66,;80.62,-9.91,;78.2,-8.82,;77.29,-10.07,;77.27,-11.6,;78.6,-12.39,;78.59,-13.93,;79.91,-14.71,;79.9,-16.25,;81.22,-17.02,;81.21,-18.56,;82.55,-19.34,;79.86,-19.33,;79.85,-20.87,;78.54,-18.54,;77.2,-19.3,;78.55,-17,;75.82,-9.59,;74.49,-10.37,;73.16,-9.6,;73.16,-8.06,;71.82,-7.29,;74.49,-7.29,;74.48,-4.39,;73.23,-3.49,;71.76,-3.97,;73.7,-2.02,;75.24,-2.02,;76.14,-.77,;75.72,-3.48,;77.19,-3.95,;75.82,-8.05,;77.29,-7.57,;81.89,-7.25,;82.64,-5.92,;84.17,-5.91,;84.96,-7.24,;84.2,-8.56,;84.98,-9.87,;84.23,-11.21,;82.69,-11.23,;81.91,-9.91,;82.66,-8.57,;86.52,-9.85,;87.3,-11.18,;87.27,-8.51,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)[N+]([O-])=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,5.36,;-.81,3.82,;.72,3.98,;1.62,2.73,;3.15,2.92,;4.18,1.78,;5.59,2.4,;6.94,1.66,;5.43,3.94,;6.46,5.08,;5.98,6.54,;4.48,6.86,;3.45,5.72,;3.92,4.26,;4,8.33,;2.5,8.65,;5.03,9.47,;1,1.32,;1.92,.09,;-.53,1.16,;-1.44,-.08,;-.97,-1.55,;.53,-1.91,;1.02,-3.37,;2.52,-3.7,;3.01,-5.16,;4.53,-5.42,;5.06,-6.87,;6.57,-7.19,;4.07,-8.05,;4.55,-9.52,;2.56,-7.79,;1.54,-8.95,;2.02,-6.35,;-2.9,.39,;-4.24,-.38,;-5.57,.39,;-5.57,1.93,;-6.94,2.64,;-4.24,2.7,;-4.24,4.24,;-5.48,5.15,;-6.93,4.62,;-5.01,6.61,;-3.47,6.61,;-2.53,7.83,;-2.99,5.15,;-1.53,4.65,;-2.9,1.93,;-1.44,2.41,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(CC3(C)COC3)c12 |r,wD:1.0,(-.59,5.55,;-.59,4.01,;.94,4.15,;1.83,2.89,;1.19,1.49,;2.08,.24,;-.35,1.35,;-1.27,.12,;-.82,-1.35,;.68,-1.73,;1.18,-3.18,;2.69,-3.52,;3.19,-4.97,;4.71,-5.22,;5.25,-6.66,;6.75,-7.02,;4.28,-7.85,;4.78,-9.31,;2.76,-7.6,;1.75,-8.77,;2.21,-6.16,;-2.73,.61,;-4.07,-.14,;-5.39,.65,;-5.37,2.19,;-6.75,2.88,;-4.03,2.94,;-4.03,4.48,;-5.28,5.39,;-6.73,4.88,;-4.8,6.85,;-3.26,6.85,;-2.38,8.12,;-2.78,5.39,;-1.32,4.92,;-2.71,2.15,;-1.23,2.61,;3.36,3.06,;4.27,1.82,;5.8,1.98,;6.43,3.39,;5.52,4.63,;5.84,6.14,;4.51,6.91,;4.4,8.45,;5.67,9.31,;3.01,9.12,;3.36,5.88,;1.87,6.25,;1.1,7.59,;1.87,8.92,;.01,8.67,;-1.08,7.59,;.01,6.5,;3.99,4.47,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1ccc(C(O)=O)c2cccnc12 |r,wD:1.0,(-2.31,5.41,;-1.54,4.07,;-.01,4.13,;.76,2.79,;-.01,1.46,;.9,.22,;-1.55,1.46,;-2.31,.33,;-1.82,-1.14,;-.32,-1.47,;.14,-2.95,;1.65,-3.25,;2.1,-4.72,;3.62,-4.98,;4.15,-6.43,;5.65,-6.76,;3.17,-7.61,;3.68,-9.06,;1.65,-7.35,;.69,-8.55,;1.12,-5.9,;-3.77,.8,;-5.11,.03,;-6.44,.8,;-6.44,2.34,;-7.79,3.09,;-5.11,3.11,;-5.11,5.98,;-6.44,6.75,;-7.78,5.98,;-6.44,8.29,;-5.11,9.06,;-3.77,8.29,;-3.77,6.75,;-2.44,5.98,;-3.77,2.34,;-2.32,2.79,;2.29,2.94,;3.19,1.69,;4.73,1.84,;5.36,3.25,;6.89,3.4,;7.79,2.15,;7.52,4.8,;4.46,4.5,;5.09,5.9,;4.19,7.15,;2.66,7,;2.03,5.6,;2.93,4.35,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2c(ccnc12)C(O)=O |r,wD:1.0,(-2.18,5.41,;-1.41,4.07,;.12,4.13,;.89,2.79,;.12,1.46,;1.03,.22,;-1.42,1.46,;-2.18,.33,;-1.69,-1.14,;-.19,-1.47,;.27,-2.95,;1.78,-3.25,;2.23,-4.72,;3.75,-4.98,;4.28,-6.43,;5.79,-6.76,;3.3,-7.61,;3.82,-9.06,;1.78,-7.35,;.82,-8.55,;1.25,-5.9,;-3.64,.8,;-4.98,.03,;-6.31,.8,;-6.31,2.34,;-7.66,3.09,;-4.98,3.11,;-4.98,5.98,;-6.31,6.75,;-7.64,5.98,;-6.31,8.29,;-4.98,9.06,;-3.64,8.29,;-3.64,6.75,;-2.31,5.98,;-3.64,2.34,;-2.19,2.79,;2.43,2.94,;3.33,1.69,;4.86,1.84,;5.49,3.25,;4.59,4.5,;5.23,5.9,;4.33,7.15,;2.79,7,;2.16,5.6,;3.06,4.35,;6.76,6.06,;7.39,7.46,;7.66,4.8,)|
COc1ccc(Cn2c(cc3cccc(N4C[C@@H](C)n5c(c(CCCOc6cc(C)c(Cl)c(C)c6)c6ccc(Cl)c(-c7c(C)nn(C)c7C)c56)C4=O)c23)C(O)=O)nc1 |r,wD:17.17,(-.45,11.11,;-1.22,9.78,;-.45,8.45,;-1.22,7.11,;-.45,5.78,;1.09,5.78,;1.87,4.45,;3.36,4.07,;4.51,5.1,;5.84,4.33,;5.52,2.83,;6.43,1.58,;5.8,.18,;4.27,.01,;3.36,1.26,;1.83,1.09,;.94,2.34,;-.59,2.2,;-.59,3.74,;-1.23,.81,;-.35,-.45,;-1.27,-1.69,;-.82,-3.16,;.68,-3.53,;1.18,-4.99,;2.69,-5.32,;3.19,-6.78,;4.71,-7.03,;5.25,-8.47,;6.75,-8.83,;4.28,-9.66,;4.78,-11.11,;2.76,-9.41,;1.75,-10.57,;2.21,-7.97,;-2.73,-1.19,;-4.07,-1.94,;-5.39,-1.15,;-5.37,.39,;-6.75,1.07,;-4.03,1.14,;-4.03,2.68,;-5.28,3.58,;-6.73,3.08,;-4.8,5.05,;-3.26,5.05,;-2.38,6.31,;-2.78,3.58,;-1.32,3.11,;-2.71,.35,;1.19,-.31,;2.08,-1.57,;3.99,2.67,;4.4,6.64,;5.67,7.5,;3.01,7.31,;1.86,7.11,;1.09,8.45,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc3C(=O)N(C)CCn3c12 |r,wD:1.0,(-.72,5,;-.66,3.46,;.87,3.62,;1.77,2.38,;1.15,.97,;2.06,-.27,;-.39,.81,;-1.29,-.44,;-.79,-1.89,;.71,-2.24,;1.23,-3.69,;2.73,-4.04,;3.25,-5.49,;4.76,-5.76,;5.3,-7.2,;6.79,-7.57,;4.31,-8.38,;4.8,-9.84,;2.79,-8.12,;1.78,-9.28,;2.26,-6.68,;-2.76,.04,;-4.09,-.73,;-5.42,.04,;-5.42,1.58,;-6.79,2.29,;-4.09,2.35,;-4.04,3.89,;-5.29,4.79,;-6.73,4.25,;-4.81,6.26,;-3.27,6.26,;-2.31,7.47,;-2.79,4.79,;-1.33,4.31,;-2.76,1.58,;-1.29,2.06,;3.31,2.53,;4.2,1.27,;5.73,1.42,;6.37,2.82,;5.48,4.08,;5.81,5.58,;4.48,6.36,;4.17,7.87,;5.31,8.91,;2.71,8.36,;2.32,9.84,;1.56,7.34,;1.87,5.83,;3.33,5.34,;3.94,3.93,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(CC3COC3)c12 |r,wD:1.0,(-.59,5.47,;-.59,3.93,;.94,4.07,;1.83,2.81,;1.19,1.41,;2.08,.16,;-.35,1.27,;-1.27,.04,;-.82,-1.43,;.68,-1.81,;1.18,-3.26,;2.69,-3.59,;3.19,-5.05,;4.71,-5.3,;5.25,-6.74,;6.75,-7.1,;4.28,-7.93,;4.78,-9.39,;2.76,-7.68,;1.75,-8.85,;2.21,-6.24,;-2.73,.54,;-4.07,-.22,;-5.39,.57,;-5.37,2.11,;-6.75,2.8,;-4.03,2.86,;-4.03,4.4,;-5.28,5.31,;-6.73,4.81,;-4.8,6.77,;-3.26,6.77,;-2.38,8.04,;-2.78,5.31,;-1.32,4.84,;-2.71,2.08,;-1.23,2.53,;3.36,2.99,;4.27,1.74,;5.8,1.9,;6.43,3.31,;5.52,4.56,;5.84,6.06,;4.51,6.83,;4.4,8.37,;5.67,9.23,;3.01,9.04,;3.36,5.8,;1.87,6.17,;1.09,7.5,;1.48,8.99,;-.01,9.39,;-.4,7.9,;3.99,4.39,)|
COc1cc(cc(N2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c1OCCCO)C(O)=O |(6.49,5.83,;6.9,4.34,;5.82,3.25,;6.11,1.74,;4.95,.73,;3.49,1.23,;3.2,2.74,;1.7,3.12,;1.43,4.63,;.07,5.36,;-1.34,4.76,;-1.75,3.27,;-.85,2.03,;-1.75,.78,;-1.24,-.67,;.24,-1.09,;.63,-2.58,;2.11,-3,;2.48,-4.49,;3.95,-4.96,;4.28,-6.46,;5.77,-6.87,;3.14,-7.5,;3.52,-8.99,;1.68,-7.03,;.66,-8.18,;1.35,-5.53,;-3.22,1.26,;-4.55,.49,;-5.89,1.26,;-5.89,2.8,;-7.24,3.54,;-4.55,3.57,;-4.51,5.11,;-3.26,6.01,;-1.79,5.55,;-3.74,7.48,;-5.28,7.48,;-6.13,8.76,;-5.75,6.01,;-7.18,5.44,;-3.22,2.8,;.69,1.96,;1.32,.55,;4.36,3.75,;4.02,5.26,;5.09,6.37,;4.69,7.86,;5.73,8.99,;7.24,8.67,;5.33,-.76,;4.22,-1.83,;6.82,-1.16,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cc(cnc12)C(O)=O |r,wD:1.0,(-1.6,5.03,;-.83,3.7,;.71,3.75,;1.48,2.42,;.71,1.09,;1.61,-.16,;-.83,1.09,;-1.6,-.05,;-1.11,-1.51,;.39,-1.85,;.85,-3.32,;2.36,-3.62,;2.82,-5.09,;4.33,-5.35,;4.87,-6.8,;6.37,-7.14,;3.88,-7.98,;4.4,-9.43,;2.36,-7.72,;1.4,-8.92,;1.83,-6.28,;-3.06,.43,;-4.39,-.34,;-5.73,.43,;-5.73,1.97,;-7.08,2.71,;-4.39,2.74,;-4.39,5.61,;-5.73,6.38,;-7.06,5.61,;-5.73,7.92,;-4.39,8.69,;-3.06,7.92,;-3.06,6.38,;-1.73,5.61,;-3.06,1.97,;-1.6,2.42,;3.01,2.57,;3.91,1.32,;5.44,1.47,;6.07,2.87,;5.17,4.12,;5.81,5.53,;4.91,6.78,;3.38,6.63,;2.74,5.22,;3.64,3.97,;5.54,8.18,;4.64,9.43,;7.08,8.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cc(C(N)=O)n(C)c12 |r,wD:1.0,(-.59,5.55,;-.59,4.01,;.94,4.15,;1.83,2.89,;1.19,1.49,;2.08,.24,;-.35,1.35,;-1.27,.12,;-.82,-1.35,;.68,-1.73,;1.18,-3.18,;2.69,-3.52,;3.19,-4.97,;4.71,-5.22,;5.25,-6.66,;6.75,-7.02,;4.28,-7.85,;4.78,-9.31,;2.76,-7.6,;1.75,-8.77,;2.21,-6.16,;-2.73,.61,;-4.07,-.14,;-5.39,.65,;-5.37,2.19,;-6.75,2.88,;-4.03,2.94,;-4.03,4.48,;-5.36,5.25,;-6.7,4.48,;-5.36,6.79,;-4.03,7.56,;-2.7,6.79,;-2.7,5.25,;-1.36,4.48,;-2.71,2.15,;-1.23,2.61,;3.36,3.06,;4.27,1.82,;5.8,1.98,;6.43,3.39,;5.52,4.63,;5.84,6.14,;4.51,6.91,;4.4,8.45,;5.67,9.31,;3.01,9.12,;3.36,5.88,;1.87,6.25,;3.99,4.47,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(N)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.59,5.08,;-.59,3.54,;.94,3.68,;1.83,2.42,;1.19,1.02,;2.08,-.24,;-.35,.88,;-1.27,-.35,;-.82,-1.82,;.68,-2.2,;1.18,-3.65,;2.69,-3.99,;3.19,-5.44,;4.71,-5.69,;5.25,-7.13,;6.75,-7.49,;4.28,-8.32,;4.78,-9.78,;2.76,-8.08,;1.75,-9.24,;2.21,-6.63,;-2.73,.14,;-4.07,-.61,;-5.39,.18,;-5.37,1.72,;-6.75,2.41,;-4.03,2.47,;-4.03,4.01,;-5.28,4.92,;-6.73,4.41,;-4.8,6.38,;-3.26,6.38,;-2.38,7.64,;-2.78,4.92,;-1.32,4.44,;-2.71,1.68,;-1.23,2.14,;3.36,2.59,;4.27,1.35,;5.8,1.51,;6.43,2.92,;5.52,4.16,;5.84,5.67,;4.51,6.44,;4.4,7.97,;5.67,8.84,;3.01,8.65,;3.36,5.41,;1.87,5.78,;1.09,7.11,;-.45,7.11,;-1.22,8.45,;-.45,9.78,;1.09,9.78,;1.86,8.45,;3.99,4,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-1.48,6.08,;-1.48,4.54,;.05,4.7,;.95,3.45,;.33,2.04,;1.23,.8,;-1.21,1.88,;-2.11,.64,;-1.64,-.83,;-.14,-1.18,;.33,-2.65,;1.83,-3,;2.29,-4.47,;1.3,-5.65,;1.83,-7.1,;.85,-8.29,;3.34,-7.36,;3.79,-8.84,;4.33,-6.19,;5.84,-6.53,;3.81,-4.74,;-3.58,1.11,;-4.91,.34,;-6.24,1.11,;-6.24,2.65,;-7.6,3.38,;-4.91,3.42,;-4.87,4.96,;-6.11,5.87,;-7.55,5.31,;-5.64,7.33,;-4.1,7.33,;-3.2,8.58,;-3.62,5.87,;-2.15,5.39,;-3.58,2.65,;-2.11,3.13,;2.49,3.59,;3.4,2.34,;4.93,2.51,;5.55,3.92,;4.64,5.16,;4.95,6.67,;3.61,7.44,;2.47,6.4,;.96,6.71,;3.11,5,;6.35,7.31,;6.51,8.84,;7.6,6.41,)|
CC(C)CCN1CCn2c(cc3cccc(N4C[C@@H](C)n5c(c(CCCOc6cc(C)c(Cl)c(C)c6)c6ccc(Cl)c(-c7c(C)nn(C)c7C)c56)C4=O)c23)C1=O |r,wD:18.18,(-1.05,10.65,;.43,10.25,;1.52,11.33,;.83,8.76,;2.32,8.36,;2.71,6.87,;1.56,5.85,;1.87,4.34,;3.33,3.85,;4.48,4.87,;5.81,4.09,;5.48,2.59,;6.37,1.33,;5.73,-.07,;4.2,-.22,;3.31,1.04,;1.77,.89,;.87,2.13,;-.66,1.97,;-.72,3.51,;-1.29,.57,;-.39,-.68,;-1.29,-1.92,;-.79,-3.38,;.71,-3.73,;1.23,-5.18,;2.73,-5.53,;3.25,-6.98,;4.76,-7.24,;5.3,-8.69,;6.79,-9.06,;4.31,-9.87,;4.8,-11.33,;2.79,-9.61,;1.78,-10.77,;2.26,-8.16,;-2.75,-1.45,;-4.09,-2.22,;-5.42,-1.45,;-5.42,.09,;-6.79,.8,;-4.09,.86,;-4.04,2.4,;-5.29,3.31,;-6.73,2.76,;-4.81,4.77,;-3.27,4.77,;-2.31,5.98,;-2.79,3.31,;-1.33,2.82,;-2.75,.09,;1.15,-.52,;2.06,-1.76,;3.94,2.44,;4.17,6.38,;5.31,7.42,)|
CC(c1ccccn1)n1c(cc2cccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:18.19,(1.12,4.43,;1.87,5.78,;1.08,7.1,;-.46,7.1,;-1.23,8.43,;-.46,9.76,;1.08,9.76,;1.85,8.43,;3.36,5.39,;4.51,6.42,;5.84,5.65,;5.52,4.14,;6.43,2.9,;5.8,1.49,;4.27,1.33,;3.36,2.58,;1.83,2.46,;.94,3.72,;-.6,3.57,;-.6,5.11,;-1.24,2.17,;-.35,.92,;-1.27,-.32,;-.77,-1.77,;.73,-2.12,;1.25,-3.57,;2.75,-3.92,;3.22,-5.39,;4.73,-5.68,;5.23,-7.14,;6.75,-7.43,;4.22,-8.3,;4.71,-9.76,;2.71,-8.01,;1.75,-9.21,;2.21,-6.55,;-2.73,.18,;-4.07,-.58,;-5.4,.21,;-5.38,1.75,;-6.75,2.46,;-4.03,2.5,;-4.03,4.04,;-5.28,4.95,;-6.71,4.37,;-4.8,6.41,;-3.26,6.41,;-2.37,7.67,;-2.79,4.95,;-1.33,4.46,;-2.71,1.72,;1.18,1.06,;2.08,-.19,;3.99,3.98,;4.35,7.95,;5.6,8.86,;2.94,8.58,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12)c1cc(C(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-1.37,6.55,;-1.37,5.01,;.16,5.18,;1.07,3.93,;.44,2.52,;1.35,1.28,;-1.09,2.36,;-1.99,1.12,;-1.52,-.35,;-.02,-.7,;.45,-2.17,;1.95,-2.52,;2.41,-3.99,;1.42,-5.17,;1.94,-6.62,;.97,-7.81,;3.46,-6.89,;3.91,-8.36,;4.45,-5.71,;5.95,-6.05,;3.92,-4.26,;-3.46,1.59,;-4.79,.82,;-6.13,1.59,;-6.13,3.13,;-7.49,3.85,;-4.79,3.9,;-4.75,5.44,;-5.99,6.35,;-7.43,5.79,;-5.52,7.81,;-3.98,7.81,;-3.5,6.35,;-2.04,5.87,;-3.46,3.13,;-1.99,3.61,;2.6,4.07,;3.51,2.82,;5.04,2.99,;5.96,1.75,;5.34,.34,;7.49,1.92,;5.66,4.4,;7.13,4.89,;7.13,6.43,;5.66,6.89,;5.19,8.36,;4.75,5.64,;3.22,5.48,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(Cl)cc(nc12)C(O)=O |r,wD:1.0,(-1.14,5.3,;-1.09,3.77,;.44,3.93,;1.34,2.68,;.72,1.27,;1.63,.03,;-.81,1.11,;-1.72,-.13,;-1.22,-1.59,;.28,-1.94,;.8,-3.39,;2.3,-3.74,;2.82,-5.19,;4.34,-5.45,;4.87,-6.9,;6.36,-7.27,;3.88,-8.08,;4.37,-9.54,;2.36,-7.82,;1.35,-8.98,;1.83,-6.37,;-3.18,.34,;-4.52,-.43,;-5.85,.34,;-5.85,1.88,;-7.22,2.59,;-4.52,2.65,;-4.47,4.19,;-5.71,5.1,;-7.15,4.55,;-5.24,6.56,;-3.7,6.56,;-2.74,7.77,;-3.22,5.1,;-1.76,4.61,;-3.18,1.88,;-1.72,2.36,;2.88,2.83,;3.77,1.58,;5.3,1.72,;5.94,3.13,;5.05,4.38,;5.69,5.78,;7.22,5.93,;4.79,7.03,;3.26,6.89,;2.62,5.48,;3.52,4.23,;2.36,8.14,;.83,7.99,;3,9.54,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ncccc3C)c12 |r,wD:1.0,(-.6,5.11,;-.6,3.57,;.94,3.72,;1.83,2.46,;1.18,1.06,;2.08,-.19,;-.35,.92,;-1.27,-.32,;-.77,-1.77,;.73,-2.12,;1.25,-3.57,;2.75,-3.92,;3.22,-5.39,;4.73,-5.68,;5.23,-7.14,;6.75,-7.43,;4.22,-8.3,;4.71,-9.76,;2.71,-8.01,;1.75,-9.21,;2.21,-6.55,;-2.73,.18,;-4.07,-.58,;-5.4,.21,;-5.38,1.75,;-6.75,2.46,;-4.03,2.5,;-4.03,4.04,;-5.28,4.95,;-6.71,4.37,;-4.8,6.41,;-3.26,6.41,;-2.37,7.67,;-2.79,4.95,;-1.33,4.46,;-2.71,1.72,;-1.24,2.17,;3.36,2.58,;4.27,1.33,;5.8,1.49,;6.43,2.9,;5.52,4.14,;5.84,5.65,;4.51,6.42,;4.35,7.95,;5.6,8.86,;2.94,8.58,;3.36,5.39,;1.87,5.78,;1.08,7.1,;1.85,8.43,;1.08,9.76,;-.46,9.76,;-1.23,8.43,;-.46,7.1,;-1.23,5.76,;3.99,3.98,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12)c1cc(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.37,6.78,;-1.37,5.24,;.16,5.4,;1.07,4.15,;.44,2.74,;1.35,1.5,;-1.09,2.58,;-1.99,1.34,;-1.52,-.13,;-.02,-.48,;.45,-1.95,;1.95,-2.3,;2.41,-3.77,;1.42,-4.95,;1.94,-6.4,;.97,-7.59,;3.46,-6.66,;3.91,-8.14,;4.45,-5.48,;5.95,-5.83,;3.92,-4.04,;-3.46,1.81,;-4.79,1.04,;-6.13,1.81,;-6.13,3.35,;-7.49,4.08,;-4.79,4.12,;-4.75,5.66,;-5.99,6.57,;-7.43,6.01,;-5.52,8.03,;-3.98,8.03,;-3.5,6.57,;-2.04,6.09,;-3.46,3.35,;-1.99,3.83,;2.6,4.29,;3.51,3.05,;5.04,3.21,;5.66,4.62,;4.75,5.87,;5.06,7.37,;6.47,8.01,;3.73,8.14,;2.59,7.1,;3.22,5.7,;5.96,1.97,;5.34,.56,;7.49,2.14,)|
C[C@@H]1CN(c2cn(COCC[Si](C)(C)C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.86,5.37,;-2.81,3.83,;-1.28,3.99,;-.37,2.75,;1.16,2.89,;2.21,1.77,;3.6,2.41,;4.94,1.64,;4.94,.1,;6.27,-.67,;6.27,-2.21,;4.94,-2.98,;3.6,-3.75,;4.17,-1.64,;5.71,-4.31,;3.42,3.94,;4.43,5.1,;3.93,6.56,;2.42,6.86,;1.41,5.7,;1.91,4.24,;1.92,8.31,;.41,8.61,;2.93,9.48,;-1,1.34,;-.09,.1,;-2.53,1.18,;-3.44,-.07,;-2.94,-1.52,;-1.44,-1.87,;-.92,-3.32,;.58,-3.67,;1.1,-5.12,;2.62,-5.39,;3.15,-6.83,;4.64,-7.2,;2.16,-8.01,;2.65,-9.48,;.65,-7.75,;-.37,-8.91,;.11,-6.31,;-4.9,.41,;-6.24,-.36,;-7.57,.41,;-7.57,1.95,;-8.94,2.66,;-6.24,2.72,;-6.19,4.26,;-7.43,5.16,;-8.87,4.62,;-6.96,6.63,;-5.42,6.63,;-4.46,7.84,;-4.94,5.16,;-3.48,4.68,;-4.9,1.95,;-3.44,2.42,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ccn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,4.52,;-.81,2.98,;.72,3.14,;1.62,1.89,;3.15,2.09,;4.18,.94,;5.59,1.57,;6.94,.82,;5.43,3.1,;6.46,4.24,;5.98,5.71,;4.48,6.03,;3.45,4.88,;3.92,3.42,;4,7.49,;4.91,8.74,;4,9.99,;2.54,9.51,;1.2,10.28,;2.54,7.97,;1,.49,;1.92,-.75,;-.53,.33,;-1.44,-.92,;-.95,-2.38,;.55,-2.71,;1.03,-4.17,;2.54,-4.46,;3.05,-5.91,;4.56,-6.21,;5.06,-7.67,;6.55,-8.03,;4.04,-8.83,;4.55,-10.28,;2.53,-8.52,;1.54,-9.7,;2.04,-7.07,;-2.9,-.44,;-4.24,-1.21,;-5.57,-.44,;-5.57,1.1,;-6.94,1.8,;-4.24,1.87,;-4.24,3.41,;-5.48,4.31,;-6.92,3.77,;-5.01,5.78,;-3.47,5.78,;-2.58,7.04,;-2.99,4.31,;-1.53,3.81,;-2.9,1.1,;-1.44,1.57,)|
Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)ccc12)C(O)=O |(-2.29,6.25,;-3.75,6.75,;-4.22,8.21,;-5.76,8.21,;-6.24,6.75,;-7.67,6.17,;-4.99,5.84,;-5.04,4.3,;-6.37,3.53,;-7.72,4.27,;-6.37,1.99,;-5.04,1.22,;-3.7,1.99,;-2.24,1.52,;-1.74,.06,;-.27,-.41,;.16,-1.89,;1.65,-2.29,;2.04,-3.78,;3.54,-4.12,;4,-5.59,;5.49,-5.98,;2.96,-6.72,;3.35,-8.21,;1.45,-6.39,;.41,-7.52,;1,-4.92,;-1.33,2.76,;.21,2.69,;.81,1.28,;1.22,3.85,;.94,5.37,;-.41,6.1,;-1.83,5.49,;-2.24,4.01,;-3.7,3.53,;2.71,3.46,;3.06,1.96,;4.53,1.51,;5.65,2.57,;5.3,4.07,;6.18,5.33,;7.72,5.42,;5.26,6.56,;3.8,6.05,;3.83,4.51,;4.93,.03,;3.83,-1.06,;6.41,-.38,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(Cl)cc2cc(oc12)C(O)=O |r,wD:1.0,(-.63,5.64,;-.63,4.1,;.9,4.27,;1.81,3.02,;1.18,1.61,;2.07,.35,;-.35,1.45,;-1.26,.21,;-.86,-1.28,;.63,-1.68,;1.03,-3.17,;2.51,-3.57,;2.91,-5.05,;1.82,-6.14,;2.22,-7.63,;1.13,-8.72,;3.71,-8.03,;4.11,-9.52,;4.8,-6.94,;6.29,-7.34,;4.4,-5.45,;-2.72,.68,;-4.06,-.09,;-5.39,.68,;-5.39,2.22,;-6.74,2.97,;-4.06,2.99,;-4.06,4.53,;-5.3,5.44,;-6.74,4.87,;-4.83,6.9,;-3.29,6.9,;-2.33,8.11,;-2.81,5.44,;-1.34,4.96,;-2.72,2.22,;-1.26,2.7,;3.34,3.18,;4.27,1.96,;5.8,2.16,;6.74,.94,;6.39,3.58,;5.45,4.8,;5.73,6.32,;4.38,7.05,;3.26,5.99,;3.93,4.6,;4.18,8.58,;2.76,9.17,;5.4,9.52,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ccccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,4.45,;-.81,2.91,;.72,3.07,;1.62,1.82,;3.15,2.01,;4.18,.87,;5.59,1.5,;6.94,.75,;5.43,3.03,;6.46,4.17,;5.98,5.64,;4.48,5.96,;3.45,4.81,;3.92,3.35,;4,7.42,;5.03,8.57,;4.56,10.03,;3.05,10.35,;2.02,9.21,;2.5,7.74,;1,.42,;1.92,-.82,;-.53,.26,;-1.44,-.99,;-.95,-2.45,;.55,-2.78,;1.03,-4.25,;2.54,-4.53,;3.05,-5.98,;4.56,-6.28,;5.06,-7.74,;6.55,-8.11,;4.04,-8.9,;4.55,-10.35,;2.53,-8.6,;1.54,-9.78,;2.04,-7.14,;-2.9,-.51,;-4.24,-1.28,;-5.57,-.51,;-5.57,1.03,;-6.94,1.73,;-4.24,1.8,;-4.24,3.34,;-5.48,4.24,;-6.92,3.69,;-5.01,5.71,;-3.47,5.71,;-2.58,6.96,;-2.99,4.24,;-1.53,3.74,;-2.9,1.03,;-1.44,1.5,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)C1=CNC(C(O)=O)=C(O)N1 |t:42,48,(-2.49,5.71,;-3.97,6.14,;-4.45,7.61,;-5.99,7.61,;-6.93,8.82,;-6.46,6.14,;-7.93,5.69,;-5.22,5.24,;-5.26,3.7,;-6.59,2.93,;-7.95,3.65,;-6.59,1.39,;-5.26,.62,;-3.93,1.39,;-2.46,.91,;-1.95,-.54,;-.47,-.98,;-.06,-2.47,;1.42,-2.91,;1.83,-4.4,;3.34,-4.73,;3.79,-6.2,;5.29,-6.56,;2.75,-7.34,;3.14,-8.82,;1.25,-7,;.22,-8.15,;.79,-5.53,;-1.56,2.16,;-.02,2.09,;.61,.69,;.99,3.25,;.72,4.77,;-.64,5.5,;-2.05,4.89,;-2.46,3.41,;-3.93,2.93,;2.47,2.8,;3.67,3.77,;5.1,3.22,;5.34,1.69,;6.8,1.21,;7.11,-.3,;7.95,2.23,;4.14,.73,;4.56,-.75,;2.71,1.28,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc([nH]c12)C(O)=O |r,wD:1.0,(-.46,5.64,;-.46,4.1,;1.07,4.27,;1.98,3.02,;1.35,1.61,;2.24,.35,;-.18,1.45,;-1.08,.21,;-.69,-1.28,;.8,-1.68,;1.2,-3.17,;2.69,-3.57,;3.09,-5.05,;2,-6.14,;2.4,-7.63,;1.31,-8.72,;3.88,-8.03,;4.28,-9.52,;4.97,-6.94,;6.46,-7.34,;4.57,-5.45,;-2.55,.68,;-3.88,-.09,;-5.22,.68,;-5.22,2.22,;-6.56,2.97,;-3.88,2.99,;-3.88,4.53,;-5.13,5.44,;-6.56,4.87,;-4.65,6.9,;-3.11,6.9,;-2.16,8.11,;-2.64,5.44,;-1.17,4.96,;-2.55,2.22,;-1.08,2.7,;3.51,3.18,;4.45,1.96,;5.97,2.16,;6.56,3.58,;5.63,4.8,;5.91,6.32,;4.56,7.05,;3.44,5.99,;4.1,4.6,;4.35,8.58,;2.93,9.17,;5.58,9.52,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCCC5)nc4C)c3n12 |r,wD:1.0,(-.36,4.25,;-.31,2.71,;1.22,2.87,;2.13,1.63,;3.65,1.82,;4.68,.67,;6.09,1.3,;7.44,.56,;5.93,2.83,;6.96,3.98,;6.48,5.44,;4.98,5.76,;3.95,4.62,;4.42,3.15,;4.5,7.23,;3,7.55,;5.53,8.37,;1.5,.22,;2.42,-1.02,;-.03,.06,;-.94,-1.19,;-.45,-2.65,;1.05,-2.98,;1.53,-4.44,;3.04,-4.73,;3.56,-6.18,;5.07,-6.48,;5.56,-7.94,;7.05,-8.3,;4.54,-9.09,;5.06,-10.55,;3.03,-8.79,;2.04,-9.97,;2.54,-7.33,;-2.4,-.71,;-3.74,-1.48,;-5.07,-.71,;-5.07,.83,;-6.44,1.54,;-3.74,1.6,;-3.74,3.14,;-5.07,3.91,;-6.4,3.14,;-5.07,5.45,;-3.74,6.22,;-3.74,7.76,;-5.07,8.53,;-5.07,10.07,;-6.53,10.55,;-7.44,9.3,;-6.53,8.05,;-2.4,5.45,;-2.4,3.91,;-1.07,3.14,;-2.4,.83,;-.94,1.31,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2ccn(C)c12 |r,wD:1.0,(-.61,6.2,;-.61,4.66,;.93,4.82,;1.83,3.57,;1.2,2.17,;2.11,.92,;-.33,2.01,;-1.23,.76,;-.79,-.71,;.72,-1.06,;1.2,-2.52,;2.7,-2.87,;3.2,-4.33,;4.72,-4.6,;5.24,-6.05,;6.74,-6.38,;4.24,-7.23,;4.68,-8.7,;2.73,-6.95,;1.75,-8.14,;2.21,-5.5,;-2.7,1.24,;-4.03,.47,;-5.36,1.24,;-5.36,2.78,;-6.74,3.46,;-4.03,3.55,;-3.99,5.09,;-5.23,5.99,;-6.66,5.41,;-4.76,7.46,;-3.22,7.46,;-2.31,8.7,;-2.74,5.99,;-1.28,5.52,;-2.7,2.78,;-1.23,3.25,;3.36,3.74,;4.13,2.41,;5.67,2.41,;6.44,3.74,;5.67,5.08,;6.15,6.54,;4.9,7.45,;3.66,6.54,;2.14,6.8,;4.13,5.08,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2cnn(C)c2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,4.56,;-.81,3.02,;.72,3.18,;1.63,1.93,;3.16,2.09,;4.19,.94,;5.6,1.57,;6.94,.82,;5.44,3.1,;6.47,4.25,;5.99,5.71,;4.49,6.03,;3.46,4.89,;3.93,3.42,;3.97,7.48,;4.87,8.73,;3.97,9.97,;2.5,9.5,;1.23,10.36,;2.5,7.96,;1,.52,;1.9,-.73,;-.53,.36,;-1.43,-.88,;-.96,-2.35,;.53,-2.71,;1.05,-4.16,;2.55,-4.52,;3.02,-5.99,;4.53,-6.28,;5.04,-7.73,;6.55,-8.03,;4.03,-8.9,;4.5,-10.36,;2.52,-8.61,;1.56,-9.82,;2.01,-7.15,;-2.9,-.41,;-4.23,-1.18,;-5.57,-.41,;-5.57,1.13,;-6.92,1.86,;-4.23,1.9,;-4.23,3.44,;-5.48,4.35,;-6.94,3.88,;-5,5.81,;-3.46,5.81,;-2.56,7.06,;-2.99,4.35,;-1.53,3.85,;-2.9,1.13,;-1.43,1.61,)|
C[C@@H]1CN(c2cn(C)c3c(cccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.85,6.16,;-1.85,4.62,;-.31,4.78,;.59,3.54,;2.13,3.67,;3.16,2.53,;4.56,3.16,;5.9,2.39,;4.4,4.69,;5.43,5.84,;4.95,7.3,;3.44,7.62,;2.41,6.47,;2.89,5.01,;6.94,5.52,;7.96,6.66,;7.41,4.05,;-.04,2.13,;.87,.88,;-1.57,1.97,;-2.47,.72,;-2,-.74,;-.5,-1.1,;-.03,-2.56,;1.47,-2.91,;1.93,-4.38,;.94,-5.56,;1.47,-7.01,;.49,-8.2,;2.98,-7.28,;3.43,-8.75,;3.97,-6.1,;5.47,-6.44,;3.45,-4.65,;-3.94,1.2,;-5.27,.43,;-6.6,1.2,;-6.6,2.74,;-7.96,3.46,;-5.27,3.51,;-5.27,5.05,;-6.52,5.95,;-7.95,5.4,;-6.04,7.42,;-4.5,7.42,;-3.73,8.75,;-4.02,5.95,;-2.56,5.48,;-3.94,2.74,;-2.47,3.21,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nn[nH]n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,4.7,;-.81,3.17,;.72,3.33,;1.63,2.08,;3.16,2.23,;4.21,1.1,;5.6,1.75,;6.94,.98,;5.42,3.28,;6.43,4.44,;5.93,5.9,;4.42,6.19,;3.41,5.03,;3.91,3.57,;3.92,7.65,;4.83,8.9,;3.92,10.14,;2.46,9.67,;2.46,8.13,;1,.67,;1.91,-.57,;-.53,.51,;-1.44,-.73,;-.94,-2.19,;.56,-2.54,;1.08,-3.99,;2.58,-4.34,;3.1,-5.79,;4.62,-6.05,;5.15,-7.5,;6.64,-7.87,;4.16,-8.68,;4.65,-10.14,;2.65,-8.42,;1.63,-9.58,;2.11,-6.97,;-2.9,-.26,;-4.24,-1.03,;-5.57,-.26,;-5.57,1.28,;-6.94,1.99,;-4.24,2.05,;-4.19,3.59,;-5.43,4.5,;-6.87,3.95,;-4.96,5.96,;-3.42,5.96,;-2.46,7.17,;-2.94,4.5,;-1.48,4.01,;-2.9,1.28,;-1.44,1.76,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(N)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CCN5CCCC5)c4C)c3n12 |r,wD:1.0,(-.79,3.63,;-.79,2.09,;.74,2.25,;1.64,1.01,;3.17,1.18,;4.2,.03,;5.61,.66,;6.94,-.12,;5.45,2.19,;6.48,3.34,;6,4.8,;4.5,5.12,;3.47,3.98,;3.94,2.51,;4.03,6.59,;5.06,7.73,;2.52,6.92,;1.02,-.4,;1.93,-1.64,;-.52,-.56,;-1.42,-1.81,;-.97,-3.28,;.53,-3.65,;.98,-5.12,;2.48,-5.46,;3,-6.91,;2.01,-8.08,;2.53,-9.53,;1.56,-10.72,;4.05,-9.8,;4.55,-11.26,;5.04,-8.63,;6.54,-8.96,;4.52,-7.18,;-2.89,-1.33,;-4.22,-2.1,;-5.55,-1.33,;-5.55,.21,;-6.94,.88,;-4.22,.98,;-4.17,2.52,;-5.41,3.43,;-6.84,2.85,;-4.94,4.89,;-3.4,4.89,;-2.52,6.15,;-3.29,7.49,;-2.52,8.82,;-.99,8.98,;-.66,10.49,;-2,11.26,;-3.14,10.23,;-2.92,3.43,;-1.46,2.94,;-2.89,.21,;-1.42,.69,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)-c2nn[nH]n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.87,5.06,;-1.82,3.52,;-.29,3.68,;.61,2.44,;2.15,2.59,;3.19,1.46,;4.59,2.11,;5.93,1.34,;4.41,3.64,;5.42,4.8,;4.92,6.25,;3.41,6.55,;2.4,5.39,;2.9,3.93,;5.93,7.41,;7.47,7.41,;7.95,8.88,;6.7,9.78,;5.46,8.88,;-.01,1.03,;.9,-.21,;-1.54,.87,;-2.45,-.38,;-1.95,-1.83,;-.45,-2.18,;.07,-3.63,;1.57,-3.98,;2.09,-5.43,;3.61,-5.69,;4.14,-7.14,;5.63,-7.51,;3.15,-8.32,;3.64,-9.78,;1.63,-8.06,;.62,-9.22,;1.1,-6.61,;-3.91,.1,;-5.25,-.67,;-6.58,.1,;-6.58,1.64,;-7.95,2.35,;-5.25,2.41,;-5.2,3.95,;-6.45,4.86,;-7.89,4.31,;-5.97,6.32,;-4.43,6.32,;-3.47,7.53,;-3.95,4.86,;-2.49,4.37,;-3.91,1.64,;-2.45,2.12,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nc(C)no2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.79,4.58,;-.79,3.04,;.74,3.2,;1.64,1.95,;3.17,2.12,;4.2,.98,;5.61,1.6,;6.94,.83,;5.45,3.13,;6.48,4.28,;6,5.74,;4.5,6.06,;3.47,4.92,;3.94,3.45,;4.03,7.53,;2.56,8.01,;2.56,9.55,;1.23,10.32,;4.03,10.02,;4.93,8.78,;1.02,.54,;1.93,-.69,;-.52,.38,;-1.42,-.86,;-.97,-2.33,;.53,-2.71,;.98,-4.18,;2.48,-4.51,;3,-5.96,;2.01,-7.14,;2.53,-8.59,;1.56,-9.78,;4.05,-8.86,;4.55,-10.32,;5.04,-7.68,;6.54,-8.02,;4.52,-6.24,;-2.89,-.39,;-4.22,-1.16,;-5.55,-.39,;-5.55,1.15,;-6.94,1.82,;-4.22,1.92,;-4.17,3.46,;-5.41,4.37,;-6.84,3.8,;-4.94,5.83,;-3.4,5.83,;-2.52,7.1,;-2.92,4.37,;-1.46,3.88,;-2.89,1.15,;-1.42,1.63,)|
CC1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-1.55,5.19,;-.78,3.85,;.78,4,;1.68,2.75,;3.23,2.9,;4.28,1.85,;5.68,2.4,;7.03,1.6,;5.53,3.95,;6.53,5.05,;6.08,6.55,;4.53,6.9,;3.53,5.75,;3.98,4.3,;4.08,8.35,;5.13,9.5,;2.58,8.7,;1.08,1.35,;1.98,.1,;-.48,1.2,;-1.43,-.1,;-.93,-1.5,;.58,-1.9,;1.08,-3.3,;2.58,-3.65,;3.03,-5.05,;4.58,-5.45,;5.03,-6.85,;6.58,-7.2,;3.98,-8.05,;4.48,-9.5,;2.53,-7.7,;1.48,-8.9,;2.08,-6.2,;-2.93,.45,;-4.23,-.3,;-5.53,.4,;-5.58,1.95,;-7.03,2.75,;-4.23,2.7,;-4.23,4.24,;-5.47,5.15,;-6.81,4.38,;-5,6.61,;-3.46,6.61,;-2.69,7.94,;-2.98,5.15,;-1.65,4.38,;-2.88,2,;-1.38,2.45,)|
C[C@@H]1CN(c2coc3ccccc23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.72,6.19,;-.66,4.65,;.87,4.81,;1.77,3.57,;3.31,3.71,;4.35,2.59,;5.75,3.23,;5.57,4.76,;6.58,5.92,;6.08,7.38,;4.57,7.68,;3.56,6.52,;4.05,5.06,;1.15,2.16,;2.06,.92,;-.39,2,;-1.29,.75,;-.79,-.7,;.71,-1.05,;1.23,-2.5,;2.73,-2.85,;3.25,-4.3,;4.76,-4.57,;5.3,-6.01,;6.79,-6.38,;4.31,-7.19,;4.8,-8.66,;2.79,-6.93,;1.78,-8.09,;2.26,-5.49,;-2.76,1.23,;-4.09,.46,;-5.42,1.23,;-5.42,2.77,;-6.79,3.48,;-4.09,3.54,;-4.04,5.08,;-5.29,5.98,;-6.73,5.44,;-4.81,7.45,;-3.27,7.45,;-2.31,8.66,;-2.79,5.98,;-1.33,5.5,;-2.76,2.77,;-1.29,3.24,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.79,4.5,;-.79,2.96,;.74,3.12,;1.64,1.88,;3.17,2.05,;4.2,.9,;5.61,1.53,;6.94,.75,;5.45,3.06,;6.48,4.21,;6,5.67,;4.5,5.99,;3.47,4.85,;3.94,3.38,;4.03,7.46,;5.06,8.6,;4.59,10.06,;3.09,10.39,;2.05,9.25,;2.52,7.78,;1.02,.47,;1.93,-.77,;-.52,.31,;-1.42,-.94,;-.97,-2.41,;.53,-2.78,;.98,-4.25,;2.48,-4.59,;3,-6.04,;2.01,-7.21,;2.53,-8.66,;1.56,-9.85,;4.05,-8.93,;4.55,-10.39,;5.04,-7.76,;6.54,-8.09,;4.52,-6.31,;-2.89,-.46,;-4.22,-1.23,;-5.55,-.46,;-5.55,1.08,;-6.94,1.75,;-4.22,1.85,;-4.17,3.39,;-5.41,4.29,;-6.84,3.72,;-4.94,5.76,;-3.4,5.76,;-2.52,7.02,;-2.92,4.29,;-1.46,3.81,;-2.89,1.08,;-1.42,1.56,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.24,5.33,;-.47,4,;1.06,4.05,;1.83,2.72,;1.06,1.38,;1.97,.14,;-.48,1.38,;-1.24,.25,;-.75,-1.21,;.75,-1.55,;1.2,-3.02,;2.71,-3.32,;3.17,-4.79,;4.69,-5.06,;5.22,-6.5,;6.72,-6.84,;4.23,-7.68,;4.75,-9.14,;2.72,-7.42,;1.75,-8.63,;2.18,-5.98,;-2.71,.73,;-4.04,-.04,;-5.37,.73,;-5.37,2.27,;-6.72,3.01,;-4.04,3.04,;-4.04,5.9,;-5.37,6.67,;-6.71,5.9,;-5.37,8.21,;-4.04,8.98,;-2.71,8.21,;-2.71,6.67,;-1.37,5.9,;-2.71,2.27,;-1.25,2.72,;3.36,2.87,;4.26,1.62,;5.79,1.77,;6.43,3.17,;5.53,4.42,;5.86,5.93,;4.53,6.7,;4.37,8.24,;2.97,8.87,;5.62,9.14,;3.38,5.68,;1.87,6.01,;4,4.27,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nc(C)no2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12 |r,wD:1.0,(-.86,4.52,;-.81,2.98,;.72,3.14,;1.62,1.89,;3.15,2.09,;4.18,.94,;5.59,1.57,;6.94,.82,;5.43,3.1,;6.46,4.24,;5.98,5.71,;4.48,6.03,;3.45,4.88,;3.92,3.42,;4,7.49,;2.54,7.97,;2.54,9.51,;1.2,10.28,;4,9.99,;4.91,8.74,;1,.49,;1.92,-.75,;-.53,.33,;-1.44,-.92,;-.95,-2.38,;.55,-2.71,;1.03,-4.17,;2.54,-4.46,;3.05,-5.91,;4.56,-6.21,;5.06,-7.67,;6.55,-8.03,;4.04,-8.83,;4.55,-10.28,;2.53,-8.52,;1.54,-9.7,;2.04,-7.07,;-2.9,-.44,;-4.24,-1.21,;-5.57,-.44,;-5.57,1.1,;-6.94,1.8,;-4.24,1.87,;-4.24,3.41,;-5.57,4.18,;-6.9,3.41,;-5.57,5.72,;-4.24,6.49,;-2.9,5.72,;-2.9,4.18,;-1.57,3.41,;-2.9,1.1,;-1.44,1.57,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2c(cn(C)c2c1)C(O)=O |r,wD:1.0,(-2.49,6.16,;-2.49,4.62,;-.96,4.78,;-.05,3.54,;-.68,2.13,;.22,.88,;-2.21,1.97,;-3.12,.72,;-2.64,-.74,;-1.14,-1.1,;-.67,-2.56,;.83,-2.91,;1.29,-4.38,;.3,-5.56,;.82,-7.01,;-.15,-8.2,;2.34,-7.28,;2.79,-8.75,;3.33,-6.1,;4.83,-6.44,;2.8,-4.65,;-4.58,1.2,;-5.91,.43,;-7.25,1.2,;-7.25,2.74,;-8.61,3.46,;-5.91,3.51,;-5.91,5.05,;-7.16,5.95,;-8.6,5.4,;-6.68,7.42,;-5.14,7.42,;-4.37,8.75,;-4.67,5.95,;-3.2,5.48,;-4.58,2.74,;-3.12,3.21,;1.48,3.67,;2.1,5.08,;3.63,5.25,;4.54,4.01,;6.08,3.86,;6.4,2.35,;5.07,1.57,;4.92,.04,;3.92,2.6,;2.39,2.43,;7.1,5.01,;8.61,4.69,;6.62,6.47,)|
COc1cc(nc2c(cccc12)N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O)C(O)=O |r,wD:14.16,(7.55,7.32,;6.87,5.94,;5.33,5.84,;4.44,7.09,;2.91,6.94,;2.27,5.54,;3.16,4.29,;2.52,2.89,;3.42,1.63,;4.95,1.78,;5.59,3.18,;4.69,4.44,;.99,2.74,;.09,3.98,;-1.45,3.82,;-1.45,5.36,;-2.07,2.42,;-1.17,1.17,;-2.07,-.08,;-1.55,-1.53,;-.07,-1.92,;.42,-3.38,;1.91,-3.78,;2.38,-5.25,;3.9,-5.5,;4.44,-6.95,;5.94,-7.28,;3.46,-8.13,;3.96,-9.59,;1.94,-7.88,;1.01,-9.1,;1.4,-6.43,;-3.54,.4,;-4.87,-.37,;-6.2,.4,;-6.2,1.94,;-7.55,2.68,;-4.87,2.71,;-4.82,4.25,;-6.07,5.15,;-7.52,4.64,;-5.59,6.62,;-4.05,6.62,;-3.15,7.87,;-3.58,5.15,;-2.12,4.65,;-3.54,1.94,;.36,1.33,;1.26,.08,;1.97,8.17,;.45,7.98,;2.57,9.59,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCN(C)CC5)nc4C)c3n12 |r,wD:1.0,(.45,4.11,;.5,2.57,;2.04,2.73,;2.94,1.48,;4.47,1.67,;5.5,.53,;6.91,1.15,;8.25,.41,;6.75,2.69,;7.78,3.83,;7.3,5.29,;5.79,5.61,;4.76,4.47,;5.24,3.01,;5.32,7.08,;3.81,7.4,;6.35,8.22,;2.31,.07,;3.23,-1.16,;.78,-.09,;-.12,-1.33,;.37,-2.79,;1.87,-3.12,;2.34,-4.59,;3.86,-4.87,;4.37,-6.32,;5.88,-6.63,;6.37,-8.09,;7.87,-8.45,;5.36,-9.24,;5.87,-10.69,;3.85,-8.94,;2.86,-10.12,;3.35,-7.48,;-1.59,-.86,;-2.92,-1.63,;-4.25,-.86,;-4.25,.68,;-5.62,1.39,;-2.92,1.45,;-2.92,2.99,;-4.25,3.76,;-5.59,2.99,;-4.25,5.3,;-2.92,6.07,;-2.92,7.61,;-4.25,8.38,;-4.25,9.92,;-5.59,10.69,;-6.92,9.92,;-8.25,10.69,;-6.92,8.38,;-5.59,7.61,;-1.59,5.3,;-1.59,3.76,;-.25,2.99,;-1.59,.68,;-.12,1.16,)|
CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O
C[C@@H]1CN(c2cn(CCC3CCOCC3)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.86,5.37,;-2.81,3.83,;-1.28,3.99,;-.37,2.75,;1.16,2.89,;2.21,1.77,;3.6,2.41,;4.94,1.64,;4.94,.1,;6.27,-.67,;6.27,-2.21,;7.6,-2.98,;8.94,-2.21,;8.94,-.67,;7.6,.1,;3.42,3.94,;4.43,5.1,;3.93,6.56,;2.42,6.86,;1.41,5.7,;1.91,4.24,;1.92,8.31,;.41,8.61,;2.93,9.48,;-1,1.34,;-.09,.1,;-2.53,1.18,;-3.44,-.07,;-2.94,-1.52,;-1.44,-1.87,;-.92,-3.32,;.58,-3.67,;1.1,-5.12,;2.62,-5.39,;3.15,-6.83,;4.64,-7.2,;2.16,-8.01,;2.65,-9.48,;.65,-7.75,;-.37,-8.91,;.11,-6.31,;-4.9,.41,;-6.24,-.36,;-7.57,.41,;-7.57,1.95,;-8.94,2.66,;-6.24,2.72,;-6.19,4.26,;-7.43,5.16,;-8.87,4.62,;-6.96,6.63,;-5.42,6.63,;-4.46,7.84,;-4.94,5.16,;-3.48,4.68,;-4.9,1.95,;-3.44,2.42,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCC(O)C5)nc4C)c3n12 |r,wD:1.0,(.4,4.25,;.45,2.72,;1.98,2.88,;2.89,1.63,;4.42,1.82,;5.45,.68,;6.85,1.3,;8.2,.56,;6.69,2.83,;7.72,3.98,;7.25,5.44,;5.74,5.76,;4.71,4.62,;5.19,3.16,;5.26,7.23,;3.76,7.55,;6.3,8.37,;2.26,.22,;3.18,-1.01,;.73,.06,;-.18,-1.18,;.31,-2.64,;1.82,-2.97,;2.29,-4.44,;3.8,-4.72,;4.32,-6.17,;5.83,-6.48,;6.32,-7.94,;7.82,-8.3,;5.3,-9.09,;5.82,-10.54,;3.79,-8.79,;2.8,-9.97,;3.3,-7.33,;-1.64,-.71,;-2.97,-1.48,;-4.31,-.71,;-4.31,.83,;-5.68,1.54,;-2.97,1.6,;-2.97,3.14,;-4.31,3.91,;-5.64,3.14,;-4.31,5.45,;-2.97,6.22,;-2.97,7.76,;-4.31,8.53,;-4.29,10.07,;-5.76,10.54,;-6.66,9.3,;-8.2,9.3,;-5.76,8.05,;-1.64,5.45,;-1.64,3.91,;-.31,3.14,;-1.64,.83,;-.18,1.31,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc2c(cn(C)c2c1)C(O)=O |(-3.21,5.67,;-4.73,6.16,;-5.18,7.59,;-6.74,7.59,;-7.59,8.84,;-7.28,6.12,;-8.66,5.58,;-5.98,5.22,;-5.98,3.66,;-7.28,2.9,;-8.75,3.66,;-7.28,1.38,;-5.94,.63,;-4.69,1.38,;-3.17,.89,;-2.68,-.54,;-1.16,-1.03,;-.8,-2.46,;.71,-2.9,;1.07,-4.33,;.09,-5.4,;.4,-6.87,;-.67,-8.08,;1.87,-7.37,;2.28,-8.84,;2.95,-6.25,;4.51,-6.65,;2.59,-4.78,;-2.28,2.19,;-.71,2.05,;-.09,.63,;.31,3.21,;.04,4.73,;-1.34,5.45,;-2.72,4.87,;-3.17,3.39,;-4.64,2.9,;1.79,2.81,;2.19,1.34,;3.66,.94,;4.73,2.01,;6.3,1.96,;6.87,3.48,;5.67,4.46,;5.76,5.98,;4.37,3.44,;2.86,3.84,;7.14,.76,;6.43,-.71,;8.75,.85,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ccccc3)c12 |r,wD:1.0,(-.5,5.27,;-.65,3.74,;.88,3.9,;1.79,2.65,;1.16,1.25,;2.07,0,;-.37,1.09,;-1.27,-.16,;-.76,-1.61,;.74,-2,;1.19,-3.47,;2.69,-3.81,;3.17,-5.27,;4.69,-5.5,;5.25,-6.94,;6.75,-7.27,;4.29,-8.14,;4.77,-9.6,;2.76,-7.91,;1.73,-9.05,;2.2,-6.47,;-2.74,.32,;-4.07,-.45,;-5.4,.32,;-5.4,1.86,;-6.75,2.6,;-4.07,2.63,;-4.02,4.16,;-5.27,5.07,;-6.71,4.52,;-4.79,6.53,;-3.25,6.53,;-2.35,7.78,;-2.78,5.07,;-1.31,4.6,;-2.74,1.86,;-1.27,2.33,;3.32,2.8,;4.21,1.55,;5.75,1.69,;6.39,3.09,;5.5,4.35,;5.84,5.85,;4.51,6.63,;4.36,8.17,;2.96,8.8,;5.63,9.04,;3.35,5.61,;1.85,5.95,;.76,7.04,;1.12,8.54,;.01,9.6,;-1.47,9.17,;-1.83,7.67,;-.71,6.61,;3.97,4.2,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(C)ncc12)C(O)=O |r,wD:1.0,(-1.41,6.2,;-1.36,4.66,;.17,4.83,;1.07,3.58,;.45,2.17,;1.35,.93,;-1.09,2.01,;-1.99,.77,;-1.49,-.69,;.01,-1.04,;.47,-2.51,;1.97,-2.87,;2.43,-4.34,;3.94,-4.61,;4.46,-6.07,;5.96,-6.42,;3.46,-7.24,;3.96,-8.69,;1.94,-6.96,;.99,-8.17,;1.43,-5.51,;-3.46,1.24,;-4.79,.47,;-6.12,1.24,;-6.12,2.78,;-7.48,3.5,;-4.79,3.55,;-4.79,5.09,;-6.04,6,;-7.47,5.44,;-5.56,7.46,;-4.02,7.46,;-3.1,8.69,;-3.54,6,;-2.08,5.52,;-3.46,2.78,;-1.99,3.26,;2.61,3.72,;3.51,2.47,;5.04,2.63,;5.67,4.04,;4.76,5.29,;5.08,6.79,;6.49,7.42,;3.74,7.56,;2.6,6.53,;3.23,5.12,;5.95,1.39,;5.33,-.02,;7.48,1.55,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CN2CCCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.72,5.51,;-.72,3.97,;.81,4.13,;1.72,2.88,;1.09,1.48,;2.01,.24,;-.44,1.32,;-1.35,.07,;-.89,-1.4,;.6,-1.77,;1.05,-3.25,;2.56,-3.58,;3.08,-5.03,;2.09,-6.21,;2.61,-7.65,;1.63,-8.85,;4.12,-7.93,;4.63,-9.38,;5.12,-6.75,;6.62,-7.08,;4.6,-5.3,;-2.81,.55,;-4.14,-.22,;-5.48,.55,;-5.48,2.09,;-6.86,2.76,;-4.14,2.86,;-4.14,4.4,;-5.39,5.3,;-6.82,4.73,;-4.91,6.77,;-3.37,6.77,;-2.6,8.1,;-2.9,5.3,;-1.44,4.82,;-2.81,2.09,;-1.35,2.56,;3.25,3.05,;4.19,1.82,;5.71,2.02,;6.65,.8,;6.06,-.62,;4.56,-.98,;4.44,-2.51,;5.86,-3.1,;6.86,-1.93,;6.3,3.45,;5.37,4.67,;5.65,6.18,;4.29,6.92,;4.09,8.45,;5.32,9.38,;2.67,9.04,;3.18,5.86,;1.66,6.14,;3.84,4.47,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3cccnc3)c12 |r,wD:1.0,(-.65,5.28,;-.65,3.74,;.88,3.9,;1.79,2.65,;1.16,1.25,;2.07,0,;-.37,1.09,;-1.27,-.16,;-.76,-1.61,;.74,-2,;1.19,-3.47,;2.69,-3.81,;3.17,-5.27,;4.69,-5.5,;5.25,-6.94,;6.75,-7.27,;4.29,-8.14,;4.77,-9.6,;2.76,-7.91,;1.73,-9.05,;2.2,-6.47,;-2.74,.32,;-4.07,-.45,;-5.4,.32,;-5.4,1.86,;-6.75,2.6,;-4.07,2.63,;-4.02,4.16,;-5.27,5.07,;-6.71,4.52,;-4.79,6.53,;-3.25,6.53,;-2.35,7.78,;-2.78,5.07,;-1.31,4.6,;-2.74,1.86,;-1.27,2.33,;3.32,2.8,;4.21,1.55,;5.75,1.69,;6.39,3.09,;5.5,4.35,;5.84,5.85,;4.51,6.63,;4.36,8.17,;2.96,8.8,;5.63,9.04,;3.35,5.61,;1.85,5.95,;.76,7.04,;-.71,6.61,;-1.83,7.67,;-1.47,9.17,;.01,9.6,;1.12,8.54,;3.97,4.2,)|
C[C@@H]1CN(c2cn(CCN3CCOCC3)c3cc(ccc23)C(N)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.8,5.56,;-2.8,4.02,;-1.27,4.18,;-.36,2.93,;1.17,3.1,;2.2,1.96,;3.61,2.58,;4.94,1.81,;4.94,.27,;6.28,-.5,;6.28,-2.04,;7.61,-2.81,;8.94,-2.04,;8.94,-.5,;7.61,.27,;3.45,4.12,;4.48,5.26,;4,6.73,;2.5,7.05,;1.46,5.9,;1.94,4.44,;5.03,7.87,;4.56,9.33,;6.54,7.55,;-.99,1.53,;-.07,.29,;-2.52,1.36,;-3.42,.12,;-2.97,-1.35,;-1.48,-1.73,;-1.02,-3.2,;.48,-3.53,;1,-4.98,;.01,-6.16,;.53,-7.61,;-.45,-8.8,;2.04,-7.88,;2.55,-9.33,;3.04,-6.7,;4.54,-7.04,;2.52,-5.25,;-4.89,.59,;-6.22,-.18,;-7.56,.59,;-7.56,2.13,;-8.94,2.8,;-6.22,2.9,;-6.17,4.44,;-7.41,5.35,;-8.84,4.78,;-6.94,6.81,;-5.4,6.81,;-4.52,8.08,;-4.92,5.35,;-3.46,4.86,;-4.89,2.13,;-3.42,2.61,)|
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C[C@@H]1CN(c2coc3ccccc23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.66,6.16,;-.66,4.62,;.87,4.78,;1.77,3.53,;3.31,3.67,;4.34,2.52,;5.74,3.15,;5.58,4.68,;6.61,5.82,;6.14,7.29,;4.63,7.61,;3.6,6.46,;4.08,5,;1.15,2.12,;2.07,.89,;-.38,1.96,;-1.29,.72,;-.75,-.72,;.75,-1.08,;1.24,-2.54,;2.74,-2.86,;3.24,-4.31,;4.76,-4.59,;5.28,-6.04,;6.79,-6.34,;4.29,-7.21,;4.8,-8.67,;2.77,-6.94,;1.75,-8.09,;2.25,-5.49,;-2.75,1.19,;-4.09,.42,;-5.42,1.19,;-5.42,2.73,;-6.79,3.44,;-4.09,3.5,;-4.04,5.04,;-5.29,5.95,;-6.73,5.39,;-4.81,7.41,;-3.27,7.41,;-2.38,8.67,;-2.8,5.95,;-1.33,5.47,;-2.75,2.73,;-1.29,3.21,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.58,;-.8,3.04,;.74,3.2,;1.64,1.95,;3.17,2.12,;4.2,.98,;5.61,1.6,;6.94,.83,;5.45,3.14,;6.48,4.28,;6,5.74,;4.5,6.06,;3.47,4.92,;3.94,3.46,;4.02,7.53,;4.93,8.78,;4.02,10.02,;2.56,9.55,;1.22,10.32,;2.56,8.01,;1.01,.55,;1.93,-.69,;-.52,.38,;-1.42,-.86,;-.97,-2.33,;.52,-2.71,;.98,-4.18,;2.48,-4.51,;3,-5.96,;2.01,-7.14,;2.53,-8.59,;1.55,-9.78,;4.05,-8.86,;4.55,-10.32,;5.04,-7.68,;6.54,-8.02,;4.52,-6.23,;-2.89,-.39,;-4.22,-1.16,;-5.55,-.39,;-5.55,1.15,;-6.94,1.82,;-4.22,1.92,;-4.22,3.46,;-5.47,4.37,;-6.9,3.8,;-4.99,5.83,;-3.45,5.83,;-2.57,7.1,;-2.98,4.37,;-1.51,3.88,;-2.89,1.15,;-1.42,1.63,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOCC3CC3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.57,;-.8,3.03,;.74,3.19,;1.64,1.94,;3.17,2.11,;4.2,.97,;5.61,1.59,;6.94,.82,;5.45,3.13,;6.48,4.27,;6,5.73,;4.5,6.05,;3.47,4.91,;3.94,3.45,;4.02,7.52,;2.51,7.84,;5.05,8.66,;1.01,.54,;1.93,-.7,;-.52,.37,;-1.42,-.87,;-.97,-2.34,;.52,-2.72,;.98,-4.19,;2.48,-4.52,;3,-5.97,;2.01,-7.15,;.56,-7.67,;1.74,-8.66,;-2.89,-.4,;-4.22,-1.17,;-5.55,-.4,;-5.55,1.14,;-6.94,1.81,;-4.22,1.91,;-4.22,3.45,;-5.47,4.36,;-6.9,3.79,;-4.99,5.82,;-3.45,5.82,;-2.57,7.09,;-2.98,4.36,;-1.51,3.87,;-2.89,1.14,;-1.42,1.62,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(7.6,-25.05,;8.51,-26.3,;10.05,-26.14,;10.96,-27.38,;12.49,-27.38,;13.4,-26.13,;14.86,-26.6,;16.1,-25.69,;14.86,-28.13,;16.01,-29.15,;15.7,-30.65,;14.24,-31.13,;13.09,-30.11,;13.41,-28.61,;16.85,-31.67,;16.54,-33.18,;18.31,-31.18,;10.33,-28.79,;11.23,-30.04,;8.8,-28.95,;7.89,-30.2,;7.88,-31.73,;9.21,-32.52,;9.19,-34.06,;10.52,-34.84,;10.5,-36.38,;11.82,-37.15,;11.81,-38.69,;13.15,-39.47,;10.47,-39.45,;10.46,-40.99,;9.14,-38.67,;7.8,-39.43,;9.16,-37.13,;6.43,-29.72,;5.09,-30.5,;3.76,-29.73,;3.76,-28.19,;2.43,-27.42,;5.09,-27.42,;5.08,-24.52,;3.83,-23.62,;2.37,-24.1,;4.3,-22.15,;5.84,-22.15,;6.74,-20.9,;6.32,-23.61,;7.79,-24.08,;6.43,-28.18,;7.89,-27.7,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ccncc3)c12 |r,wD:1.0,(-.65,5.31,;-.65,3.77,;.88,3.93,;1.78,2.68,;1.16,1.27,;2.1,.05,;-.38,1.11,;-1.28,-.13,;-.78,-1.59,;.71,-1.98,;1.23,-3.44,;2.73,-3.79,;3.23,-5.24,;4.75,-5.5,;5.29,-6.94,;6.78,-7.31,;4.31,-8.13,;4.75,-9.6,;2.79,-7.87,;1.8,-9.05,;2.25,-6.43,;-2.74,.34,;-4.08,-.43,;-5.41,.34,;-5.41,1.88,;-6.78,2.59,;-4.08,2.65,;-4.03,4.19,;-5.28,5.1,;-6.73,4.58,;-4.8,6.56,;-3.26,6.56,;-2.38,7.83,;-2.78,5.1,;-1.32,4.61,;-2.74,1.88,;-1.28,2.36,;3.31,2.84,;4.25,1.62,;5.78,1.82,;6.37,3.24,;5.43,4.47,;5.71,5.98,;4.36,6.72,;4.16,8.24,;2.74,8.83,;5.38,9.18,;3.24,5.66,;1.73,5.94,;.64,7.03,;1.04,8.51,;-.05,9.6,;-1.54,9.2,;-1.94,7.72,;-.85,6.63,;3.9,4.27,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cccc(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.67,;-.8,3.13,;.74,3.29,;1.64,2.05,;3.17,2.22,;4.2,1.07,;5.61,1.7,;6.94,.93,;5.45,3.23,;6.48,4.37,;6,5.84,;4.5,6.16,;3.47,5.01,;3.94,3.55,;4.02,7.62,;2.51,7.94,;5.05,8.77,;1.01,.64,;1.93,-.6,;-.52,.48,;-1.42,-.77,;-.97,-2.24,;.52,-2.61,;.98,-4.09,;2.48,-4.42,;3,-5.87,;2.01,-7.05,;2.53,-8.49,;4.05,-8.77,;5.04,-7.59,;6.56,-7.86,;4.52,-6.14,;-2.89,-.29,;-4.22,-1.06,;-5.55,-.29,;-5.55,1.25,;-6.94,1.92,;-4.22,2.02,;-4.22,3.56,;-5.47,4.46,;-6.9,3.89,;-4.99,5.93,;-3.45,5.93,;-2.57,7.19,;-2.98,4.46,;-1.51,3.98,;-2.89,1.25,;-1.42,1.72,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(CCN2CCOCC2)c2cc(ccc12)C(O)=O |(-3.89,5.7,;-5.36,6.17,;-5.83,7.63,;-7.37,7.63,;-8.33,8.84,;-7.85,6.17,;-9.29,5.63,;-6.6,5.26,;-6.65,3.73,;-8,3,;-9.36,3.72,;-8.05,1.46,;-6.74,.65,;-5.38,1.38,;-3.93,.86,;-3.46,-.61,;-1.98,-1.04,;-1.56,-2.53,;-.08,-2.93,;.33,-4.42,;1.83,-4.76,;2.29,-6.23,;3.76,-6.66,;1.24,-7.36,;1.65,-8.84,;-.26,-7.02,;-1.31,-8.15,;-.72,-5.55,;-2.99,2.08,;-1.45,1.96,;-.82,.56,;-.41,3.09,;-.64,4.61,;-1.97,5.38,;-3.4,4.82,;-3.86,3.35,;-5.34,2.92,;1.1,2.77,;1.73,1.36,;3.26,1.52,;4.29,.38,;5.79,.7,;6.82,-.45,;6.35,-1.91,;7.38,-3.05,;8.89,-2.73,;9.36,-1.27,;8.33,-.13,;3.58,3.03,;4.91,3.8,;4.91,5.34,;3.58,6.11,;2.24,5.34,;2.24,3.8,;6.25,6.11,;6.25,7.65,;7.58,5.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.65,5.31,;-.65,3.77,;.88,3.93,;1.78,2.68,;1.16,1.27,;2.1,.05,;-.38,1.11,;-1.28,-.13,;-.78,-1.59,;.71,-1.98,;1.23,-3.44,;2.73,-3.79,;3.23,-5.24,;4.75,-5.5,;5.29,-6.94,;6.78,-7.31,;4.31,-8.13,;4.75,-9.6,;2.79,-7.87,;1.8,-9.05,;2.25,-6.43,;-2.74,.34,;-4.08,-.43,;-5.41,.34,;-5.41,1.88,;-6.78,2.59,;-4.08,2.65,;-4.03,4.19,;-5.28,5.1,;-6.73,4.58,;-4.8,6.56,;-3.26,6.56,;-2.38,7.83,;-2.78,5.1,;-1.32,4.61,;-2.74,1.88,;-1.28,2.36,;3.31,2.84,;4.25,1.62,;5.78,1.82,;6.37,3.24,;5.43,4.47,;5.71,5.98,;4.36,6.72,;4.16,8.24,;2.74,8.83,;5.38,9.18,;3.24,5.66,;1.73,5.94,;.64,7.03,;1.04,8.51,;-.05,9.6,;-1.54,9.2,;-1.94,7.72,;-.85,6.63,;3.9,4.27,)|
COCCCc1c2C(=O)N(C[C@@H](C)n2c2c(-c3c(C)nn(C)c3C)c(Cl)ccc12)c1cn(C)c2ccc(cc12)C(O)=O |r,wD:11.11,(3.04,-7.34,;2.59,-5.87,;1.09,-5.52,;.58,-4.07,;-.91,-3.68,;-1.44,-2.24,;-.53,-.99,;1,-.83,;1.91,-2.07,;1.63,.58,;.72,1.82,;-.81,1.66,;-.85,3.2,;-1.44,.26,;-2.9,-.22,;-4.23,.55,;-4.2,2.09,;-5.44,3,;-6.91,2.52,;-4.97,4.46,;-3.43,4.46,;-2.52,5.71,;-2.95,3,;-1.48,2.54,;-5.57,-.22,;-6.93,.5,;-5.57,-1.76,;-4.23,-2.53,;-2.9,-1.76,;3.16,.77,;4.19,-.38,;5.59,.25,;6.93,-.51,;5.43,1.78,;6.46,2.93,;5.99,4.39,;4.48,4.71,;3.45,3.57,;3.93,2.1,;4.01,6.18,;2.5,6.5,;5.02,7.34,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2n(C)cc(C(O)=O)c12 |r,wD:1.0,(-1.79,5.48,;-.88,4.24,;.65,4.4,;1.56,3.15,;.93,1.74,;1.85,.51,;-.6,1.58,;-1.51,.34,;-1.02,-1.12,;.47,-1.5,;.96,-2.96,;2.47,-3.29,;2.94,-4.75,;4.46,-4.99,;5.01,-6.43,;6.52,-6.75,;4.05,-7.63,;4.56,-9.08,;2.52,-7.39,;1.59,-8.61,;1.97,-5.95,;-2.97,.81,;-4.3,.04,;-5.64,.81,;-5.64,2.35,;-7.01,3.06,;-4.3,3.12,;-4.26,6,;-5.59,6.77,;-6.92,6,;-5.59,8.31,;-4.26,9.08,;-2.92,8.31,;-2.92,6.77,;-1.57,6.04,;-2.97,2.35,;-1.51,2.83,;3.09,3.29,;3.98,2.03,;5.51,2.17,;6.16,3.57,;5.27,4.83,;5.61,6.33,;7.01,6.98,;4.29,7.12,;3.13,6.1,;1.64,6.49,;1.23,7.97,;.56,5.39,;3.74,4.69,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccnc2c(cccc12)C(O)=O |r,wD:1.0,(-1.57,6.19,;-1.52,4.65,;.01,4.81,;.92,3.57,;.29,2.16,;1.2,.92,;-1.24,2,;-2.14,.75,;-1.64,-.7,;-.14,-1.05,;.38,-2.5,;1.88,-2.85,;2.39,-4.3,;3.91,-4.57,;4.44,-6.01,;5.94,-6.38,;3.46,-7.19,;3.94,-8.66,;1.94,-6.93,;.93,-8.09,;1.41,-5.49,;-3.61,1.23,;-4.94,.46,;-6.28,1.23,;-6.28,2.77,;-7.64,3.48,;-4.94,3.54,;-4.89,5.08,;-6.14,5.98,;-7.58,5.44,;-5.66,7.45,;-4.12,7.45,;-3.17,8.66,;-3.65,5.98,;-2.19,5.5,;-3.61,2.77,;-2.14,3.24,;2.45,3.71,;3.38,2.48,;4.91,2.67,;5.51,4.08,;4.59,5.32,;5.19,6.73,;4.27,7.96,;2.74,7.78,;2.13,6.36,;3.06,5.13,;6.72,6.92,;7.32,8.33,;7.64,5.69,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3ccc(F)cc3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,5.4,;-.8,3.86,;.73,4.02,;1.64,2.78,;3.17,2.97,;4.2,1.82,;5.6,2.45,;6.94,1.69,;5.44,3.98,;6.47,5.13,;6,6.59,;4.49,6.91,;3.46,5.77,;3.94,4.3,;4.01,8.37,;2.5,8.69,;5.05,9.51,;1.01,1.37,;1.96,.16,;-.52,1.21,;-1.42,-.04,;-.94,-1.5,;.55,-1.88,;1.04,-3.34,;2.55,-3.67,;3.05,-5.13,;4.56,-5.43,;5.06,-6.88,;4.04,-8.04,;4.51,-9.51,;2.53,-7.74,;2.03,-6.29,;-2.89,.44,;-4.22,-.33,;-5.56,.44,;-5.56,1.98,;-6.94,2.65,;-4.22,2.75,;-4.22,4.29,;-5.47,5.2,;-6.91,4.65,;-4.99,6.66,;-3.45,6.66,;-2.54,7.9,;-2.98,5.2,;-1.51,4.74,;-2.89,1.98,;-1.42,2.46,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ccn(CCN3CCOCC3)c2c1 |r,wD:1.0,(-1.38,3.72,;-1.38,2.18,;.15,2.34,;1.06,1.1,;.43,-.31,;1.35,-1.54,;-1.1,-.47,;-2.01,-1.71,;-1.53,-3.18,;-.04,-3.54,;.44,-5.01,;1.94,-5.32,;2.36,-6.8,;3.88,-7.06,;4.41,-8.51,;5.92,-8.82,;3.42,-9.69,;3.93,-11.15,;1.91,-9.43,;.94,-10.63,;1.38,-7.98,;-3.47,-1.24,;-4.8,-2.01,;-6.14,-1.24,;-6.14,.3,;-7.49,1.04,;-4.8,1.07,;-4.8,2.61,;-6.05,3.52,;-7.52,3.04,;-5.57,4.98,;-4.03,4.98,;-3.14,6.23,;-3.56,3.52,;-2.09,3.07,;-3.47,.3,;-2.01,.78,;2.59,1.26,;3.53,.04,;5.05,.24,;5.99,-.98,;5.4,-2.41,;7.52,-.78,;5.64,1.66,;7.09,2.17,;7.09,3.71,;5.64,4.15,;5.16,5.61,;6.18,6.76,;5.69,8.23,;6.72,9.38,;6.23,10.84,;4.72,11.15,;3.7,10,;4.18,8.54,;4.7,2.88,;3.18,2.68,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(CC3CC3)c12 |r,wD:1.0,(-.63,5.55,;-.63,4.01,;.9,4.17,;1.8,2.92,;1.18,1.51,;2.09,.28,;-.35,1.35,;-1.26,.11,;-.77,-1.35,;.72,-1.73,;1.21,-3.19,;2.71,-3.52,;3.19,-4.98,;4.71,-5.22,;5.26,-6.66,;6.77,-6.98,;4.29,-7.86,;4.81,-9.31,;2.77,-7.62,;1.83,-8.84,;2.22,-6.18,;-2.72,.58,;-4.06,-.19,;-5.39,.58,;-5.39,2.12,;-6.76,2.83,;-4.06,2.89,;-4.06,4.43,;-5.3,5.34,;-6.77,4.86,;-4.83,6.8,;-3.29,6.8,;-2.52,8.14,;-2.81,5.34,;-1.35,4.86,;-2.72,2.12,;-1.26,2.6,;3.34,3.06,;4.23,1.8,;5.76,1.94,;6.41,3.34,;5.52,4.6,;5.86,6.1,;4.54,6.89,;4.4,8.42,;3,9.07,;5.66,9.31,;3.38,5.87,;1.89,6.26,;1.12,7.59,;1.12,9.13,;-.22,8.36,;3.98,4.46,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(C(N)=O)c(C)c12 |r,wD:8.8,(7.83,2.44,;6.87,3.65,;5.34,3.45,;4.75,2.02,;3.22,1.82,;2.29,3.05,;.75,2.88,;-.15,4.13,;-1.68,3.97,;-1.68,5.51,;-2.31,2.56,;-1.4,1.32,;-2.31,.07,;-1.86,-1.4,;-.36,-1.77,;.09,-3.25,;1.59,-3.58,;2.12,-5.03,;1.12,-6.21,;1.64,-7.65,;.67,-8.85,;3.16,-7.93,;3.66,-9.38,;4.15,-6.75,;5.66,-7.08,;3.63,-5.3,;-3.77,.55,;-5.11,-.22,;-6.44,.55,;-6.44,2.09,;-7.83,2.76,;-5.11,2.86,;-5.11,4.4,;-6.35,5.3,;-7.78,4.73,;-5.88,6.77,;-4.34,6.77,;-3.57,8.1,;-3.86,5.3,;-2.4,4.82,;-3.77,2.09,;.13,1.48,;1.04,.24,;2.88,4.47,;2.21,5.86,;.7,6.14,;3.33,6.92,;3.13,8.45,;4.35,9.38,;1.71,9.04,;4.68,6.18,;6.07,6.85,;4.4,4.67,)|
Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2cnn(C)c2c1 |(-2.3,6.31,;-3.77,6.77,;-4.25,8.24,;-5.79,8.24,;-6.26,6.77,;-7.71,6.24,;-5.02,5.87,;-5.06,4.33,;-6.39,3.56,;-7.76,4.26,;-6.39,2.02,;-5.06,1.25,;-3.73,2.02,;-2.26,1.54,;-1.76,.08,;-.28,-.34,;.07,-1.84,;1.55,-2.27,;2,-3.75,;3.46,-4.22,;3.78,-5.73,;5.27,-6.11,;2.64,-6.76,;3.07,-8.24,;1.17,-6.28,;.13,-7.41,;.85,-4.78,;-1.36,2.79,;.18,2.72,;.77,1.29,;1.19,3.88,;.92,5.39,;-.44,6.12,;-1.85,5.52,;-2.26,4.03,;-3.73,3.56,;2.68,3.47,;3.02,1.97,;4.49,1.51,;4.84,.01,;3.73,-1.06,;6.32,-.41,;5.62,2.56,;7.15,2.41,;7.76,3.83,;6.61,4.85,;6.56,6.38,;5.28,4.06,;3.81,4.52,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cccc(C(O)=O)c12 |r,wD:1.0,(-1.51,5.42,;-.6,4.17,;.93,4.33,;1.83,3.08,;1.21,1.68,;2.15,.46,;-.33,1.52,;-1.23,.27,;-.76,-1.2,;.75,-1.51,;1.22,-2.98,;2.73,-3.31,;3.2,-4.77,;4.71,-5.05,;5.23,-6.5,;6.73,-6.86,;4.24,-7.67,;4.75,-9.12,;2.72,-7.4,;1.73,-8.58,;2.2,-5.95,;-2.7,.75,;-4.03,-.02,;-5.36,.75,;-5.36,2.29,;-6.73,2.99,;-4.03,3.06,;-4.02,6.04,;-5.36,6.81,;-6.69,6.04,;-5.36,8.35,;-4.02,9.12,;-2.69,8.35,;-2.69,6.81,;-1.36,6.04,;-2.7,2.29,;-1.23,2.76,;3.36,3.25,;4.3,2.02,;5.83,2.22,;6.42,3.65,;5.48,4.87,;6.07,6.29,;5.13,7.51,;3.61,7.31,;3.02,5.89,;1.53,6.29,;1.13,7.78,;.44,5.2,;3.95,4.67,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc12)C(N)=O |r,wD:8.8,(7.83,2.44,;6.87,3.65,;5.34,3.45,;4.75,2.02,;3.22,1.82,;2.29,3.05,;.75,2.88,;-.15,4.13,;-1.68,3.97,;-1.68,5.51,;-2.31,2.56,;-1.4,1.32,;-2.31,.07,;-1.86,-1.4,;-.36,-1.77,;.09,-3.25,;1.59,-3.58,;2.12,-5.03,;1.12,-6.21,;1.64,-7.65,;.67,-8.85,;3.16,-7.93,;3.66,-9.38,;4.15,-6.75,;5.66,-7.08,;3.63,-5.3,;-3.77,.55,;-5.11,-.22,;-6.44,.55,;-6.44,2.09,;-7.83,2.76,;-5.11,2.86,;-5.11,4.4,;-6.35,5.3,;-7.78,4.73,;-5.88,6.77,;-4.34,6.77,;-3.57,8.1,;-3.86,5.3,;-2.4,4.82,;-3.77,2.09,;.13,1.48,;1.04,.24,;2.88,4.47,;2.21,5.86,;.7,6.14,;3.33,6.92,;4.68,6.18,;4.4,4.67,;3.13,8.45,;4.35,9.38,;1.71,9.04,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2n(CCN3CCOCC3)ccc12)C(O)=O |r,wD:1.0,(-3.53,5.77,;-3.53,4.23,;-2,4.4,;-1.09,3.15,;-1.72,1.74,;-.8,.51,;-3.25,1.58,;-4.16,.34,;-3.68,-1.13,;-2.19,-1.49,;-1.71,-2.96,;-.21,-3.27,;.21,-4.75,;1.73,-5.01,;2.26,-6.46,;3.77,-6.77,;1.27,-7.64,;1.78,-9.1,;-.24,-7.38,;-1.21,-8.58,;-.77,-5.93,;-5.62,.81,;-6.95,.04,;-8.29,.81,;-8.29,2.35,;-9.64,3.09,;-6.95,3.12,;-6.95,4.66,;-8.2,5.57,;-9.67,5.09,;-7.72,7.03,;-6.18,7.03,;-5.29,8.29,;-5.71,5.57,;-4.23,5.12,;-5.62,2.35,;-4.16,2.83,;.44,3.31,;1.38,2.09,;2.9,2.29,;3.49,3.71,;2.56,4.93,;2.84,6.45,;4.23,7.11,;5.5,6.24,;6.89,6.9,;8.15,6.03,;9.54,6.69,;9.67,8.23,;8.4,9.1,;7.01,8.44,;1.48,7.18,;.37,6.12,;1.03,4.73,;3.84,1.07,;3.25,-.36,;5.37,1.27,)|
COCCn1c(cc2cccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:14.14,(-1.19,8.93,;-.42,7.59,;1.12,7.59,;1.89,6.26,;3.38,5.87,;4.54,6.89,;5.86,6.1,;5.52,4.6,;6.41,3.34,;5.76,1.94,;4.23,1.8,;3.34,3.06,;1.8,2.92,;.9,4.17,;-.63,4.01,;-.63,5.55,;-1.26,2.6,;-.35,1.35,;-1.26,.11,;-.77,-1.35,;.72,-1.73,;1.21,-3.19,;2.71,-3.52,;3.19,-4.98,;4.71,-5.22,;5.26,-6.66,;6.77,-6.98,;4.29,-7.86,;4.81,-9.31,;2.77,-7.62,;1.83,-8.84,;2.22,-6.18,;-2.72,.58,;-4.06,-.19,;-5.39,.58,;-5.39,2.12,;-6.76,2.83,;-4.06,2.89,;-4.06,4.43,;-5.3,5.34,;-6.77,4.86,;-4.83,6.8,;-3.29,6.8,;-2.52,8.14,;-2.81,5.34,;-1.35,4.86,;-2.72,2.12,;1.18,1.51,;2.09,.28,;3.98,4.46,;4.4,8.42,;3,9.07,;5.66,9.31,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnc(o2)C2CCCCC2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,3.29,;-.8,1.75,;.73,1.91,;1.64,.67,;3.17,.86,;4.2,-.29,;5.61,.34,;6.94,-.42,;5.44,1.87,;6.47,3.02,;6,4.48,;4.49,4.8,;3.46,3.66,;3.94,2.19,;4.01,6.26,;4.91,7.51,;4.01,8.75,;2.54,8.28,;2.54,6.74,;1.29,9.18,;1.46,10.71,;.21,11.62,;-1.2,10.99,;-1.36,9.46,;-.11,8.56,;1.01,-.74,;1.96,-1.96,;-.52,-.9,;-1.42,-2.15,;-.94,-3.61,;.55,-3.99,;1.04,-5.45,;2.55,-5.78,;3.05,-7.24,;2.03,-8.4,;2.53,-9.86,;1.52,-11.01,;4.04,-10.15,;4.51,-11.62,;5.06,-9,;6.57,-9.29,;4.56,-7.54,;-2.89,-1.67,;-4.22,-2.44,;-5.56,-1.67,;-5.56,-.13,;-6.94,.54,;-4.22,.64,;-4.22,2.18,;-5.47,3.08,;-6.91,2.54,;-4.99,4.55,;-3.45,4.55,;-2.54,5.79,;-2.98,3.08,;-1.51,2.63,;-2.89,-.13,;-1.42,.35,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2nn(C)cc12)C(O)=O |r,wD:1.0,(-1.35,5.97,;-1.35,4.43,;.18,4.59,;1.08,3.34,;.46,1.94,;1.38,.71,;-1.07,1.78,;-1.98,.53,;-1.51,-.93,;-.01,-1.3,;.46,-2.76,;1.97,-3.07,;2.39,-4.56,;3.91,-4.8,;4.46,-6.24,;5.95,-6.59,;3.48,-7.43,;4,-8.89,;1.96,-7.19,;.99,-8.38,;1.41,-5.75,;-3.44,1.01,;-4.78,.24,;-6.11,1.01,;-6.11,2.55,;-7.48,3.25,;-4.78,3.32,;-4.73,4.86,;-5.98,5.76,;-7.44,5.29,;-5.5,7.23,;-3.96,7.23,;-3.07,8.48,;-3.49,5.76,;-2.03,5.27,;-3.44,2.55,;-1.98,3.02,;2.61,3.52,;3.5,2.27,;5.03,2.41,;5.68,3.8,;4.79,5.06,;5.13,6.56,;3.81,7.35,;3.67,8.89,;2.65,6.34,;3.26,4.92,;5.95,1.17,;5.34,-.24,;7.48,1.34,)|
C[C@@H]1CN(c2cn(C)c3ccc(NC(C)=O)cc23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.86,5.07,;-.81,3.53,;.72,3.7,;1.63,2.45,;3.16,2.6,;4.21,1.47,;5.6,2.12,;6.94,1.35,;5.42,3.65,;6.43,4.81,;5.93,6.26,;4.42,6.56,;3.92,8.02,;2.41,8.31,;1.91,9.77,;1.4,7.15,;3.41,5.4,;3.91,3.94,;1,1.04,;1.91,-.2,;-.53,.88,;-1.44,-.36,;-.94,-1.82,;.56,-2.17,;1.08,-3.62,;2.58,-3.97,;3.1,-5.42,;4.62,-5.68,;5.15,-7.13,;6.64,-7.5,;4.16,-8.31,;4.65,-9.77,;2.65,-8.05,;1.63,-9.21,;2.11,-6.6,;-2.9,.11,;-4.24,-.66,;-5.57,.11,;-5.57,1.65,;-6.94,2.36,;-4.24,2.42,;-4.19,3.96,;-5.43,4.87,;-6.87,4.32,;-4.96,6.33,;-3.42,6.33,;-2.46,7.54,;-2.94,4.87,;-1.48,4.38,;-2.9,1.65,;-1.44,2.13,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccnc2ccc(cc12)-c1nn[nH]n1 |r,wD:1.0,(-.66,4.81,;-.66,3.27,;.87,3.44,;1.78,2.19,;1.15,.78,;2.07,-.45,;-.38,.62,;-1.29,-.62,;-.8,-2.09,;.71,-2.41,;1.19,-3.88,;2.69,-4.21,;3.2,-5.67,;4.72,-5.91,;5.27,-7.35,;6.78,-7.68,;4.3,-8.54,;4.78,-10.01,;2.78,-8.31,;1.84,-9.53,;2.23,-6.87,;-2.75,-.15,;-4.08,-.92,;-5.42,-.15,;-5.42,1.39,;-6.78,2.12,;-4.08,2.16,;-4.08,3.7,;-5.33,4.61,;-6.77,4.06,;-4.85,6.07,;-3.31,6.07,;-2.41,7.32,;-2.84,4.61,;-1.37,4.13,;-2.75,1.39,;-1.29,1.87,;3.31,2.35,;4.25,1.13,;5.77,1.33,;6.36,2.75,;5.43,3.97,;6.02,5.4,;5.08,6.62,;3.55,6.42,;2.96,5,;3.9,3.77,;2.61,7.64,;3.09,9.1,;1.84,10.01,;.6,9.1,;1.07,7.64,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2n(C)ncc2c1 |r,wD:1.0,(-1.73,6.8,;-1.73,5.26,;-.2,5.42,;.71,4.18,;.08,2.77,;.99,1.52,;-1.45,2.61,;-2.36,1.36,;-1.59,.03,;-2.36,-1.3,;-1.59,-2.64,;-2.36,-3.97,;-1.59,-5.3,;-2.36,-6.64,;-1.59,-7.97,;-2.36,-9.31,;-.05,-7.97,;.72,-9.31,;.72,-6.64,;2.26,-6.64,;-.05,-5.3,;-3.82,1.84,;-5.15,1.07,;-6.49,1.84,;-6.49,3.38,;-7.82,4.15,;-5.15,4.15,;-5.15,5.69,;-3.91,6.59,;-2.44,6.12,;-4.38,8.06,;-5.92,8.06,;-6.83,9.31,;-6.4,6.59,;-7.86,6.12,;-3.82,3.38,;-2.36,3.86,;2.24,4.34,;2.87,5.75,;4.4,5.91,;5.02,7.31,;6.55,7.47,;4.12,8.56,;5.3,4.66,;6.83,4.5,;7.86,5.64,;7.15,2.99,;5.82,2.22,;4.68,3.25,;3.14,3.09,)|
C[C@@H]1CN(c2cn(C)c3c(cccc23)-c2nn[nH]n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.61,6.19,;-2.56,4.65,;-1.03,4.81,;-.12,3.57,;1.41,3.71,;2.46,2.59,;3.86,3.23,;5.19,2.46,;3.67,4.76,;4.68,5.92,;4.18,7.38,;2.67,7.68,;1.66,6.52,;2.16,5.06,;6.19,5.63,;6.67,4.16,;8.21,4.16,;8.69,5.63,;7.44,6.53,;-.75,2.16,;.16,.92,;-2.28,2,;-3.19,.75,;-2.68,-.7,;-1.18,-1.05,;-.67,-2.5,;.83,-2.85,;1.35,-4.3,;2.87,-4.57,;3.4,-6.01,;4.89,-6.38,;2.41,-7.19,;2.9,-8.66,;.9,-6.93,;-.12,-8.09,;.37,-5.49,;-4.65,1.23,;-5.98,.46,;-7.32,1.23,;-7.32,2.77,;-8.69,3.48,;-5.98,3.54,;-5.94,5.08,;-7.18,5.98,;-8.62,5.44,;-6.71,7.45,;-5.17,7.45,;-4.21,8.66,;-4.69,5.98,;-3.23,5.5,;-4.65,2.77,;-3.19,3.24,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(N)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.61,5.13,;-.61,3.59,;.92,3.75,;1.83,2.51,;1.2,1.1,;2.11,-.14,;-.33,.94,;-1.24,-.31,;-.79,-1.78,;.71,-2.15,;1.16,-3.63,;2.67,-3.96,;3.19,-5.41,;2.19,-6.58,;2.71,-8.03,;1.74,-9.23,;4.23,-8.31,;4.73,-9.76,;5.22,-7.13,;6.73,-7.46,;4.7,-5.68,;-2.7,.17,;-4.04,-.6,;-5.37,.17,;-5.37,1.71,;-6.76,2.38,;-4.04,2.48,;-4.04,4.02,;-5.28,4.92,;-6.71,4.35,;-4.81,6.39,;-3.27,6.39,;-2.5,7.72,;-2.79,4.92,;-1.33,4.44,;-2.7,1.71,;-1.24,2.18,;3.36,2.67,;4.29,1.44,;5.82,1.65,;6.76,.42,;6.41,3.07,;5.47,4.29,;5.75,5.8,;4.4,6.54,;4.2,8.07,;5.42,9,;2.78,8.66,;3.28,5.48,;1.77,5.76,;1,7.09,;1.77,8.43,;1,9.76,;-.54,9.76,;-1.31,8.43,;-.54,7.09,;3.95,4.09,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(Cl)cc2cc(oc12)C(O)=O |r,wD:1.0,(-.63,5.55,;-.63,4.01,;.9,4.17,;1.8,2.92,;1.18,1.51,;2.09,.28,;-.35,1.35,;-1.26,.11,;-.77,-1.35,;.72,-1.73,;1.21,-3.19,;2.71,-3.52,;3.19,-4.98,;4.71,-5.22,;5.26,-6.66,;6.77,-6.98,;4.29,-7.86,;4.81,-9.31,;2.77,-7.62,;1.83,-8.84,;2.22,-6.18,;-2.72,.58,;-4.06,-.19,;-5.39,.58,;-5.39,2.12,;-6.76,2.83,;-4.06,2.89,;-4.06,4.43,;-5.3,5.34,;-6.77,4.86,;-4.83,6.8,;-3.29,6.8,;-2.52,8.14,;-2.81,5.34,;-1.35,4.86,;-2.72,2.12,;-1.26,2.6,;3.34,3.06,;4.23,1.8,;5.76,1.94,;6.65,.68,;6.41,3.34,;5.52,4.6,;5.86,6.1,;4.54,6.89,;3.38,5.87,;3.98,4.46,;4.4,8.42,;3,9.07,;5.66,9.31,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCOCC5)nc4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(.03,4.15,;.03,2.61,;1.56,2.77,;2.46,1.53,;1.84,.12,;2.75,-1.12,;.31,-.04,;-.6,-1.29,;-.15,-2.76,;1.35,-3.13,;1.8,-4.6,;3.3,-4.94,;3.83,-6.39,;2.83,-7.56,;3.35,-9.01,;2.38,-10.2,;4.87,-9.28,;5.37,-10.74,;5.86,-8.11,;7.37,-8.44,;5.34,-6.66,;-2.06,-.81,;-3.4,-1.58,;-4.73,-.81,;-4.73,.73,;-6.12,1.4,;-3.4,1.5,;-3.4,3.04,;-4.73,3.81,;-6.06,3.04,;-4.73,5.35,;-3.4,6.12,;-3.4,7.66,;-4.73,8.43,;-4.73,9.97,;-6.06,10.74,;-7.4,9.97,;-7.4,8.43,;-6.06,7.66,;-2.06,5.35,;-2.06,3.81,;-.73,3.04,;-2.06,.73,;-.6,1.21,;4,1.69,;4.93,.47,;6.46,.67,;7.4,-.56,;7.05,2.09,;6.11,3.31,;6.39,4.83,;5.04,5.56,;4.84,7.09,;3.42,7.68,;6.06,8.02,;3.92,4.5,;2.41,4.78,;4.59,3.11,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2[nH]ccc12)C(O)=O |r,wD:1.0,(-1.35,6.17,;-1.35,4.63,;.18,4.79,;1.08,3.55,;.46,2.14,;1.38,.91,;-1.07,1.98,;-1.98,.73,;-1.51,-.73,;-.01,-1.09,;.46,-2.56,;1.97,-2.87,;2.39,-4.35,;3.91,-4.6,;4.46,-6.04,;5.95,-6.39,;3.48,-7.23,;4,-8.68,;1.96,-6.99,;.99,-8.18,;1.41,-5.55,;-3.44,1.21,;-4.78,.44,;-6.11,1.21,;-6.11,2.75,;-7.48,3.46,;-4.78,3.52,;-4.73,5.06,;-5.98,5.96,;-7.44,5.49,;-5.5,7.43,;-3.96,7.43,;-3.07,8.68,;-3.49,5.96,;-2.03,5.48,;-3.44,2.75,;-1.98,3.23,;2.61,3.73,;3.5,2.47,;5.03,2.61,;5.68,4.01,;4.79,5.27,;5.13,6.77,;3.81,7.56,;2.65,6.54,;3.26,5.13,;5.95,1.37,;5.34,-.04,;7.48,1.55,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(C)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,5.36,;-.82,3.82,;.72,3.98,;1.62,2.74,;3.15,2.93,;4.18,1.79,;5.59,2.41,;6.93,1.67,;5.43,3.95,;6.46,5.09,;5.98,6.56,;4.47,6.88,;3.44,5.73,;3.92,4.27,;3.96,8.33,;2.45,8.63,;4.95,9.5,;1,1.33,;1.87,.06,;-.54,1.17,;-1.44,-.08,;-.92,-1.53,;.58,-1.87,;1.04,-3.34,;2.54,-3.68,;3.04,-5.13,;4.56,-5.4,;5.09,-6.84,;6.58,-7.21,;4.1,-8.02,;4.54,-9.5,;2.58,-7.76,;1.57,-8.92,;2.05,-6.32,;-2.91,.4,;-4.24,-.37,;-5.57,.4,;-5.57,1.94,;-6.93,2.66,;-4.24,2.71,;-4.24,4.25,;-5.49,5.15,;-6.92,4.59,;-5.01,6.62,;-3.47,6.62,;-2.51,7.82,;-2.99,5.15,;-1.53,4.68,;-2.91,1.94,;-1.44,2.41,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(C(O)=O)c(C)n(C)c12 |r,wD:1.0,(-1.44,5.98,;-1.44,4.44,;.09,4.6,;1,3.35,;.37,1.95,;1.29,.71,;-1.16,1.79,;-2.07,.54,;-1.61,-.93,;-.12,-1.31,;.33,-2.78,;1.84,-3.11,;2.36,-4.56,;1.36,-5.74,;1.89,-7.19,;.91,-8.38,;3.4,-7.46,;3.91,-8.91,;4.4,-6.28,;5.9,-6.62,;3.87,-4.83,;-3.53,1.02,;-4.86,.25,;-6.2,1.02,;-6.2,2.56,;-7.59,3.22,;-4.86,3.33,;-4.86,4.87,;-6.11,5.77,;-7.54,5.2,;-5.63,7.24,;-4.09,7.24,;-3.32,8.57,;-3.62,5.77,;-2.16,5.28,;-3.53,2.56,;-2.07,3.03,;2.53,3.51,;3.47,2.29,;4.99,2.49,;5.58,3.92,;4.65,5.14,;4.93,6.65,;6.32,7.31,;6.44,8.85,;7.59,6.44,;3.57,7.39,;3.37,8.91,;2.46,6.33,;.94,6.61,;3.12,4.94,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2cc[nH]c2c1 |r,wD:1.0,(-1.39,6.17,;-1.39,4.63,;.14,4.79,;1.04,3.55,;.42,2.14,;1.34,.91,;-1.12,1.98,;-2.02,.73,;-1.55,-.73,;-.05,-1.09,;.42,-2.56,;1.93,-2.87,;2.35,-4.35,;3.87,-4.6,;4.41,-6.04,;5.91,-6.39,;3.44,-7.23,;3.96,-8.68,;1.92,-6.99,;.95,-8.18,;1.37,-5.55,;-3.49,1.21,;-4.82,.44,;-6.15,1.21,;-6.15,2.75,;-7.52,3.46,;-4.82,3.52,;-4.82,5.06,;-6.06,5.97,;-7.53,5.49,;-5.59,7.43,;-4.05,7.43,;-3.15,8.68,;-3.57,5.97,;-2.11,5.48,;-3.49,2.75,;-2.02,3.23,;2.57,3.73,;3.53,2.52,;5.05,2.74,;6.01,1.54,;5.44,.11,;7.53,1.76,;5.62,4.18,;7.06,4.71,;7.06,6.25,;5.62,6.67,;4.66,5.38,;3.14,5.16,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCN(C)C5)c4C)c3n12 |r,wD:1.0,(-.82,3.5,;-.82,1.95,;.72,2.11,;1.62,.87,;3.15,1.06,;4.18,-.08,;5.59,.55,;6.93,-.2,;5.43,2.08,;6.46,3.22,;5.98,4.69,;4.47,5.01,;3.44,3.86,;3.92,2.4,;3.96,6.46,;2.45,6.76,;4.95,7.63,;1,-.54,;1.87,-1.81,;-.54,-.7,;-1.44,-1.95,;-.92,-3.4,;.58,-3.74,;1.03,-5.21,;2.54,-5.55,;3.04,-7,;4.56,-7.26,;5.09,-8.71,;6.58,-9.08,;4.1,-9.89,;4.55,-11.37,;2.58,-9.63,;1.57,-10.79,;2.05,-8.19,;-2.91,-1.47,;-4.24,-2.24,;-5.57,-1.47,;-5.57,.07,;-6.93,.79,;-4.24,.84,;-4.19,2.38,;-5.44,3.28,;-6.87,2.72,;-4.96,4.75,;-3.42,4.75,;-2.47,5.96,;-3.03,7.39,;-4.56,7.61,;-4.82,9.13,;-3.45,9.84,;-3.23,11.37,;-2.35,8.77,;-2.95,3.28,;-1.48,2.81,;-2.91,.07,;-1.44,.55,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nccc(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.51,;-.8,2.97,;.73,3.13,;1.64,1.88,;3.17,2.08,;4.2,.93,;5.6,1.56,;6.94,.79,;5.44,3.09,;6.47,4.23,;6,5.7,;4.49,6.02,;3.46,4.87,;3.94,3.41,;4.01,7.48,;5.03,8.63,;4.54,10.09,;3.03,10.4,;2.01,9.25,;.5,9.56,;2.5,7.79,;1.01,.48,;1.96,-.74,;-.52,.32,;-1.42,-.93,;-.94,-2.39,;.55,-2.77,;1.04,-4.24,;2.55,-4.56,;3.05,-6.02,;2.03,-7.18,;2.53,-8.64,;1.52,-9.8,;4.04,-8.94,;4.51,-10.4,;5.06,-7.78,;6.57,-8.08,;4.56,-6.32,;-2.89,-.45,;-4.22,-1.22,;-5.56,-.45,;-5.56,1.09,;-6.94,1.76,;-4.22,1.86,;-4.22,3.4,;-5.47,4.3,;-6.91,3.76,;-4.99,5.77,;-3.45,5.77,;-2.54,7.01,;-2.98,4.3,;-1.51,3.84,;-2.89,1.09,;-1.42,1.56,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2nc(ccc2c1)C(O)=O |r,wD:1.0,(-2.72,6.17,;-2.72,4.63,;-1.19,4.79,;-.29,3.55,;-.91,2.14,;.01,.91,;-2.45,1.98,;-3.35,.73,;-2.88,-.73,;-1.38,-1.09,;-.91,-2.56,;.6,-2.87,;1.02,-4.35,;2.54,-4.6,;3.08,-6.04,;4.58,-6.39,;2.11,-7.23,;2.63,-8.68,;.59,-6.99,;-.38,-8.18,;.04,-5.55,;-4.82,1.21,;-6.15,.44,;-7.48,1.21,;-7.48,2.75,;-8.85,3.46,;-6.15,3.52,;-6.15,5.06,;-7.39,5.97,;-8.86,5.49,;-6.92,7.43,;-5.38,7.43,;-4.48,8.68,;-4.9,5.97,;-3.44,5.48,;-4.82,2.75,;-3.35,3.23,;1.24,3.73,;2.2,2.52,;3.72,2.74,;4.29,4.18,;5.81,4.4,;6.38,5.83,;5.43,7.04,;3.9,6.81,;3.33,5.38,;1.81,5.16,;7.9,6.05,;8.86,4.85,;8.47,7.49,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCOCC5)c4C)c3n12 |r,wD:1.0,(-.82,4.11,;-.82,2.57,;.71,2.73,;1.62,1.48,;3.15,1.65,;4.18,.5,;5.59,1.13,;6.92,.35,;5.43,2.66,;6.46,3.8,;5.98,5.27,;4.48,5.59,;3.45,4.44,;3.92,2.98,;3.95,7.04,;2.44,7.31,;4.95,8.21,;.99,.07,;1.87,-1.19,;-.54,-.09,;-1.44,-1.33,;-.99,-2.8,;.51,-3.14,;.98,-4.61,;2.47,-4.99,;2.99,-6.44,;4.51,-6.72,;5.03,-8.17,;6.53,-8.5,;4.03,-9.34,;4.56,-10.79,;2.51,-9.06,;1.54,-10.26,;2,-7.61,;-2.91,-.86,;-4.24,-1.63,;-5.58,-.86,;-5.58,.68,;-6.92,1.44,;-4.24,1.45,;-4.24,2.99,;-5.49,3.9,;-6.92,3.33,;-5.01,5.36,;-3.47,5.36,;-2.62,6.64,;-3.3,8.02,;-2.45,9.31,;-3.13,10.69,;-4.66,10.79,;-5.52,9.5,;-4.84,8.12,;-3,3.9,;-1.53,3.41,;-2.91,.68,;-1.44,1.16,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2cn3CCCc3n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,3.72,;-.8,2.18,;.73,2.34,;1.64,1.09,;3.17,1.28,;4.2,.14,;5.6,.76,;6.94,0,;5.44,2.3,;6.47,3.44,;6,4.91,;4.49,5.23,;3.46,4.08,;3.94,2.62,;4.01,6.69,;2.54,7.16,;2.54,8.7,;1.64,9.95,;2.54,11.19,;4.01,10.72,;4.01,9.18,;4.91,7.93,;1.01,-.31,;1.96,-1.53,;-.52,-.48,;-1.42,-1.72,;-.94,-3.18,;.55,-3.57,;1.04,-5.03,;2.55,-5.36,;3.05,-6.81,;2.03,-7.97,;2.53,-9.43,;1.52,-10.59,;4.04,-9.73,;4.51,-11.19,;5.06,-8.57,;6.57,-8.87,;4.56,-7.11,;-2.89,-1.25,;-4.22,-2.02,;-5.56,-1.25,;-5.56,.29,;-6.94,.97,;-4.22,1.06,;-4.22,2.6,;-5.47,3.51,;-6.91,2.96,;-4.99,4.97,;-3.45,4.97,;-2.54,6.22,;-2.98,3.51,;-1.51,3.05,;-2.89,.29,;-1.42,.77,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CCN5CCCC5)c4C)c3n12 |r,wD:1.0,(-.82,3.66,;-.82,2.12,;.71,2.28,;1.62,1.03,;3.15,1.2,;4.18,.05,;5.59,.68,;6.92,-.1,;5.43,2.21,;6.46,3.36,;5.98,4.82,;4.48,5.14,;3.45,4,;3.92,2.53,;3.95,6.59,;2.44,6.86,;4.95,7.77,;.99,-.37,;1.87,-1.64,;-.54,-.53,;-1.44,-1.78,;-.99,-3.25,;.51,-3.59,;.98,-5.05,;2.47,-5.44,;2.99,-6.89,;4.51,-7.17,;5.03,-8.62,;6.53,-8.95,;4.03,-9.79,;4.56,-11.23,;2.51,-9.51,;1.54,-10.7,;2,-8.06,;-2.91,-1.3,;-4.24,-2.07,;-5.58,-1.3,;-5.58,.24,;-6.92,.99,;-4.24,1.01,;-4.24,2.55,;-5.49,3.45,;-6.92,2.88,;-5.01,4.92,;-3.47,4.92,;-2.62,6.2,;-3.39,7.53,;-2.62,8.86,;-1.08,8.86,;-.6,10.33,;-1.85,11.23,;-3.09,10.33,;-3,3.45,;-1.53,2.96,;-2.91,.24,;-1.44,.71,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nc[nH]n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.72,;-.8,3.18,;.73,3.35,;1.64,2.1,;3.17,2.29,;4.2,1.15,;5.6,1.77,;6.94,1.01,;5.44,3.3,;6.47,4.45,;6,5.91,;4.49,6.23,;3.46,5.09,;3.94,3.62,;4.01,7.69,;4.91,8.94,;4.01,10.19,;2.54,9.71,;2.54,8.17,;1.01,.69,;1.96,-.52,;-.52,.53,;-1.42,-.71,;-.94,-2.17,;.55,-2.56,;1.04,-4.02,;2.55,-4.35,;3.05,-5.81,;2.03,-6.96,;2.53,-8.42,;1.52,-9.58,;4.04,-8.72,;4.51,-10.19,;5.06,-7.56,;6.57,-7.86,;4.56,-6.1,;-2.89,-.24,;-4.22,-1.01,;-5.56,-.24,;-5.56,1.3,;-6.94,1.97,;-4.22,2.07,;-4.22,3.61,;-5.47,4.52,;-6.91,3.97,;-4.99,5.98,;-3.45,5.98,;-2.54,7.23,;-2.98,4.52,;-1.51,4.06,;-2.89,1.3,;-1.42,1.78,)|
CCn1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2ccc(cc12)C(O)=O |r,wD:7.7,(7.47,2.61,;6.15,1.82,;4.81,2.59,;3.4,1.96,;2.37,3.1,;.84,2.91,;-.06,4.15,;-1.59,3.99,;-1.64,5.53,;-2.22,2.59,;-1.31,1.34,;-2.22,.09,;-1.72,-1.36,;-.22,-1.74,;.23,-3.21,;1.74,-3.54,;2.2,-5.01,;3.71,-5.27,;4.24,-6.71,;5.75,-7.03,;3.26,-7.9,;3.79,-9.34,;1.74,-7.64,;.75,-8.81,;1.21,-6.19,;-3.68,.57,;-5.02,-.2,;-6.35,.57,;-6.35,2.11,;-7.73,2.8,;-5.02,2.88,;-4.97,4.42,;-6.22,5.32,;-7.66,4.78,;-5.74,6.79,;-4.2,6.79,;-3.29,8.03,;-3.72,5.32,;-2.26,4.85,;-3.68,2.11,;.22,1.5,;1.16,.28,;3.14,4.44,;2.67,5.9,;3.7,7.05,;5.2,6.73,;5.68,5.26,;4.65,4.12,;6.22,7.89,;5.72,9.34,;7.73,7.59,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1nccc2cc(ccc12)C(O)=O |r,wD:1.0,(-.87,5.22,;-.87,3.68,;.66,3.84,;1.57,2.59,;.94,1.19,;1.82,-.08,;-.59,1.03,;-1.5,-.22,;-1.04,-1.69,;.46,-2.03,;.93,-3.49,;2.42,-3.88,;2.94,-5.33,;4.46,-5.61,;4.98,-7.06,;6.48,-7.39,;3.98,-8.23,;4.51,-9.67,;2.46,-7.95,;1.49,-9.14,;1.95,-6.5,;-2.96,.26,;-4.29,-.51,;-5.63,.26,;-5.63,1.8,;-6.97,2.55,;-4.29,2.57,;-4.29,4.11,;-5.54,5.01,;-6.97,4.44,;-5.06,6.48,;-3.52,6.48,;-2.67,7.76,;-3.05,5.01,;-1.59,4.52,;-2.96,1.8,;-1.5,2.27,;3.1,2.76,;4.04,1.54,;5.57,1.74,;6.15,3.17,;5.21,4.39,;5.8,5.81,;4.86,7.03,;3.33,6.83,;2.75,5.4,;3.69,4.18,;5.44,8.45,;4.5,9.67,;6.97,8.66,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnc(o2)-c2ccccc2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,3.29,;-.8,1.75,;.73,1.91,;1.64,.67,;3.17,.86,;4.2,-.29,;5.6,.34,;6.94,-.42,;5.44,1.87,;6.47,3.02,;6,4.48,;4.49,4.8,;3.46,3.66,;3.94,2.19,;4.01,6.26,;4.91,7.51,;4.01,8.75,;2.54,8.28,;2.54,6.74,;1.29,9.18,;1.46,10.71,;.21,11.62,;-1.2,10.99,;-1.36,9.46,;-.11,8.56,;1.01,-.74,;1.96,-1.96,;-.52,-.9,;-1.42,-2.15,;-.94,-3.61,;.55,-3.99,;1.04,-5.45,;2.55,-5.78,;3.05,-7.24,;2.03,-8.4,;2.53,-9.86,;1.52,-11.01,;4.04,-10.15,;4.51,-11.62,;5.06,-9,;6.57,-9.29,;4.56,-7.54,;-2.89,-1.67,;-4.22,-2.44,;-5.56,-1.67,;-5.56,-.13,;-6.94,.54,;-4.22,.64,;-4.22,2.18,;-5.47,3.08,;-6.91,2.54,;-4.99,4.55,;-3.45,4.55,;-2.54,5.79,;-2.98,3.08,;-1.51,2.63,;-2.89,-.13,;-1.42,.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(cnc12)C(O)=O |r,wD:1.0,(-.82,5.18,;-.77,3.64,;.76,3.8,;1.67,2.55,;1.04,1.14,;1.98,-.08,;-.49,.98,;-1.4,-.26,;-.89,-1.72,;.6,-2.09,;1.06,-3.56,;2.56,-3.89,;3.02,-5.36,;4.53,-5.63,;5.07,-7.07,;6.57,-7.39,;4.08,-8.25,;4.61,-9.7,;2.56,-7.99,;1.57,-9.17,;2.03,-6.55,;-2.86,.21,;-4.2,-.56,;-5.53,.21,;-5.53,1.75,;-6.91,2.44,;-4.2,2.52,;-4.2,4.06,;-5.44,4.97,;-6.88,4.42,;-4.97,6.43,;-3.43,6.43,;-2.52,7.68,;-2.95,4.97,;-1.48,4.5,;-2.86,1.75,;-1.4,2.23,;3.19,2.75,;4.17,1.55,;5.69,1.8,;6.23,3.24,;5.26,4.43,;5.81,5.87,;4.84,7.07,;3.32,6.82,;2.77,5.38,;3.74,4.19,;5.39,8.5,;4.41,9.7,;6.91,8.75,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)S(=O)(=O)N2CCNCC2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(2.35,4.48,;1.32,3.33,;1.8,1.87,;.76,.73,;1.24,-.74,;.34,-1.99,;1.24,-3.23,;.76,-4.7,;2.71,-2.76,;4.04,-3.53,;5.37,-2.76,;5.37,-1.22,;4.04,-.45,;2.71,-1.22,;6.71,-.45,;5.94,.89,;7.48,-1.78,;8.04,.32,;8.04,1.86,;9.37,2.63,;10.71,1.86,;10.71,.32,;9.37,-.45,;-.74,1.05,;-1.77,-.1,;-1.22,2.51,;-2.62,3.14,;-3.96,2.37,;-3.96,.83,;-5.29,.06,;-5.29,-1.48,;-6.63,-2.25,;-7.96,-1.48,;-9.29,-2.25,;-10.63,-1.48,;-9.29,-3.79,;-10.63,-4.56,;-7.96,-4.56,;-7.96,-6.1,;-6.63,-3.79,;-2.46,4.67,;-3.49,5.81,;-3.02,7.28,;-1.51,7.6,;-1.04,9.06,;-.48,6.45,;1.03,6.77,;1.65,8.18,;.88,9.51,;3.18,8.02,;3.5,6.51,;4.91,5.89,;2.17,5.74,;2.94,4.41,;-.96,4.99,;-.19,3.65,)|
CC(C)c1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(N)=O |r,wD:8.8,(5.4,-.62,;5.99,.8,;7.52,1,;5.06,2.02,;3.53,1.82,;2.59,3.05,;1.06,2.88,;.16,4.13,;-1.38,3.97,;-1.38,5.51,;-2,2.56,;-1.1,1.32,;-2,.07,;-1.55,-1.4,;-.05,-1.77,;.4,-3.25,;1.9,-3.58,;2.42,-5.03,;1.43,-6.21,;1.95,-7.65,;.98,-8.85,;3.47,-7.93,;3.97,-9.38,;4.46,-6.75,;5.96,-7.08,;3.94,-5.3,;-3.47,.55,;-4.8,-.22,;-6.13,.55,;-6.13,2.09,;-7.52,2.76,;-4.8,2.86,;-4.8,4.4,;-6.05,5.3,;-7.48,4.73,;-5.57,6.77,;-4.03,6.77,;-3.26,8.1,;-3.55,5.3,;-2.09,4.82,;-3.47,2.09,;.44,1.48,;1.35,.24,;3.18,4.47,;2.52,5.86,;1.01,6.14,;3.64,6.92,;4.99,6.18,;4.71,4.67,;5.65,3.45,;3.44,8.45,;2.01,9.04,;4.66,9.38,)|
C[C@@H]1CN(c2cn(C)c3cccc(C(O)=O)c23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.85,6.19,;-.8,4.65,;.73,4.81,;1.64,3.56,;3.16,3.76,;4.19,2.62,;5.6,3.24,;6.94,2.48,;5.44,4.77,;6.47,5.92,;5.99,7.38,;4.49,7.7,;3.46,6.56,;1.95,6.88,;1.47,8.34,;.92,5.73,;3.93,5.09,;1.01,2.16,;1.95,.94,;-.52,2,;-1.43,.75,;-.93,-.71,;.57,-1.08,;1.02,-2.55,;2.53,-2.88,;2.99,-4.35,;4.5,-4.61,;5.03,-6.06,;6.54,-6.38,;4.05,-7.24,;4.58,-8.69,;2.53,-6.98,;1.54,-8.16,;2,-5.53,;-2.89,1.23,;-4.23,.46,;-5.56,1.23,;-5.56,2.77,;-6.94,3.45,;-4.23,3.54,;-4.18,5.07,;-5.43,5.98,;-6.87,5.43,;-4.95,7.44,;-3.41,7.44,;-2.5,8.69,;-2.93,5.98,;-1.47,5.51,;-2.89,2.77,;-1.43,3.24,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(C)c(cc12)C(N)=O |r,wD:1.0,(-.89,5.55,;-.89,4.01,;.65,4.17,;1.55,2.92,;.92,1.51,;1.84,.28,;-.61,1.35,;-1.51,.11,;-1.03,-1.35,;.47,-1.73,;.96,-3.19,;2.46,-3.52,;2.93,-4.98,;4.45,-5.22,;5.01,-6.66,;6.51,-6.98,;4.04,-7.86,;4.56,-9.31,;2.52,-7.62,;1.58,-8.84,;1.97,-6.18,;-2.98,.58,;-4.31,-.19,;-5.64,.58,;-5.64,2.12,;-7.01,2.83,;-4.31,2.89,;-4.31,4.43,;-5.56,5.34,;-7.02,4.86,;-5.08,6.8,;-3.54,6.8,;-2.77,8.14,;-3.06,5.34,;-1.6,4.86,;-2.98,2.12,;-1.51,2.6,;3.08,3.06,;3.97,1.8,;5.51,1.94,;6.15,3.34,;5.26,4.6,;5.61,6.1,;7.02,6.71,;4.28,6.89,;3.12,5.87,;3.73,4.46,;4.14,8.42,;2.75,9.07,;5.4,9.31,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2nnc(o2)C2CC2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,3.81,;-.8,2.27,;.73,2.43,;1.64,1.18,;3.17,1.37,;4.2,.23,;5.6,.85,;6.94,.09,;5.44,2.39,;6.47,3.53,;6,5,;4.49,5.32,;3.46,4.17,;3.94,2.71,;4.01,6.78,;4.91,8.02,;4.01,9.27,;2.54,8.79,;2.54,7.25,;1.29,9.7,;.67,11.1,;-.24,9.86,;1.01,-.22,;1.96,-1.44,;-.52,-.39,;-1.42,-1.63,;-.94,-3.09,;.55,-3.48,;1.04,-4.94,;2.55,-5.27,;3.05,-6.72,;2.03,-7.88,;2.53,-9.34,;1.52,-10.5,;4.04,-9.64,;4.51,-11.1,;5.06,-8.48,;6.57,-8.78,;4.56,-7.02,;-2.89,-1.16,;-4.22,-1.93,;-5.56,-1.16,;-5.56,.38,;-6.94,1.05,;-4.22,1.15,;-4.22,2.69,;-5.47,3.6,;-6.91,3.05,;-4.99,5.06,;-3.45,5.06,;-2.54,6.31,;-2.98,3.6,;-1.51,3.14,;-2.89,.38,;-1.42,.86,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2cccnn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.51,;-.8,2.97,;.73,3.13,;1.64,1.88,;3.17,2.08,;4.2,.93,;5.6,1.56,;6.94,.79,;5.44,3.09,;6.47,4.23,;6,5.7,;4.49,6.02,;3.46,4.87,;3.94,3.41,;4.01,7.48,;5.03,8.63,;4.54,10.09,;3.03,10.4,;2.01,9.25,;2.5,7.79,;1.01,.48,;1.96,-.74,;-.52,.32,;-1.42,-.93,;-.94,-2.39,;.55,-2.77,;1.04,-4.24,;2.55,-4.56,;3.05,-6.02,;2.03,-7.18,;2.53,-8.64,;1.52,-9.8,;4.04,-8.94,;4.51,-10.4,;5.06,-7.78,;6.57,-8.08,;4.56,-6.32,;-2.89,-.45,;-4.22,-1.22,;-5.56,-.45,;-5.56,1.09,;-6.94,1.76,;-4.22,1.86,;-4.22,3.4,;-5.47,4.3,;-6.91,3.76,;-4.99,5.77,;-3.45,5.77,;-2.54,7.01,;-2.98,4.3,;-1.51,3.84,;-2.89,1.09,;-1.42,1.56,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-1.42,5.95,;-1.42,4.41,;.11,4.57,;1.02,3.33,;.39,1.92,;1.31,.69,;-1.14,1.76,;-2.05,.51,;-1.57,-.95,;-.08,-1.31,;.4,-2.78,;1.9,-3.09,;2.32,-4.57,;3.84,-4.82,;4.39,-6.26,;5.89,-6.61,;3.42,-7.45,;3.93,-8.9,;1.9,-7.21,;.92,-8.4,;1.35,-5.77,;-3.51,.99,;-4.85,.22,;-6.18,.99,;-6.18,2.53,;-7.55,3.24,;-4.85,3.3,;-4.85,4.84,;-6.09,5.75,;-7.56,5.27,;-5.62,7.21,;-4.08,7.21,;-3.6,5.75,;-2.14,5.26,;-3.51,2.53,;-2.05,3.01,;2.55,3.51,;3.5,2.3,;5.02,2.52,;5.59,3.96,;4.64,5.16,;4.89,6.68,;3.53,7.4,;2.43,6.32,;.91,6.58,;3.11,4.94,;6.27,7.37,;6.37,8.9,;7.56,6.51,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccnc2ccc(cc12)-c1nnn(C)n1 |r,wD:1.0,(-.66,4.81,;-.66,3.27,;.87,3.44,;1.78,2.19,;1.15,.78,;2.07,-.45,;-.38,.62,;-1.29,-.62,;-.8,-2.09,;.71,-2.41,;1.19,-3.88,;2.69,-4.21,;3.2,-5.67,;4.72,-5.91,;5.27,-7.35,;6.78,-7.68,;4.3,-8.54,;4.78,-10.01,;2.78,-8.31,;1.84,-9.53,;2.23,-6.87,;-2.75,-.15,;-4.08,-.92,;-5.42,-.15,;-5.42,1.39,;-6.78,2.12,;-4.08,2.16,;-4.08,3.7,;-5.33,4.61,;-6.77,4.06,;-4.85,6.07,;-3.31,6.07,;-2.41,7.32,;-2.84,4.61,;-1.37,4.13,;-2.75,1.39,;-1.29,1.87,;3.31,2.35,;4.25,1.13,;5.77,1.33,;6.36,2.75,;5.43,3.97,;6.02,5.4,;5.08,6.62,;3.55,6.42,;2.96,5,;3.9,3.77,;2.61,7.64,;3.09,9.1,;1.84,10.01,;.6,9.1,;-.89,9.5,;1.07,7.64,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12 |r,wD:1.0,(-1.65,5.53,;-1.6,4,;-.07,4.16,;.84,2.91,;2.37,3.11,;3.4,1.96,;4.8,2.59,;6.14,1.83,;4.64,4.12,;5.67,5.27,;5.2,6.73,;3.69,7.05,;2.66,5.91,;3.14,4.44,;6.23,7.87,;5.75,9.34,;7.73,7.55,;.21,1.5,;1.15,.28,;-1.32,1.34,;-2.22,.1,;-1.72,-1.36,;-.23,-1.73,;.23,-3.2,;1.73,-3.53,;2.19,-5,;3.71,-5.27,;4.24,-6.71,;5.74,-7.03,;3.25,-7.89,;3.78,-9.34,;1.73,-7.63,;.74,-8.81,;1.2,-6.19,;-3.69,.57,;-5.02,-.2,;-6.36,.57,;-6.36,2.11,;-7.73,2.8,;-5.02,2.88,;-4.98,4.42,;-6.22,5.33,;-7.66,4.78,;-5.75,6.79,;-4.21,6.79,;-3.73,5.33,;-2.26,4.85,;-3.69,2.11,;-2.22,2.59,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(N)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12 |r,wD:1.0,(-1.74,5.02,;-.83,3.78,;.7,3.94,;1.6,2.69,;3.13,2.88,;4.22,1.79,;5.59,2.49,;6.96,1.78,;5.35,4.01,;6.33,5.2,;5.78,6.64,;4.26,6.89,;3.28,5.69,;3.83,4.25,;3.71,8.32,;2.19,8.57,;4.68,9.52,;.98,1.28,;1.92,.07,;-.56,1.12,;-1.46,-.12,;-.99,-1.59,;.52,-1.91,;.99,-3.37,;2.5,-3.7,;2.97,-5.17,;4.48,-5.44,;5,-6.89,;6.5,-7.25,;4.01,-8.07,;4.52,-9.52,;2.49,-7.79,;1.5,-8.97,;1.97,-6.34,;-2.93,.35,;-4.26,-.42,;-5.59,.35,;-5.59,1.89,;-6.96,2.6,;-4.26,2.66,;-4.25,5.65,;-5.59,6.42,;-6.92,5.65,;-5.59,7.96,;-4.25,8.73,;-2.92,7.96,;-2.92,6.42,;-1.59,5.65,;-2.93,1.89,;-1.46,2.37,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCN(C)CC5)nc4C)c3n12)c1cc(C)cc2cc(C(N)=O)n(C)c12 |r,wD:1.0,(.69,4.15,;.69,2.61,;2.23,2.77,;3.13,1.53,;2.51,.12,;3.42,-1.12,;.97,-.04,;.07,-1.29,;.52,-2.76,;2.02,-3.13,;2.47,-4.6,;3.97,-4.94,;4.49,-6.39,;3.5,-7.56,;4.02,-9.01,;3.05,-10.2,;5.54,-9.28,;6.04,-10.74,;6.53,-8.11,;8.03,-8.44,;6.01,-6.66,;-1.4,-.81,;-2.73,-1.58,;-4.06,-.81,;-4.06,.73,;-5.45,1.4,;-2.73,1.5,;-2.73,3.04,;-4.06,3.81,;-5.4,3.04,;-4.06,5.35,;-2.73,6.12,;-2.73,7.66,;-4.06,8.43,;-4.06,9.97,;-5.4,10.74,;-6.73,9.97,;-8.06,10.74,;-6.73,8.43,;-5.4,7.66,;-1.4,5.35,;-1.4,3.81,;-.06,3.04,;-1.4,.73,;.07,1.21,;4.66,1.69,;5.6,.47,;7.13,.67,;8.06,-.56,;7.72,2.09,;6.78,3.31,;7.06,4.83,;5.71,5.56,;5.51,7.09,;4.09,7.68,;6.73,8.02,;4.59,4.5,;3.08,4.78,;5.25,3.11,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2cc(C(O)=O)n(C)c2c1 |r,wD:1.0,(-2.56,6.22,;-2.52,4.68,;-.98,4.84,;-.08,3.6,;-.7,2.19,;.23,.96,;-2.24,2.03,;-3.14,.78,;-2.64,-.67,;-1.14,-1.02,;-.67,-2.49,;.83,-2.85,;1.33,-4.31,;2.84,-4.58,;3.37,-6.02,;4.88,-6.34,;2.38,-7.2,;2.83,-8.68,;.86,-6.94,;-.11,-8.13,;.34,-5.49,;-4.61,1.26,;-5.94,.49,;-7.27,1.26,;-7.27,2.8,;-8.63,3.52,;-5.94,3.57,;-5.9,5.11,;-7.14,6.02,;-8.58,5.46,;-6.67,7.48,;-5.13,7.48,;-4.16,8.68,;-4.65,6.02,;-3.19,5.53,;-4.61,2.8,;-3.14,3.28,;1.45,3.76,;2.36,2.51,;3.89,2.67,;4.52,4.08,;5.98,4.56,;5.98,6.1,;7.23,7,;8.63,6.38,;7.07,8.53,;4.52,6.57,;4.04,8.04,;3.61,5.33,;2.08,5.17,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(N)=O)n(C)c12 |r,wD:1.0,(-.62,5.51,;-.62,3.97,;.91,4.13,;1.81,2.88,;1.19,1.47,;2.07,.21,;-.34,1.31,;-1.25,.07,;-.8,-1.41,;.71,-1.74,;1.18,-3.21,;2.67,-3.59,;3.19,-5.04,;4.7,-5.32,;5.22,-6.77,;6.72,-7.1,;4.22,-7.94,;4.76,-9.39,;2.71,-7.67,;1.73,-8.86,;2.19,-6.21,;-2.71,.54,;-4.05,-.23,;-5.38,.54,;-5.38,2.08,;-6.72,2.84,;-4.05,2.85,;-4.05,4.39,;-5.29,5.3,;-6.72,4.73,;-4.82,6.76,;-3.28,6.76,;-2.42,8.04,;-2.8,5.3,;-1.34,4.81,;-2.71,2.08,;-1.25,2.56,;3.35,3.04,;4.29,1.83,;5.81,2.03,;6.4,3.45,;5.46,4.67,;5.74,6.19,;4.38,6.92,;4.18,8.45,;2.75,9.03,;5.4,9.39,;3.27,5.86,;1.75,6.13,;3.93,4.47,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)NNc2ccccc2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.05,;-.8,2.51,;.73,2.67,;1.64,1.42,;3.17,1.61,;4.2,.47,;5.6,1.09,;6.94,.33,;5.44,2.63,;6.47,3.77,;6,5.24,;4.49,5.56,;3.46,4.41,;3.94,2.95,;4.01,7.02,;5.03,8.17,;2.5,7.33,;2.01,8.79,;.5,9.09,;.01,10.56,;-1.5,10.86,;-2.52,9.71,;-2.03,8.25,;-.52,7.94,;1.01,.01,;1.96,-1.2,;-.52,-.15,;-1.42,-1.39,;-.94,-2.85,;.55,-3.24,;1.04,-4.7,;2.55,-5.03,;3.05,-6.48,;2.03,-7.64,;2.53,-9.1,;1.52,-10.26,;4.04,-9.4,;4.51,-10.86,;5.06,-8.24,;6.57,-8.54,;4.56,-6.78,;-2.89,-.92,;-4.22,-1.69,;-5.56,-.92,;-5.56,.62,;-6.94,1.29,;-4.22,1.39,;-4.22,2.93,;-5.47,3.84,;-6.91,3.29,;-4.99,5.3,;-3.45,5.3,;-2.54,6.55,;-2.98,3.84,;-1.51,3.38,;-2.89,.62,;-1.42,1.1,)|
C[C@@H]1CN(c2nc(C(O)=O)c3ccccn23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.48,6.17,;-1.48,4.63,;.05,4.79,;.96,3.55,;2.49,3.73,;3.57,2.63,;4.95,3.31,;6.28,2.54,;6.28,1,;7.61,3.31,;4.72,4.83,;5.7,6.02,;5.17,7.46,;3.65,7.72,;2.67,6.54,;3.2,5.09,;.33,2.14,;1.26,.91,;-1.2,1.98,;-2.1,.73,;-1.63,-.73,;-.13,-1.09,;.34,-2.56,;1.85,-2.87,;2.26,-4.35,;3.78,-4.6,;4.33,-6.04,;5.83,-6.39,;3.36,-7.23,;3.87,-8.68,;1.84,-6.99,;.87,-8.18,;1.29,-5.55,;-3.57,1.21,;-4.9,.44,;-6.24,1.21,;-6.24,2.75,;-7.6,3.46,;-4.9,3.52,;-4.9,5.06,;-6.15,5.97,;-7.61,5.49,;-5.67,7.43,;-4.13,7.43,;-3.24,8.68,;-3.66,5.97,;-2.19,5.48,;-3.57,2.75,;-2.1,3.23,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.48,4.88,;-.61,3.61,;.9,3.71,;1.81,2.5,;1.11,1.13,;2.07,-.18,;-.41,.98,;-1.27,-.28,;-.76,-1.8,;.7,-2.15,;1.21,-3.57,;2.72,-3.92,;3.18,-5.34,;4.69,-5.74,;5.15,-7.15,;6.71,-7.51,;4.14,-8.32,;4.59,-9.83,;2.62,-7.96,;1.61,-9.23,;2.17,-6.55,;-2.73,.22,;-4.05,-.54,;-5.36,.22,;-5.36,1.74,;-6.69,2.51,;-4.05,2.5,;-4.05,5.56,;-5.38,6.33,;-6.71,5.56,;-5.38,7.87,;-4.05,8.64,;-2.71,7.87,;-2.71,6.33,;-1.38,5.56,;-2.73,1.74,;-1.27,2.19,;3.33,2.65,;4.24,1.44,;5.75,1.64,;6.36,3,;5.45,4.27,;5.81,5.78,;4.44,6.54,;4.29,8.05,;5.55,8.96,;2.92,8.71,;3.33,5.53,;1.81,5.83,;1.04,7.17,;1.81,8.5,;1.04,9.83,;-.5,9.83,;-1.27,8.5,;-.5,7.17,;3.94,4.06,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C2=NCCO2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,t:16,(-.8,4.72,;-.8,3.18,;.73,3.35,;1.64,2.1,;3.17,2.29,;4.2,1.15,;5.6,1.77,;6.94,1.01,;5.44,3.3,;6.47,4.45,;6,5.91,;4.49,6.23,;3.46,5.09,;3.94,3.62,;4.01,7.69,;4.91,8.94,;4.01,10.19,;2.54,9.71,;2.54,8.17,;1.01,.69,;1.96,-.52,;-.52,.53,;-1.42,-.71,;-.94,-2.17,;.55,-2.56,;1.04,-4.02,;2.55,-4.35,;3.05,-5.81,;2.03,-6.96,;2.53,-8.42,;1.52,-9.58,;4.04,-8.72,;4.51,-10.19,;5.06,-7.56,;6.57,-7.86,;4.56,-6.1,;-2.89,-.24,;-4.22,-1.01,;-5.56,-.24,;-5.56,1.3,;-6.94,1.97,;-4.22,2.07,;-4.22,3.61,;-5.47,4.52,;-6.91,3.97,;-4.99,5.98,;-3.45,5.98,;-2.54,7.23,;-2.98,4.52,;-1.51,4.06,;-2.89,1.3,;-1.42,1.78,)|
C[C@@H]1CN(c2cn3cccc(C(O)=O)c3n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.69,6.17,;-1.69,4.63,;-.16,4.79,;.75,3.55,;2.28,3.73,;2.99,5.09,;4.51,4.83,;5.72,5.79,;7.15,5.22,;7.38,3.7,;6.17,2.74,;6.39,1.22,;7.82,.65,;5.18,.26,;4.74,3.31,;3.36,2.63,;.12,2.14,;1.05,.91,;-1.41,1.98,;-2.31,.73,;-1.84,-.73,;-.34,-1.09,;.13,-2.56,;1.64,-2.87,;2.05,-4.35,;3.57,-4.6,;4.12,-6.04,;5.62,-6.39,;3.15,-7.23,;3.66,-8.68,;1.63,-6.99,;.66,-8.18,;1.08,-5.55,;-3.78,1.21,;-5.11,.44,;-6.45,1.21,;-6.45,2.75,;-7.81,3.46,;-5.11,3.52,;-5.11,5.06,;-6.36,5.97,;-7.82,5.49,;-5.88,7.43,;-4.34,7.43,;-3.45,8.68,;-3.87,5.97,;-2.4,5.48,;-3.78,2.75,;-2.31,3.23,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.57,5.2,;-.67,3.96,;.87,4.12,;1.77,2.87,;1.14,1.46,;2.05,.22,;-.39,1.3,;-1.29,.06,;-.79,-1.4,;.71,-1.74,;1.21,-3.19,;2.71,-3.54,;3.23,-4.99,;4.75,-5.26,;5.28,-6.7,;6.78,-7.04,;4.3,-7.89,;4.8,-9.34,;2.78,-7.62,;1.82,-8.83,;2.25,-6.18,;-2.76,.53,;-4.09,-.24,;-5.42,.53,;-5.42,2.07,;-6.78,2.8,;-4.09,2.84,;-4.09,5.75,;-5.42,6.52,;-6.74,5.74,;-5.42,8.06,;-4.09,8.83,;-2.75,8.06,;-2.75,6.52,;-1.38,5.82,;-2.76,2.07,;-1.29,2.55,;3.3,3.07,;4.19,1.82,;5.73,1.97,;6.66,.75,;6.36,3.37,;5.47,4.62,;5.8,6.13,;4.47,6.91,;4.33,8.44,;5.57,9.34,;2.92,9.07,;3.32,5.89,;1.8,6.14,;3.94,4.48,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2noc(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.58,;-.8,3.04,;.73,3.2,;1.64,1.95,;3.17,2.14,;4.2,1,;5.6,1.63,;6.94,.86,;5.44,3.16,;6.47,4.3,;6,5.77,;4.49,6.09,;3.46,4.94,;3.94,3.48,;4.01,7.55,;4.91,8.79,;4.01,10.04,;2.54,9.56,;1.21,10.33,;2.54,8.02,;1.01,.55,;1.96,-.67,;-.52,.39,;-1.42,-.86,;-.94,-2.32,;.55,-2.71,;1.04,-4.17,;2.55,-4.5,;3.05,-5.95,;2.03,-7.11,;2.53,-8.57,;1.52,-9.73,;4.04,-8.87,;4.51,-10.33,;5.06,-7.71,;6.57,-8.01,;4.56,-6.25,;-2.89,-.38,;-4.22,-1.15,;-5.56,-.38,;-5.56,1.16,;-6.94,1.83,;-4.22,1.93,;-4.22,3.47,;-5.47,4.37,;-6.91,3.82,;-4.99,5.84,;-3.45,5.84,;-2.54,7.08,;-2.98,4.37,;-1.51,3.91,;-2.89,1.16,;-1.42,1.63,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-.78,5.47,;-.78,3.93,;.75,4.09,;1.66,2.84,;1.03,1.43,;1.95,.2,;-.5,1.27,;-1.41,.03,;-.93,-1.44,;.56,-1.8,;1.04,-3.27,;2.54,-3.58,;2.96,-5.06,;4.48,-5.3,;5.03,-6.74,;6.53,-7.1,;4.06,-7.94,;4.57,-9.39,;2.54,-7.69,;1.56,-8.89,;1.99,-6.25,;-2.87,.5,;-4.2,-.27,;-5.54,.5,;-5.54,2.04,;-6.91,2.75,;-4.2,2.81,;-4.2,4.35,;-5.45,5.26,;-6.92,4.79,;-4.97,6.72,;-3.43,6.72,;-2.54,7.98,;-2.96,5.26,;-1.5,4.77,;-2.87,2.04,;-1.41,2.52,;3.19,3.02,;4.14,1.81,;5.67,2.04,;6.23,3.47,;5.28,4.68,;5.54,6.2,;6.92,6.88,;4.17,6.91,;3.07,5.83,;3.75,4.45,;3.95,8.43,;5.16,9.39,;2.52,9,)|
C[C@@H]1CN(c2nn(C)c3cccc(C(O)=O)c23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12 |r,wD:1.0,(-1.72,5.44,;-.82,4.2,;.71,4.36,;1.62,3.11,;3.15,3.3,;4.18,2.16,;5.59,2.78,;6.93,2.04,;5.42,4.32,;6.45,5.46,;5.98,6.92,;4.47,7.25,;3.44,6.1,;1.95,6.47,;1.52,7.95,;.88,5.37,;3.92,4.64,;.99,1.7,;1.91,.47,;-.54,1.54,;-1.44,.3,;-.91,-1.15,;.58,-1.52,;1.07,-2.98,;2.57,-3.31,;3.06,-4.77,;4.57,-5.07,;5.07,-6.53,;6.57,-6.85,;4.05,-7.69,;4.57,-9.14,;2.54,-7.39,;1.6,-8.61,;2.05,-5.93,;-2.91,.77,;-4.24,0,;-5.57,.77,;-5.57,2.31,;-6.93,3.04,;-4.24,3.08,;-4.24,6.06,;-5.57,6.83,;-6.91,6.06,;-5.57,8.37,;-4.24,9.14,;-2.91,8.37,;-2.91,6.83,;-1.57,6.06,;-2.91,2.31,;-1.44,2.79,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2cnccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.51,;-.8,2.97,;.73,3.13,;1.64,1.88,;3.17,2.08,;4.2,.93,;5.6,1.56,;6.94,.79,;5.44,3.09,;6.47,4.23,;6,5.7,;4.49,6.02,;3.46,4.87,;3.94,3.41,;4.01,7.48,;5.03,8.63,;4.54,10.09,;3.03,10.4,;2.01,9.25,;2.5,7.79,;1.01,.48,;1.96,-.74,;-.52,.32,;-1.42,-.93,;-.94,-2.39,;.55,-2.77,;1.04,-4.24,;2.55,-4.56,;3.05,-6.02,;2.03,-7.18,;2.53,-8.64,;1.52,-9.8,;4.04,-8.94,;4.51,-10.4,;5.06,-7.78,;6.57,-8.08,;4.56,-6.32,;-2.89,-.45,;-4.22,-1.22,;-5.56,-.45,;-5.56,1.09,;-6.94,1.76,;-4.22,1.86,;-4.22,3.4,;-5.47,4.3,;-6.91,3.76,;-4.99,5.77,;-3.45,5.77,;-2.54,7.01,;-2.98,4.3,;-1.51,3.84,;-2.89,1.09,;-1.42,1.56,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2n(C)c(cc2c1)C(O)=O |r,wD:1.0,(-2.52,6.17,;-2.52,4.63,;-.98,4.79,;-.08,3.55,;-.71,2.14,;.22,.91,;-2.24,1.98,;-3.14,.73,;-2.67,-.73,;-1.17,-1.09,;-.7,-2.56,;.81,-2.87,;1.23,-4.35,;2.75,-4.6,;3.29,-6.04,;4.79,-6.39,;2.32,-7.23,;2.84,-8.68,;.8,-6.99,;-.17,-8.18,;.25,-5.55,;-4.61,1.21,;-5.94,.44,;-7.27,1.21,;-7.27,2.75,;-8.64,3.46,;-5.94,3.52,;-5.9,5.06,;-7.14,5.96,;-8.61,5.49,;-6.67,7.43,;-5.13,7.43,;-4.23,8.68,;-4.65,5.96,;-3.19,5.48,;-4.61,2.75,;-3.14,3.23,;1.45,3.73,;2.34,2.47,;3.87,2.61,;4.52,4.01,;5.99,4.46,;7.23,3.55,;5.99,6,;4.52,6.5,;3.63,5.27,;2.1,5.13,;7.24,6.9,;8.64,6.27,;7.09,8.43,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)S(=O)(=O)N2CCN(C)CC2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(2.69,3.87,;1.66,2.72,;2.14,1.26,;1.11,.11,;1.58,-1.35,;.68,-2.6,;1.58,-3.84,;1.11,-5.31,;3.05,-3.37,;4.38,-4.14,;5.71,-3.37,;5.71,-1.83,;4.38,-1.06,;3.05,-1.83,;7.05,-1.06,;6.28,.28,;8.38,-.29,;7.82,-2.39,;9.36,-2.39,;10.13,-3.72,;9.36,-5.06,;10.13,-6.39,;7.82,-5.06,;7.05,-3.72,;-.4,.43,;-1.43,-.71,;-.88,1.9,;-2.28,2.53,;-3.62,1.76,;-4.95,2.53,;-6.28,1.76,;-7.62,2.53,;-8.95,1.76,;-10.29,2.53,;-11.62,1.76,;-12.95,2.53,;-11.62,.22,;-12.95,-.55,;-10.29,-.55,;-10.29,-2.09,;-8.95,.22,;-2.12,4.06,;-3.15,5.2,;-2.68,6.67,;-1.17,6.99,;-.7,8.45,;-.14,5.84,;1.37,6.16,;1.99,7.57,;1.22,8.9,;3.52,7.41,;3.84,5.9,;5.25,5.28,;2.51,5.13,;3.28,3.8,;-.62,4.38,;.15,3.04,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2cnoc2c1 |r,wD:1.0,(-1.25,6.2,;-1.2,4.66,;.33,4.82,;1.23,3.57,;.61,2.17,;1.51,.92,;-.92,2.01,;-1.83,.76,;-1.34,-.7,;.16,-1.05,;.66,-2.51,;2.16,-2.87,;2.66,-4.33,;4.17,-4.6,;4.69,-6.05,;6.19,-6.4,;3.7,-7.23,;4.18,-8.69,;2.18,-6.95,;1.21,-8.15,;1.66,-5.5,;-3.29,1.24,;-4.63,.47,;-5.96,1.24,;-5.96,2.78,;-7.33,3.48,;-4.63,3.55,;-4.58,5.09,;-5.83,5.99,;-7.27,5.45,;-5.35,7.46,;-3.81,7.46,;-2.89,8.69,;-3.34,5.99,;-1.88,5.5,;-3.29,2.78,;-1.83,3.25,;2.77,3.71,;3.66,2.45,;5.19,2.59,;5.84,3.98,;7.31,4.44,;7.33,5.98,;5.87,6.48,;4.95,5.24,;3.42,5.1,)|
C[C@@H]1CN(c2c(C)n(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.83,5.51,;-.83,3.97,;.7,4.13,;1.6,2.89,;3.13,3.05,;4.19,1.93,;3.91,.42,;5.58,2.59,;6.94,1.86,;5.39,4.12,;6.39,5.29,;5.88,6.74,;4.36,7.03,;3.36,5.86,;3.87,4.4,;3.85,8.48,;2.34,8.76,;4.86,9.65,;.98,1.48,;1.86,.22,;-.55,1.32,;-1.46,.07,;-1.06,-1.41,;.43,-1.81,;.82,-3.3,;2.31,-3.7,;2.71,-5.19,;4.2,-5.58,;4.6,-7.07,;6.08,-7.47,;3.51,-8.16,;3.91,-9.65,;2.02,-7.76,;.93,-8.85,;1.62,-6.27,;-2.92,.55,;-4.26,-.22,;-5.59,.55,;-5.59,2.09,;-6.94,2.84,;-4.26,2.86,;-4.26,4.4,;-5.5,5.31,;-6.93,4.73,;-5.03,6.77,;-3.49,6.77,;-2.63,8.05,;-3.01,5.31,;-1.55,4.82,;-2.92,2.09,;-1.46,2.57,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCN(C)C(=O)C5)nc4C)c3n12 |r,wD:1.0,(.49,3.38,;.49,1.84,;2.03,2,;2.93,.76,;4.46,.92,;5.52,-.2,;6.91,.46,;8.27,-.27,;6.71,1.99,;7.71,3.16,;7.2,4.61,;5.68,4.89,;4.68,3.72,;5.2,2.27,;5.17,6.35,;3.66,6.63,;6.17,7.52,;2.3,-.65,;3.22,-1.89,;.77,-.81,;-.13,-2.06,;.32,-3.53,;1.81,-3.9,;2.27,-5.37,;3.77,-5.71,;4.29,-7.16,;3.3,-8.33,;3.82,-9.78,;2.84,-10.97,;5.34,-10.05,;5.84,-11.51,;6.33,-8.88,;7.83,-9.21,;5.81,-7.43,;-1.6,-1.58,;-2.93,-2.35,;-4.26,-1.58,;-4.26,-.04,;-5.65,.63,;-2.93,.73,;-2.93,2.27,;-4.26,3.04,;-5.6,2.27,;-4.26,4.58,;-2.93,5.35,;-2.93,6.89,;-4.26,7.66,;-5.6,6.89,;-6.93,7.66,;-6.93,9.2,;-8.27,9.97,;-5.6,9.97,;-5.6,11.51,;-4.26,9.2,;-1.6,4.58,;-1.6,3.04,;-.26,2.27,;-1.6,-.04,;-.13,.44,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2n(C)nc(C(O)=O)c2c1 |r,wD:1.0,(-1.9,6,;-1.86,4.46,;-.33,4.63,;.58,3.38,;-.05,1.97,;.86,.73,;-1.58,1.81,;-2.48,.57,;-2,-.89,;-.5,-1.25,;0,-2.7,;1.5,-3.07,;2,-4.52,;3.52,-4.8,;4.04,-6.25,;5.53,-6.6,;3.04,-7.42,;3.53,-8.88,;1.53,-7.15,;.55,-8.34,;1,-5.7,;-3.95,1.04,;-5.28,.27,;-6.62,1.04,;-6.62,2.58,;-7.99,3.29,;-5.28,3.35,;-5.24,4.89,;-6.48,5.8,;-7.93,5.26,;-6.01,7.26,;-4.47,7.26,;-3.54,8.49,;-3.99,5.8,;-2.53,5.31,;-3.95,2.58,;-2.48,3.06,;2.11,3.51,;3,2.25,;4.53,2.39,;5.18,3.79,;6.65,4.25,;7.99,3.48,;6.67,5.79,;5.22,6.28,;4.76,7.75,;3.26,8.09,;5.81,8.88,;4.29,5.05,;2.76,4.91,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.55,4.83,;-.64,3.58,;.9,3.74,;1.8,2.5,;1.17,1.09,;2.09,-.15,;-.36,.93,;-1.26,-.32,;-.73,-1.76,;.76,-2.13,;1.25,-3.6,;2.75,-3.93,;3.24,-5.39,;4.75,-5.68,;5.25,-7.14,;6.75,-7.46,;4.23,-8.3,;4.75,-9.75,;2.72,-8,;1.78,-9.22,;2.23,-6.54,;-2.73,.16,;-4.06,-.61,;-5.39,.16,;-5.39,1.7,;-6.75,2.42,;-4.06,2.47,;-4.01,5.28,;-5.35,6.05,;-6.64,5.22,;-5.35,7.59,;-4.01,8.36,;-2.68,7.59,;-2.68,6.05,;-1.31,5.34,;-2.73,1.7,;-1.26,2.18,;3.33,2.69,;4.29,1.49,;5.81,1.72,;6.37,3.15,;5.41,4.35,;5.66,5.87,;4.3,6.58,;4.07,8.1,;5.27,9.06,;2.63,8.67,;3.2,5.5,;1.68,5.75,;.91,7.09,;1.68,8.42,;.91,9.75,;-.63,9.75,;-1.4,8.42,;-.63,7.09,;3.89,4.12,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCN(CC5)C(C)=O)nc4C)c3n12 |r,wD:1.0,(1.16,3.38,;1.16,1.84,;2.69,2,;3.6,.76,;5.13,.92,;6.19,-.2,;7.58,.46,;8.93,-.27,;7.38,1.99,;8.38,3.16,;7.87,4.61,;6.35,4.89,;5.35,3.72,;5.86,2.27,;5.84,6.35,;4.32,6.63,;6.84,7.52,;2.97,-.65,;3.89,-1.89,;1.44,-.81,;.53,-2.06,;.99,-3.53,;2.48,-3.9,;2.93,-5.37,;4.44,-5.71,;4.96,-7.16,;3.97,-8.33,;4.49,-9.78,;3.51,-10.97,;6,-10.05,;6.51,-11.51,;7,-8.88,;8.5,-9.21,;6.47,-7.43,;-.93,-1.58,;-2.26,-2.35,;-3.6,-1.58,;-3.6,-.04,;-4.98,.63,;-2.26,.73,;-2.26,2.27,;-3.6,3.04,;-4.93,2.27,;-3.6,4.58,;-2.26,5.35,;-2.26,6.89,;-3.6,7.66,;-3.6,9.2,;-4.93,9.97,;-6.26,9.2,;-6.26,7.66,;-4.93,6.89,;-7.6,9.97,;-8.93,9.2,;-7.6,11.51,;-.93,4.58,;-.93,3.04,;.4,2.27,;-.93,-.04,;.53,.44,)|
CCn1nc2c(cccc2c1C(O)=O)N1C[C@@H](C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C1=O |r,wD:16.18,(4.51,9.39,;3.31,8.43,;3.53,6.91,;2.43,5.83,;3.11,4.45,;2.55,3.02,;3.5,1.81,;5.02,2.04,;5.59,3.47,;4.64,4.68,;4.89,6.2,;6.27,6.88,;7.56,6.03,;6.37,8.42,;1.02,2.84,;.11,4.09,;-1.42,3.93,;-1.42,5.47,;-2.05,2.52,;-1.14,1.27,;-2.05,.03,;-1.57,-1.44,;-.08,-1.8,;.4,-3.27,;1.9,-3.58,;2.32,-5.06,;3.84,-5.3,;4.39,-6.74,;5.89,-7.1,;3.42,-7.94,;3.93,-9.39,;1.9,-7.69,;.92,-8.89,;1.35,-6.25,;-3.51,.5,;-4.85,-.27,;-6.18,.5,;-6.18,2.04,;-7.55,2.75,;-4.85,2.81,;-4.85,4.35,;-6.09,5.26,;-7.56,4.79,;-5.62,6.72,;-4.08,6.72,;-3.18,7.98,;-3.6,5.26,;-2.14,4.77,;-3.51,2.04,;.39,1.43,;1.31,.2,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(N)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.56,5.66,;-1.56,4.12,;-.03,4.28,;.87,3.03,;2.41,3.19,;3.46,2.08,;4.85,2.74,;6.21,2,;4.66,4.26,;5.66,5.43,;5.15,6.88,;3.63,7.17,;2.63,6,;3.14,4.55,;6.15,8.05,;5.64,9.51,;7.66,7.77,;.25,1.62,;1.13,.36,;-1.28,1.46,;-2.19,.22,;-1.79,-1.27,;-.3,-1.67,;.1,-3.16,;1.58,-3.56,;1.98,-5.04,;3.47,-5.44,;3.87,-6.93,;5.36,-7.33,;2.78,-8.02,;3.18,-9.51,;1.29,-7.62,;.2,-8.71,;.89,-6.13,;-3.65,.69,;-4.99,-.08,;-6.32,.69,;-6.32,2.23,;-7.66,2.98,;-4.99,3,;-4.99,4.54,;-6.23,5.45,;-7.66,4.88,;-5.76,6.91,;-4.22,6.91,;-3.36,8.19,;-3.74,5.45,;-2.28,4.96,;-3.65,2.23,;-2.19,2.71,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc3C(=O)NCCn3c12 |r,wD:1.0,(-.63,5.48,;-.63,3.94,;.91,4.1,;1.81,2.86,;1.18,1.45,;2.08,.2,;-.35,1.29,;-1.25,.04,;-.78,-1.42,;.73,-1.75,;1.21,-3.21,;2.72,-3.54,;3.2,-5,;4.72,-5.27,;5.25,-6.72,;6.75,-7.04,;4.26,-7.9,;4.73,-9.36,;2.74,-7.63,;1.77,-8.83,;2.21,-6.18,;-2.72,.52,;-4.05,-.25,;-5.38,.52,;-5.38,2.06,;-6.75,2.76,;-4.05,2.83,;-4.05,4.37,;-5.3,5.27,;-6.74,4.74,;-4.82,6.74,;-3.28,6.74,;-2.34,7.96,;-2.8,5.27,;-1.32,4.86,;-2.72,2.06,;-1.25,2.53,;3.34,3,;4.24,1.75,;5.77,1.9,;6.41,3.3,;5.51,4.55,;5.85,6.06,;4.52,6.84,;4.21,8.35,;5.37,9.36,;2.75,8.83,;1.6,7.81,;1.91,6.3,;3.37,5.82,;3.98,4.4,)|
CCn1nc(C(O)=O)c2cccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12 |r,wD:15.15,(-.05,5.63,;.99,6.77,;2.49,6.44,;3.65,7.46,;4.98,6.68,;6.38,7.31,;7.63,6.4,;6.54,8.84,;4.64,5.17,;5.53,3.92,;4.89,2.52,;3.35,2.37,;2.46,3.63,;.93,3.44,;.03,4.69,;-1.5,4.52,;-1.55,6.06,;-2.13,3.12,;-1.22,1.87,;-2.13,.63,;-1.67,-.84,;-.17,-1.21,;.31,-2.67,;1.82,-3,;2.28,-4.47,;3.79,-4.77,;4.29,-6.22,;5.79,-6.53,;3.27,-7.38,;3.77,-8.84,;1.76,-7.08,;.79,-8.28,;1.26,-5.63,;-3.59,1.1,;-4.93,.33,;-6.26,1.1,;-6.26,2.64,;-7.63,3.35,;-4.93,3.41,;-4.88,4.95,;-6.13,5.86,;-7.56,5.28,;-5.65,7.32,;-4.11,7.32,;-3.23,8.58,;-3.64,5.86,;-2.16,5.41,;-3.59,2.64,;.31,2.03,;1.23,.8,;3.11,5.03,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)S(=O)(=O)N2CCN(CC2)C(C)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(1.85,3.8,;.81,2.66,;1.29,1.19,;.26,.05,;.74,-1.41,;-.17,-2.66,;.74,-3.91,;.26,-5.37,;2.2,-3.43,;3.53,-4.2,;4.87,-3.43,;4.87,-1.89,;3.53,-1.12,;2.2,-1.89,;6.2,-1.12,;5.43,.21,;7.54,-.35,;6.97,-2.45,;8.51,-2.45,;9.28,-3.79,;8.51,-5.12,;6.97,-5.12,;6.2,-3.79,;9.28,-6.46,;8.51,-7.79,;10.82,-6.46,;-1.25,.37,;-2.28,-.77,;-1.72,1.83,;-3.13,2.46,;-4.46,1.69,;-5.8,2.46,;-7.13,1.69,;-8.46,2.46,;-9.8,1.69,;-11.13,2.46,;-12.46,1.69,;-13.8,2.46,;-12.46,.15,;-13.8,-.62,;-11.13,-.62,;-11.13,-2.16,;-9.8,.15,;-2.97,3.99,;-4,5.14,;-3.52,6.6,;-2.02,6.92,;-1.54,8.39,;-.99,5.78,;.52,6.1,;1.15,7.5,;.38,8.84,;2.68,7.34,;3,5.84,;4.41,5.21,;1.67,5.07,;2.44,3.73,;-1.46,4.31,;-.69,2.98,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2c(nn(C)c2c1)C(O)=O |r,wD:1.0,(-2.57,6.2,;-2.52,4.66,;-.99,4.82,;-.09,3.57,;-.71,2.17,;.19,.92,;-2.25,2.01,;-3.15,.76,;-2.66,-.7,;-1.17,-1.05,;-.66,-2.51,;.83,-2.87,;1.33,-4.33,;2.85,-4.6,;3.37,-6.05,;4.87,-6.4,;2.37,-7.23,;2.86,-8.69,;.86,-6.95,;-.11,-8.15,;.34,-5.5,;-4.62,1.24,;-5.95,.47,;-7.28,1.24,;-7.28,2.78,;-8.65,3.48,;-5.95,3.55,;-5.91,5.09,;-7.15,5.99,;-8.59,5.45,;-6.68,7.46,;-5.14,7.46,;-4.21,8.69,;-4.66,5.99,;-3.2,5.5,;-4.62,2.78,;-3.15,3.25,;1.45,3.71,;2.33,2.45,;3.87,2.59,;4.51,3.98,;5.98,4.44,;6.01,5.98,;4.55,6.48,;4.09,7.95,;3.63,5.24,;2.09,5.1,;7.32,3.67,;8.65,4.44,;7.32,2.13,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)NCc2ccccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.83,4.22,;-.83,2.68,;.7,2.84,;1.6,1.59,;3.13,1.76,;4.19,.64,;5.58,1.3,;6.94,.56,;5.39,2.83,;6.39,4,;5.88,5.45,;4.36,5.73,;3.36,4.56,;3.87,3.11,;3.85,7.18,;4.86,8.35,;2.34,7.47,;1.83,8.92,;.31,9.21,;-.2,10.66,;-1.71,10.94,;-2.71,9.77,;-2.2,8.32,;-.69,8.04,;.98,.19,;1.86,-1.08,;-.55,.03,;-1.46,-1.22,;-1.06,-2.71,;.43,-3.11,;.82,-4.59,;2.31,-4.99,;2.71,-6.48,;4.2,-6.88,;4.6,-8.37,;6.08,-8.76,;3.51,-9.45,;3.91,-10.94,;2.02,-9.06,;.93,-10.14,;1.62,-7.57,;-2.92,-.74,;-4.26,-1.51,;-5.59,-.74,;-5.59,.8,;-6.94,1.55,;-4.26,1.57,;-4.26,3.11,;-5.5,4.01,;-6.93,3.44,;-5.03,5.48,;-3.49,5.48,;-2.63,6.76,;-3.01,4.01,;-1.55,3.52,;-2.92,.8,;-1.46,1.27,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(F)c2c(c[nH]c12)C(O)=O |r,wD:1.0,(-1.5,6.06,;-1.5,4.52,;.03,4.68,;.94,3.44,;.31,2.03,;1.21,.78,;-1.22,1.87,;-2.12,.62,;-1.65,-.84,;-.15,-1.17,;.34,-2.63,;1.84,-2.96,;2.33,-4.42,;3.85,-4.69,;4.37,-6.14,;5.88,-6.46,;3.38,-7.32,;3.86,-8.78,;1.87,-7.05,;.9,-8.25,;1.34,-5.6,;-3.59,1.1,;-4.92,.33,;-6.26,1.1,;-6.26,2.64,;-7.63,3.35,;-4.92,3.41,;-4.92,4.95,;-6.17,5.85,;-7.61,5.32,;-5.69,7.32,;-4.15,7.32,;-3.21,8.54,;-3.68,5.85,;-2.19,5.44,;-3.59,2.64,;-2.12,3.12,;2.47,3.58,;3.37,2.33,;4.9,2.48,;5.54,3.88,;7.07,4.03,;4.64,5.13,;4.97,6.64,;3.65,7.42,;2.49,6.4,;3.11,4.99,;6.39,7.25,;6.56,8.78,;7.63,6.34,)|
CCn1ncc2cc(cc(N3CCCn4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |(1.91,5.56,;3.17,6.28,;4.48,5.43,;5.88,5.97,;6.82,4.75,;5.97,3.4,;6.33,2,;5.25,.88,;3.8,1.28,;3.4,2.81,;1.91,3.22,;1.64,4.7,;.29,5.43,;-1.1,4.84,;-1.55,3.35,;-.7,2.14,;-1.55,.88,;-1.1,-.61,;.43,-1.01,;.83,-2.5,;2.32,-2.9,;2.68,-4.34,;4.21,-4.79,;4.57,-6.24,;6.1,-6.64,;3.49,-7.36,;3.89,-8.85,;2,-6.87,;.97,-8.08,;1.69,-5.43,;-3.04,1.37,;-4.34,.61,;-5.65,1.33,;-5.7,2.86,;-7.14,3.67,;-4.39,3.67,;-4.34,5.2,;-3.13,6.15,;-1.6,5.65,;-3.58,7.54,;-5.11,7.54,;-6.01,8.85,;-5.61,6.1,;-7.05,5.56,;-2.99,2.9,;.88,2.05,;1.51,.61,;4.48,3.85,;5.61,-.52,;4.43,-1.69,;7.14,-1.01,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)N(C)Cc2cccnc2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.83,4.22,;-.83,2.68,;.7,2.84,;1.6,1.59,;3.13,1.76,;4.19,.64,;5.58,1.3,;6.94,.56,;5.39,2.83,;6.39,4,;5.88,5.45,;4.36,5.73,;3.36,4.56,;3.87,3.11,;3.85,7.18,;4.86,8.35,;2.34,7.47,;1.34,6.3,;1.83,8.92,;.31,9.21,;-.2,10.66,;-1.71,10.94,;-2.71,9.77,;-2.2,8.32,;-.69,8.04,;.98,.19,;1.86,-1.08,;-.55,.03,;-1.46,-1.22,;-1.06,-2.71,;.43,-3.11,;.82,-4.59,;2.31,-4.99,;2.71,-6.48,;4.2,-6.88,;4.6,-8.37,;6.08,-8.76,;3.51,-9.45,;3.91,-10.94,;2.02,-9.06,;.93,-10.14,;1.62,-7.57,;-2.92,-.74,;-4.26,-1.51,;-5.59,-.74,;-5.59,.8,;-6.94,1.55,;-4.26,1.57,;-4.26,3.11,;-5.5,4.01,;-6.93,3.44,;-5.03,5.48,;-3.49,5.48,;-2.63,6.76,;-3.01,4.01,;-1.55,3.52,;-2.92,.8,;-1.46,1.27,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(C)nc(C(O)=O)c12 |r,wD:1.0,(-.82,6.18,;-.82,4.64,;.71,4.8,;1.62,3.56,;.99,2.15,;1.92,.92,;-.54,1.99,;-1.45,.74,;-.96,-.72,;.54,-1.08,;1.05,-2.53,;2.55,-2.89,;3.01,-4.36,;4.53,-4.6,;5.08,-6.04,;6.58,-6.38,;4.11,-7.23,;4.61,-8.69,;2.59,-6.99,;1.62,-8.19,;2.04,-5.55,;-2.91,1.22,;-4.24,.45,;-5.58,1.22,;-5.58,2.76,;-6.94,3.48,;-4.24,3.53,;-4.24,5.07,;-5.49,5.97,;-6.93,5.43,;-5.01,7.44,;-3.47,7.44,;-2.58,8.69,;-3,5.97,;-1.53,5.5,;-2.91,2.76,;-1.45,3.23,;3.15,3.72,;4.09,2.49,;5.61,2.7,;6.2,4.12,;5.27,5.34,;5.55,6.85,;6.94,7.52,;4.19,7.59,;3.08,6.53,;1.56,6.81,;1.05,8.26,;.56,5.64,;3.74,5.14,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)NCc2cccnc2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.83,4.22,;-.83,2.68,;.7,2.84,;1.6,1.59,;3.13,1.76,;4.19,.64,;5.58,1.3,;6.94,.56,;5.39,2.83,;6.39,4,;5.88,5.45,;4.36,5.73,;3.36,4.56,;3.87,3.11,;3.85,7.18,;4.86,8.35,;2.34,7.47,;1.83,8.92,;.31,9.21,;-.2,10.66,;-1.71,10.94,;-2.71,9.77,;-2.2,8.32,;-.69,8.04,;.98,.19,;1.86,-1.08,;-.55,.03,;-1.46,-1.22,;-1.06,-2.71,;.43,-3.11,;.82,-4.59,;2.31,-4.99,;2.71,-6.48,;4.2,-6.88,;4.6,-8.37,;6.08,-8.76,;3.51,-9.45,;3.91,-10.94,;2.02,-9.06,;.93,-10.14,;1.62,-7.57,;-2.92,-.74,;-4.26,-1.51,;-5.59,-.74,;-5.59,.8,;-6.94,1.55,;-4.26,1.57,;-4.26,3.11,;-5.5,4.01,;-6.93,3.44,;-5.03,5.48,;-3.49,5.48,;-2.63,6.76,;-3.01,4.01,;-1.55,3.52,;-2.92,.8,;-1.46,1.27,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2n[nH]c(=O)o2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,4.58,;-.8,3.04,;.73,3.2,;1.64,1.95,;3.17,2.14,;4.2,1,;5.6,1.63,;6.94,.86,;5.44,3.16,;6.47,4.3,;6,5.77,;4.49,6.09,;3.46,4.94,;3.94,3.48,;4.01,7.55,;4.91,8.79,;4.01,10.04,;2.54,9.56,;1.21,10.33,;2.54,8.02,;1.01,.55,;1.96,-.67,;-.52,.39,;-1.42,-.86,;-.94,-2.32,;.55,-2.71,;1.04,-4.17,;2.55,-4.5,;3.05,-5.95,;2.03,-7.11,;2.53,-8.57,;1.52,-9.73,;4.04,-8.87,;4.51,-10.33,;5.06,-7.71,;6.57,-8.01,;4.56,-6.25,;-2.89,-.38,;-4.22,-1.15,;-5.56,-.38,;-5.56,1.16,;-6.94,1.83,;-4.22,1.93,;-4.22,3.47,;-5.47,4.37,;-6.91,3.82,;-4.99,5.84,;-3.45,5.84,;-2.54,7.08,;-2.98,4.37,;-1.51,3.91,;-2.89,1.16,;-1.42,1.63,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCOCC5)c4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-1.45,4.08,;-1.45,2.54,;.08,2.7,;.98,1.45,;.36,.05,;1.29,-1.18,;-1.17,-.11,;-2.08,-1.36,;-1.59,-2.82,;-.1,-3.18,;.42,-4.64,;1.92,-4.99,;2.38,-6.46,;3.9,-6.7,;4.45,-8.14,;5.95,-8.49,;3.47,-9.34,;3.97,-10.79,;1.95,-9.09,;.98,-10.29,;1.4,-7.65,;-3.54,-.88,;-4.88,-1.65,;-6.21,-.88,;-6.21,.66,;-7.57,1.38,;-4.88,1.43,;-4.88,2.97,;-6.12,3.87,;-7.57,3.33,;-5.65,5.34,;-4.11,5.34,;-3.21,6.59,;-3.85,7.99,;-2.96,9.24,;-3.59,10.64,;-5.13,10.79,;-6.02,9.54,;-5.38,8.14,;-3.63,3.87,;-2.17,3.4,;-3.54,.66,;-2.08,1.13,;2.51,1.61,;3.45,.39,;4.98,.59,;5.57,2.02,;4.63,3.24,;4.91,4.75,;3.56,5.49,;2.44,4.43,;.93,4.71,;3.1,3.04,;6.3,5.41,;7.57,4.54,;6.42,6.95,)|
C[C@@H]1CN(c2cn(C)c3ccccc23)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.85,6.2,;-.8,4.66,;.73,4.82,;1.63,3.57,;3.17,3.71,;4.2,2.56,;5.61,3.19,;6.95,2.43,;5.45,4.72,;6.48,5.86,;6,7.33,;4.49,7.65,;3.46,6.5,;3.94,5.04,;1.01,2.17,;1.94,.94,;-.52,2.01,;-1.43,.76,;-.98,-.71,;.52,-1.07,;1.02,-2.52,;2.52,-2.88,;2.98,-4.35,;4.49,-4.62,;5.01,-6.07,;6.52,-6.37,;4.02,-7.24,;4.49,-8.71,;2.5,-6.97,;1.52,-8.16,;1.98,-5.52,;-2.89,1.24,;-4.23,.47,;-5.56,1.24,;-5.56,2.78,;-6.92,3.5,;-4.23,3.55,;-4.23,5.09,;-5.47,5.99,;-6.95,5.54,;-5,7.46,;-3.46,7.46,;-2.56,8.71,;-2.98,5.99,;-1.52,5.5,;-2.89,2.78,;-1.43,3.25,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)cc(C(O)=O)c12 |r,wD:8.8,(7.81,2.8,;6.88,4.03,;5.35,3.88,;4.71,2.48,;3.18,2.33,;2.28,3.58,;.75,3.44,;-.15,4.68,;-1.69,4.52,;-1.69,6.06,;-2.31,3.12,;-1.41,1.87,;-2.31,.62,;-1.84,-.84,;-.34,-1.17,;.15,-2.63,;1.66,-2.96,;2.14,-4.42,;3.66,-4.69,;4.19,-6.14,;5.69,-6.46,;3.19,-7.32,;3.67,-8.78,;1.68,-7.05,;.71,-8.25,;1.15,-5.6,;-3.78,1.1,;-5.11,.33,;-6.44,1.1,;-6.44,2.64,;-7.81,3.35,;-5.11,3.41,;-5.11,4.95,;-6.36,5.85,;-7.8,5.32,;-5.88,7.32,;-4.34,7.32,;-3.4,8.54,;-3.87,5.85,;-2.38,5.44,;-3.78,2.64,;.12,2.03,;1.02,.78,;2.92,4.99,;2.31,6.4,;.8,6.73,;3.46,7.42,;4.79,6.64,;6.2,7.25,;6.37,8.78,;7.44,6.34,;4.45,5.13,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12 |r,wD:1.0,(-.85,5.37,;-.8,3.84,;.73,4,;1.64,2.75,;3.16,2.95,;4.19,1.8,;5.6,2.43,;6.94,1.67,;5.44,3.96,;6.47,5.11,;5.99,6.57,;4.49,6.89,;3.46,5.75,;3.93,4.28,;4.01,8.36,;2.51,8.68,;5.04,9.5,;1.01,1.34,;1.95,.12,;-.52,1.18,;-1.43,-.06,;-.93,-1.52,;.57,-1.89,;1.02,-3.36,;2.53,-3.69,;2.99,-5.16,;4.5,-5.43,;5.03,-6.87,;6.54,-7.19,;4.05,-8.05,;4.58,-9.5,;2.53,-7.79,;1.54,-8.97,;2,-6.35,;-2.89,.41,;-4.23,-.36,;-5.56,.41,;-5.56,1.95,;-6.94,2.64,;-4.23,2.72,;-4.18,4.26,;-5.43,5.17,;-6.87,4.62,;-4.95,6.63,;-3.41,6.63,;-2.93,5.17,;-1.47,4.69,;-2.89,1.95,;-1.43,2.43,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)N(C)C)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,5.07,;-.8,3.53,;.74,3.69,;1.64,2.44,;3.17,2.59,;4.2,1.45,;5.61,2.08,;6.92,1.27,;5.45,3.61,;6.48,4.75,;6,6.22,;4.5,6.54,;3.47,5.39,;3.94,3.93,;3.96,7.98,;5.02,9.1,;2.47,8.34,;1.4,7.23,;2.03,9.82,;1.01,1.03,;1.95,-.19,;-.52,.87,;-1.42,-.37,;-.92,-1.83,;.58,-2.18,;1.1,-3.63,;2.6,-3.98,;3.07,-5.45,;4.58,-5.74,;5.08,-7.2,;6.59,-7.52,;4.07,-8.36,;4.56,-9.82,;2.56,-8.06,;1.6,-9.27,;2.06,-6.61,;-2.89,.1,;-4.22,-.67,;-5.55,.1,;-5.55,1.64,;-6.92,2.35,;-4.22,2.41,;-4.22,3.95,;-5.47,4.86,;-6.9,4.29,;-4.99,6.32,;-3.45,6.32,;-2.53,7.55,;-2.97,4.86,;-1.51,4.37,;-2.89,1.64,;-1.42,2.12,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(F)c2cc[nH]c12 |r,wD:1.0,(-1.22,6.18,;-1.22,4.64,;.31,4.8,;1.22,3.56,;.59,2.15,;1.48,.9,;-.94,1.99,;-1.85,.74,;-1.37,-.72,;.13,-1.05,;.62,-2.51,;2.12,-2.84,;2.61,-4.3,;4.12,-4.57,;4.65,-6.02,;6.16,-6.34,;3.66,-7.2,;4.13,-8.66,;2.14,-6.93,;1.18,-8.13,;1.62,-5.48,;-3.31,1.22,;-4.65,.45,;-5.98,1.22,;-5.98,2.76,;-7.35,3.47,;-4.65,3.53,;-4.65,5.07,;-5.89,5.98,;-7.34,5.45,;-5.42,7.44,;-3.88,7.44,;-2.94,8.66,;-3.4,5.98,;-1.92,5.56,;-3.31,2.76,;-1.85,3.24,;2.75,3.7,;3.64,2.45,;5.18,2.6,;5.81,4,;7.35,4.15,;4.92,5.25,;5.25,6.76,;3.93,7.54,;2.77,6.52,;3.39,5.11,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cc(C(O)=O)c3ccn(C)c3c2)cc(C)c1Cl |(5.27,-6.44,;3.77,-6.06,;3.42,-4.56,;1.95,-4.11,;1.6,-2.61,;.11,-2.21,;-.29,-.72,;-1.76,-.26,;-2.26,1.2,;-1.36,2.44,;.18,2.37,;.8,.96,;1.19,3.53,;.92,5.05,;-.44,5.78,;-1.85,5.17,;-2.26,3.69,;-3.73,3.21,;-5.06,3.98,;-6.39,3.21,;-7.76,3.92,;-6.39,1.67,;-5.06,.9,;-3.73,1.67,;-5.06,5.52,;-3.73,6.29,;-2.39,5.52,;-3.73,7.83,;-5.06,8.6,;-6.39,7.83,;-6.39,6.29,;-7.73,5.52,;2.68,3.14,;3.03,1.64,;4.51,1.19,;4.89,-.3,;3.8,-1.39,;6.38,-.71,;5.63,2.24,;7.17,2.11,;7.76,3.53,;6.6,4.54,;6.6,6.08,;5.28,3.74,;3.81,4.19,;.83,-5.17,;1.18,-6.67,;.09,-7.75,;2.65,-7.11,;3.05,-8.6,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(=O)N2CCCC2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.8,5.07,;-.8,3.53,;.74,3.69,;1.64,2.45,;3.17,2.6,;4.2,1.46,;5.61,2.08,;6.92,1.27,;5.45,3.61,;6.48,4.76,;6,6.22,;4.5,6.54,;3.47,5.4,;3.94,3.93,;3.96,7.99,;5.02,9.1,;2.47,8.35,;1.99,9.81,;.45,9.81,;-.03,8.35,;1.22,7.44,;1.01,1.04,;1.95,-.19,;-.52,.88,;-1.42,-.37,;-.92,-1.82,;.58,-2.17,;1.1,-3.62,;2.6,-3.97,;3.07,-5.44,;4.58,-5.73,;5.08,-7.19,;6.59,-7.52,;4.07,-8.35,;4.56,-9.81,;2.56,-8.06,;1.6,-9.26,;2.06,-6.6,;-2.89,.11,;-4.22,-.66,;-5.55,.11,;-5.55,1.65,;-6.92,2.36,;-4.22,2.42,;-4.22,3.96,;-5.47,4.86,;-6.9,4.3,;-4.99,6.33,;-3.45,6.33,;-2.53,7.56,;-2.97,4.86,;-1.51,4.38,;-2.89,1.65,;-1.42,2.12,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncc(C)cn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,3.79,;-.81,2.25,;.72,2.41,;1.62,1.16,;3.16,1.32,;4.22,.21,;5.61,.87,;6.96,.13,;5.4,2.39,;6.41,3.57,;5.89,5.02,;4.38,5.3,;3.38,4.13,;3.89,2.68,;3.86,6.75,;4.86,7.92,;4.35,9.37,;2.84,9.65,;2.32,11.11,;1.84,8.48,;2.35,7.03,;1,-.25,;1.91,-1.48,;-.53,-.41,;-1.44,-1.65,;-.99,-3.12,;.51,-3.5,;.96,-4.97,;2.46,-5.3,;2.99,-6.75,;1.99,-7.93,;2.51,-9.38,;1.54,-10.57,;4.03,-9.65,;4.53,-11.11,;5.02,-8.47,;6.53,-8.81,;4.5,-7.03,;-2.9,-1.18,;-4.24,-1.95,;-5.57,-1.18,;-5.57,.36,;-6.96,1.03,;-4.24,1.13,;-4.24,2.67,;-5.48,3.58,;-6.95,3.1,;-5.01,5.04,;-3.47,5.04,;-2.7,6.38,;-2.99,3.58,;-1.53,3.1,;-2.9,.36,;-1.44,.84,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCOCC5)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.63,4.05,;-.63,2.51,;.91,2.67,;1.81,1.42,;1.18,.02,;2.08,-1.24,;-.35,-.14,;-1.25,-1.39,;-.78,-2.86,;.73,-3.19,;1.21,-4.65,;2.72,-4.98,;3.2,-6.44,;4.72,-6.7,;5.25,-8.15,;6.75,-8.47,;4.26,-9.33,;4.73,-10.8,;2.74,-9.06,;1.77,-10.26,;2.21,-7.62,;-2.72,-.91,;-4.05,-1.68,;-5.38,-.91,;-5.38,.63,;-6.75,1.33,;-4.05,1.4,;-4.05,2.94,;-5.3,3.84,;-6.74,3.31,;-4.82,5.31,;-3.28,5.31,;-2.34,6.53,;-2.93,7.95,;-1.99,9.17,;-2.58,10.59,;-4.1,10.8,;-5.04,9.58,;-4.46,8.15,;-2.8,3.84,;-1.32,3.42,;-2.72,.63,;-1.25,1.1,;3.34,1.57,;4.24,.32,;5.77,.46,;6.67,-.79,;6.41,1.87,;5.51,3.12,;5.85,4.62,;4.52,5.4,;4.37,6.94,;2.97,7.57,;5.63,7.83,;3.37,4.38,;1.86,4.72,;3.98,2.97,)|
Cc1nn(CC(O)=O)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccccc1 |(-1.24,4.36,;-2.71,4.82,;-3.18,6.28,;-4.72,6.28,;-5.67,7.5,;-5.09,8.93,;-3.56,9.14,;-6.03,10.14,;-5.2,4.82,;-6.65,4.32,;-3.95,3.91,;-4,2.37,;-5.33,1.6,;-6.69,2.33,;-5.33,.06,;-4,-.71,;-2.66,.06,;-1.2,-.41,;-.68,-1.86,;.8,-2.27,;1.21,-3.75,;2.69,-4.16,;3.12,-5.64,;4.59,-6.13,;4.89,-7.63,;6.38,-8.03,;3.74,-8.66,;4.15,-10.14,;2.28,-8.17,;1.26,-9.32,;1.97,-6.66,;-.29,.83,;1.25,.77,;1.86,-.65,;2.26,1.92,;1.99,3.44,;.63,4.17,;-.79,3.56,;-1.2,2.08,;-2.66,1.6,;3.75,1.53,;4.88,2.57,;6.35,2.11,;6.69,.61,;5.56,-.43,;4.09,.03,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.51,4.89,;-.61,3.64,;.92,3.8,;1.83,2.55,;1.2,1.15,;2.11,-.1,;-.33,.99,;-1.24,-.26,;-.84,-1.75,;.65,-2.15,;1.05,-3.63,;2.54,-4.03,;2.94,-5.52,;1.85,-6.61,;2.25,-8.1,;1.16,-9.18,;3.73,-8.49,;4.13,-9.98,;4.82,-7.41,;6.31,-7.8,;4.42,-5.92,;-2.7,.22,;-4.03,-.55,;-5.37,.22,;-5.37,1.76,;-6.7,2.53,;-4.03,2.53,;-4.03,6.46,;-5.37,7.23,;-6.7,6.46,;-5.37,8.77,;-4.03,9.54,;-2.7,8.77,;-2.7,7.23,;-1.37,6.46,;-2.7,1.76,;-1.24,2.23,;3.36,2.72,;4.26,1.47,;5.8,1.63,;6.7,.38,;6.42,3.04,;5.52,4.28,;5.84,5.79,;4.5,6.56,;4.34,8.09,;5.59,9,;2.94,8.72,;3.36,5.53,;1.85,5.85,;1.38,7.31,;2.15,8.65,;1.38,9.98,;-.16,9.98,;-.93,8.65,;-.16,7.31,;3.99,4.12,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN2CCN(C)CC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.77,5.53,;-3.77,3.99,;-2.24,4.15,;-1.33,2.91,;-1.96,1.5,;-1.06,.25,;-3.49,1.34,;-4.4,.09,;-3.92,-1.37,;-2.42,-1.7,;-1.93,-3.16,;-.43,-3.49,;.06,-4.95,;1.58,-5.22,;2.1,-6.67,;3.61,-6.99,;1.11,-7.85,;1.58,-9.31,;-.41,-7.58,;-1.37,-8.78,;-.93,-6.13,;-5.86,.57,;-7.19,-.2,;-8.53,.57,;-8.53,2.11,;-9.9,2.81,;-7.19,2.88,;-7.19,4.42,;-8.44,5.32,;-9.89,4.79,;-7.96,6.79,;-6.42,6.79,;-5.49,8.01,;-5.95,5.32,;-4.47,4.91,;-5.86,2.11,;-4.4,2.58,;.2,3.05,;1.09,1.8,;2.63,1.95,;3.52,.69,;2.88,-.71,;3.78,-1.96,;5.31,-1.81,;6.24,-3.04,;7.77,-2.85,;8.37,-1.43,;9.9,-1.24,;7.44,-.2,;5.91,-.39,;3.27,3.35,;2.37,4.6,;2.7,6.11,;1.38,6.89,;1.23,8.42,;-.17,9.06,;2.48,9.31,;.22,5.87,;-1.28,6.2,;.84,4.45,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCN(C)CC5)c4C)c3n12)c1cccc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-1.46,3.36,;-1.46,1.82,;.08,1.98,;.98,.74,;.35,-.67,;1.26,-1.92,;-1.18,-.83,;-2.08,-2.08,;-1.6,-3.54,;-.1,-3.89,;.34,-5.36,;1.84,-5.71,;2.28,-7.18,;3.81,-7.42,;4.37,-8.85,;5.88,-9.13,;3.41,-10.05,;3.89,-11.51,;1.88,-9.82,;.91,-11.02,;1.32,-8.39,;-3.55,-1.6,;-4.88,-2.37,;-6.21,-1.6,;-6.21,-.06,;-7.57,.67,;-4.88,.71,;-4.82,2.25,;-6.07,3.15,;-7.51,2.61,;-5.59,4.62,;-4.05,4.62,;-3.13,5.85,;-3.74,7.26,;-2.81,8.5,;-3.42,9.91,;-4.94,10.1,;-5.55,11.51,;-5.87,8.86,;-5.26,7.45,;-3.58,3.15,;-2.13,2.63,;-3.55,-.06,;-2.08,.41,;2.51,.9,;3.45,-.33,;4.98,-.13,;5.57,1.3,;4.63,2.52,;4.91,4.03,;3.56,4.77,;2.44,3.71,;.93,3.99,;3.1,2.32,;6.3,4.7,;6.42,6.23,;7.57,3.82,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cn(C)c4C)c3n12)c1cc(OCc2ccccc2)cc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-3.76,5.21,;-2.99,3.87,;-1.49,4.22,;-.44,3.09,;-.9,1.62,;.01,.37,;-2.4,1.27,;-3.23,-.02,;-2.77,-1.49,;-1.27,-1.84,;-.8,-3.31,;.7,-3.66,;1.17,-5.13,;2.69,-5.38,;3.23,-6.83,;4.73,-7.16,;2.25,-8.01,;2.75,-9.47,;.73,-7.76,;-.2,-8.98,;.19,-6.31,;-4.88,.3,;-6.21,-.47,;-7.55,.3,;-7.55,1.84,;-8.88,2.6,;-6.21,2.61,;-6.21,3.98,;-4.97,4.89,;-3.63,4.12,;-5.44,6.35,;-6.98,6.35,;-7.75,7.69,;-7.46,4.89,;-8.95,4.49,;-4.88,1.84,;-3.45,2.4,;1.08,3.33,;1.85,2,;3.39,2,;4.33,.78,;5.87,.78,;6.64,-.55,;8.18,-.55,;8.95,-1.89,;8.18,-3.22,;6.64,-3.22,;5.87,-1.89,;4.16,3.33,;3.39,4.67,;3.86,6.13,;5.28,6.74,;2.62,7.04,;1.37,6.13,;1.85,4.67,;2.46,8.57,;1.06,9.2,;3.71,9.47,)|
CC(C)Cn1cnc(n1)-c1ccc2n(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c2c1 |r,wD:19.20,(3.79,12.21,;3.31,10.75,;1.8,10.43,;4.34,9.6,;3.86,8.14,;2.4,7.66,;2.4,6.12,;3.86,5.65,;4.77,6.89,;4.38,4.19,;5.89,3.91,;6.41,2.46,;5.41,1.29,;5.61,-.24,;6.96,-.97,;4.22,-.9,;3.16,.22,;1.62,.06,;.72,1.3,;-.81,1.14,;-.81,2.68,;-1.44,-.27,;-.53,-1.51,;-1.44,-2.76,;-.99,-4.23,;.51,-4.6,;.96,-6.07,;2.46,-6.41,;2.99,-7.86,;1.99,-9.03,;2.51,-10.48,;1.54,-11.67,;4.03,-10.76,;4.53,-12.21,;5.02,-9.58,;6.53,-9.91,;4.5,-8.13,;-2.9,-2.28,;-4.24,-3.05,;-5.57,-2.28,;-5.57,-.74,;-6.96,-.07,;-4.24,.03,;-4.24,1.57,;-5.48,2.47,;-6.95,2,;-5.01,3.94,;-3.47,3.94,;-2.7,5.27,;-2.99,2.47,;-1.53,2,;-2.9,-.74,;1,-1.35,;1.91,-2.59,;3.89,1.57,;3.38,3.02,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C(O)=O)c2ncccc2c1 |r,wD:1.0,(-1.54,6.22,;-1.49,4.73,;.05,4.86,;.95,3.64,;.23,2.24,;1.22,.93,;-1.27,2.1,;-2.17,.75,;-1.67,-.66,;-.14,-1.02,;.32,-2.46,;1.85,-2.83,;2.31,-4.27,;3.84,-4.63,;4.3,-6.08,;5.88,-6.4,;3.3,-7.26,;3.75,-8.7,;1.81,-6.9,;.77,-8.12,;1.31,-5.45,;-3.66,1.29,;-4.97,.52,;-6.29,1.24,;-6.33,2.83,;-7.78,3.59,;-4.97,3.59,;-4.97,5.18,;-6.24,6.04,;-7.69,5.54,;-5.74,7.53,;-4.21,7.53,;-3.26,8.7,;-3.75,6.08,;-2.24,5.68,;-3.62,2.83,;-2.17,3.28,;2.49,3.78,;3.39,2.55,;4.93,2.74,;5.83,1.42,;5.11,-.02,;7.42,1.61,;5.56,4.14,;7.14,4.27,;7.78,5.72,;6.87,6.9,;5.34,6.8,;4.66,5.36,;3.12,5.18,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3nccs3)c12 |r,wD:1.0,(-.63,5.52,;-.63,3.98,;.9,4.14,;1.81,2.89,;1.18,1.48,;2.11,.26,;-.35,1.32,;-1.25,.08,;-.75,-1.38,;.75,-1.73,;1.27,-3.18,;2.77,-3.53,;3.24,-4.99,;4.75,-5.29,;5.25,-6.74,;6.75,-7.07,;4.24,-7.91,;4.73,-9.37,;2.73,-7.61,;1.77,-8.82,;2.23,-6.16,;-2.72,.55,;-4.05,-.22,;-5.39,.55,;-5.39,2.09,;-6.75,2.8,;-4.05,2.86,;-4.05,4.4,;-5.3,5.31,;-6.73,4.75,;-4.82,6.77,;-3.28,6.77,;-2.36,8.01,;-2.81,5.31,;-1.35,4.82,;-2.72,2.09,;-1.25,2.57,;3.34,3.04,;4.27,1.82,;5.8,2.01,;6.4,3.43,;5.47,4.65,;5.76,6.17,;4.41,6.91,;4.22,8.44,;2.8,9.04,;5.45,9.37,;3.29,5.86,;1.77,6.15,;.69,7.24,;.69,8.78,;-.78,9.25,;-1.68,8.01,;-.78,6.76,;3.94,4.46,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2nc(cn2c1)C(O)=O |r,wD:1.0,(-2.48,6.23,;-2.43,4.73,;-.89,4.87,;.01,3.64,;-.71,2.24,;.28,.93,;-2.21,2.11,;-3.11,.75,;-2.61,-.66,;-1.08,-1.02,;-.62,-2.47,;.92,-2.83,;1.37,-4.28,;2.91,-4.64,;3.36,-6.09,;4.95,-6.41,;2.37,-7.27,;2.82,-8.72,;.87,-6.9,;-.17,-8.13,;.37,-5.46,;-4.61,1.29,;-5.92,.52,;-7.23,1.25,;-7.28,2.83,;-8.73,3.6,;-5.92,3.6,;-5.92,5.18,;-7.19,6.04,;-8.64,5.55,;-6.69,7.54,;-5.15,7.54,;-4.2,8.72,;-4.7,6.09,;-3.18,5.68,;-4.56,2.83,;-3.11,3.28,;1.55,3.78,;2.46,2.56,;4,2.74,;4.63,4.14,;6.07,4.63,;6.07,6.15,;4.63,6.6,;3.72,5.37,;2.18,5.18,;7.32,7.06,;8.73,6.44,;7.15,8.59,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C#N)n(C)c12 |r,wD:1.0,(-.51,5.19,;-.51,3.65,;1.03,3.74,;1.92,2.56,;1.28,1.17,;2.17,-.07,;-.26,1.07,;-1.15,-.27,;-.66,-1.66,;.83,-2.01,;1.33,-3.44,;2.81,-3.79,;3.26,-5.18,;4.75,-5.58,;5.19,-6.96,;6.73,-7.31,;4.2,-8.15,;4.7,-9.64,;2.72,-7.81,;1.72,-9,;2.27,-6.37,;-2.64,.27,;-3.83,-.47,;-5.22,.27,;-5.22,1.76,;-6.65,2.51,;-3.98,2.51,;-3.98,4.05,;-5.23,4.96,;-6.73,4.56,;-4.75,6.43,;-3.2,6.43,;-2.42,7.78,;-2.72,4.96,;-1.22,4.56,;-2.59,1.76,;-1.1,2.21,;3.46,2.7,;4.3,1.51,;5.84,1.66,;6.43,3.1,;5.59,4.29,;5.91,5.8,;4.58,6.58,;4.43,8.11,;4.28,9.64,;3.43,5.55,;1.95,5.76,;4.05,4.14,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cccc(C)n3)c12 |r,wD:1.0,(-.63,4.51,;-.63,2.97,;.91,3.13,;1.81,1.89,;1.18,.48,;2.08,-.77,;-.35,.32,;-1.25,-.93,;-.78,-2.39,;.73,-2.72,;1.21,-4.18,;2.72,-4.51,;3.2,-5.97,;4.72,-6.24,;5.25,-7.69,;6.75,-8.01,;4.26,-8.87,;4.73,-10.33,;2.74,-8.6,;1.77,-9.8,;2.21,-7.15,;-2.72,-.45,;-4.05,-1.22,;-5.38,-.45,;-5.38,1.09,;-6.75,1.8,;-4.05,1.86,;-4.05,3.4,;-5.3,4.3,;-6.74,3.77,;-4.82,5.77,;-3.28,5.77,;-2.34,6.99,;-2.8,4.3,;-1.32,3.89,;-2.72,1.09,;-1.25,1.57,;3.34,2.03,;4.24,.78,;5.77,.93,;6.67,-.32,;6.41,2.33,;5.51,3.58,;5.85,5.09,;4.52,5.87,;4.37,7.4,;5.63,8.3,;2.97,8.04,;3.37,4.85,;1.86,5.18,;.77,6.27,;-.71,5.87,;-1.8,6.96,;-1.4,8.45,;.08,8.85,;.48,10.33,;1.17,7.76,;3.98,3.44,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.01,5.53,;-3.01,3.99,;-1.47,4.15,;-.57,2.91,;-1.2,1.5,;-.3,.25,;-2.73,1.34,;-3.63,.09,;-3.16,-1.37,;-1.65,-1.7,;-1.17,-3.16,;.34,-3.49,;.82,-4.95,;2.34,-5.22,;2.87,-6.67,;4.37,-6.99,;1.88,-7.85,;2.35,-9.31,;.36,-7.58,;-.61,-8.78,;-.17,-6.13,;-5.1,.57,;-6.43,-.2,;-7.76,.57,;-7.76,2.11,;-9.13,2.81,;-6.43,2.88,;-6.43,4.42,;-7.68,5.32,;-9.12,4.79,;-7.2,6.79,;-5.66,6.79,;-4.72,8.01,;-5.18,5.32,;-3.7,4.91,;-5.1,2.11,;-3.63,2.58,;.96,3.05,;1.86,1.8,;3.39,1.95,;4.29,.69,;3.65,-.71,;4.54,-1.96,;6.08,-1.81,;7.01,-3.04,;8.53,-2.86,;9.13,-1.46,;8.22,-.23,;6.68,-.39,;4.03,3.35,;3.13,4.6,;3.47,6.11,;2.14,6.89,;1.99,8.42,;.59,9.06,;3.25,9.31,;.99,5.87,;-.52,6.2,;1.6,4.45,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cn(C)c4C)c3n12)c1cc(O)cc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-1.65,4.98,;-.88,3.64,;.62,3.98,;1.67,2.86,;1.21,1.38,;2.12,.14,;-.29,1.04,;-1.12,-.26,;-.66,-1.73,;.84,-2.08,;1.31,-3.54,;2.81,-3.89,;3.28,-5.36,;4.8,-5.61,;5.34,-7.06,;6.84,-7.4,;4.36,-8.25,;4.86,-9.7,;2.84,-7.99,;1.9,-9.22,;2.3,-6.55,;-2.77,.07,;-4.1,-.7,;-5.44,.07,;-5.44,1.61,;-6.78,2.37,;-4.1,2.38,;-4.1,3.75,;-2.86,4.66,;-1.53,3.89,;-3.33,6.12,;-4.87,6.12,;-5.64,7.46,;-5.35,4.66,;-6.84,4.26,;-2.77,1.61,;-1.34,2.17,;3.17,3.2,;4.21,2.07,;5.72,2.41,;6.76,1.28,;6.17,3.88,;5.12,5.01,;5.26,6.55,;6.58,7.34,;3.84,7.15,;2.83,5.99,;3.62,4.67,;3.5,8.65,;2.03,9.11,;4.63,9.7,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN2CCCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.69,5.53,;-2.69,3.99,;-1.16,4.15,;-.26,2.91,;-.88,1.5,;.01,.25,;-2.42,1.34,;-3.32,.09,;-2.85,-1.37,;-1.34,-1.7,;-.86,-3.16,;.65,-3.49,;1.14,-4.95,;2.65,-5.22,;3.18,-6.67,;4.68,-6.99,;2.19,-7.85,;2.66,-9.31,;.67,-7.58,;-.3,-8.78,;.14,-6.13,;-4.79,.57,;-6.12,-.2,;-7.45,.57,;-7.45,2.11,;-8.82,2.81,;-6.12,2.88,;-6.12,4.42,;-7.36,5.32,;-8.81,4.79,;-6.89,6.79,;-5.35,6.79,;-4.41,8.01,;-4.87,5.32,;-3.39,4.91,;-4.79,2.11,;-3.32,2.58,;1.28,3.05,;2.17,1.8,;3.7,1.95,;4.6,.69,;3.96,-.71,;4.86,-1.96,;6.39,-1.81,;7.41,-2.97,;8.82,-2.35,;8.67,-.82,;7.17,-.49,;4.34,3.35,;3.45,4.6,;3.78,6.11,;2.45,6.89,;2.3,8.42,;.9,9.06,;3.56,9.31,;1.3,5.87,;-.2,6.2,;1.91,4.45,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3cscn3)c12 |r,wD:1.0,(-.45,5.59,;-.45,4.05,;1.08,4.21,;1.99,2.97,;1.36,1.56,;2.27,.31,;-.17,1.4,;-1.07,.15,;-.68,-1.34,;.81,-1.73,;1.21,-3.22,;2.7,-3.62,;3.1,-5.11,;2.01,-6.2,;2.41,-7.68,;1.32,-8.77,;3.89,-8.08,;4.29,-9.57,;4.98,-6.99,;6.47,-7.39,;4.58,-5.51,;-2.54,.63,;-3.87,-.14,;-5.21,.63,;-5.21,2.17,;-6.54,2.94,;-3.87,2.94,;-3.87,4.48,;-5.12,5.38,;-6.58,4.91,;-4.64,6.85,;-3.1,6.85,;-2.2,8.09,;-2.63,5.38,;-1.16,4.91,;-2.54,2.17,;-1.07,2.64,;3.52,3.13,;4.43,1.88,;5.96,2.04,;6.58,3.45,;5.68,4.69,;6,6.2,;4.66,6.97,;4.5,8.5,;3.1,9.13,;5.75,9.41,;3.52,5.94,;2.01,6.26,;.92,7.35,;-.6,7.11,;-1.3,8.48,;-.21,9.57,;1.17,8.87,;4.15,4.53,)|
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C[C@@H]1CN(c2cn(C)c3c(C)cc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.37,5.37,;-1.32,3.84,;.21,4,;1.12,2.75,;2.64,2.95,;3.67,1.8,;5.08,2.43,;6.42,1.67,;4.92,3.96,;5.95,5.11,;7.46,4.79,;5.47,6.57,;3.97,6.89,;2.94,5.75,;3.41,4.28,;3.49,8.36,;1.99,8.68,;4.52,9.5,;.49,1.34,;1.43,.12,;-1.04,1.18,;-1.95,-.06,;-1.44,-1.52,;.05,-1.89,;.51,-3.36,;2.01,-3.69,;2.47,-5.16,;3.98,-5.43,;4.52,-6.87,;6.02,-7.19,;3.53,-8.05,;4.06,-9.5,;2.01,-7.79,;1.02,-8.97,;1.48,-6.35,;-3.41,.41,;-4.75,-.36,;-6.08,.41,;-6.08,1.95,;-7.46,2.64,;-4.75,2.72,;-4.7,4.26,;-5.94,5.17,;-7.38,4.62,;-5.47,6.63,;-3.93,6.63,;-3.16,7.97,;-3.45,5.17,;-1.99,4.69,;-3.41,1.95,;-1.95,2.43,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(O)cc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-1.65,4.98,;-.88,3.64,;.62,3.98,;1.67,2.86,;1.21,1.38,;2.12,.14,;-.29,1.04,;-1.12,-.26,;-.66,-1.73,;.84,-2.08,;1.31,-3.54,;2.81,-3.89,;3.28,-5.36,;4.8,-5.61,;5.34,-7.06,;6.84,-7.4,;4.36,-8.25,;4.86,-9.7,;2.84,-7.99,;1.9,-9.22,;2.3,-6.55,;-2.77,.07,;-4.1,-.7,;-5.44,.07,;-5.44,1.61,;-6.78,2.37,;-4.1,2.38,;-4.1,3.75,;-5.35,4.66,;-6.84,4.26,;-4.87,6.12,;-3.33,6.12,;-2.56,7.46,;-2.86,4.66,;-1.53,3.89,;-2.77,1.61,;-1.34,2.17,;3.17,3.2,;4.21,2.07,;5.72,2.41,;6.76,1.28,;6.17,3.88,;5.12,5.01,;5.26,6.55,;6.58,7.34,;3.84,7.15,;2.83,5.99,;3.62,4.67,;3.5,8.65,;2.03,9.11,;4.63,9.7,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncn(CC3CC3)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,2.66,;-.81,1.12,;.72,1.28,;1.62,.04,;3.16,.2,;4.22,-.92,;5.61,-.26,;6.96,-.99,;5.4,1.27,;6.41,2.44,;5.89,3.89,;4.38,4.17,;3.38,3,;3.89,1.55,;3.86,5.62,;2.4,6.1,;2.4,7.64,;3.86,8.12,;4.34,9.58,;3.31,10.72,;2.99,12.23,;1.85,11.2,;4.77,6.87,;1,-1.37,;1.91,-2.61,;-.53,-1.53,;-1.44,-2.78,;-.99,-4.25,;.51,-4.62,;.96,-6.1,;2.46,-6.43,;2.99,-7.88,;1.99,-9.05,;2.51,-10.5,;1.54,-11.7,;4.03,-10.78,;4.53,-12.23,;5.02,-9.6,;6.53,-9.93,;4.5,-8.15,;-2.9,-2.3,;-4.24,-3.07,;-5.57,-2.3,;-5.57,-.76,;-6.96,-.09,;-4.24,.01,;-4.24,1.55,;-5.48,2.45,;-6.95,1.98,;-5.01,3.92,;-3.47,3.92,;-2.7,5.25,;-2.99,2.45,;-1.53,1.98,;-2.9,-.76,;-1.44,-.29,)|
C[C@@H]1CN(Cc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCN(C)CC5)c4C)c3n12)c1cn(C)c2ccc(cc12)C(O)=O |r,wD:1.0,(-.82,3.47,;-.82,1.93,;.71,2.09,;1.62,.85,;.99,-.56,;-.54,-.72,;-1.44,-1.97,;-.97,-3.43,;.54,-3.75,;1.01,-5.22,;2.52,-5.54,;3,-7,;1.97,-8.15,;2.44,-9.61,;1.41,-10.76,;3.95,-9.93,;4.42,-11.4,;4.98,-8.79,;6.48,-9.11,;4.5,-7.32,;-2.91,-1.49,;-4.24,-2.26,;-5.58,-1.49,;-5.58,.05,;-6.91,.82,;-4.24,.82,;-4.24,2.36,;-5.49,3.26,;-6.95,2.79,;-5.01,4.73,;-3.47,4.73,;-2.7,6.06,;-3.47,7.39,;-2.7,8.73,;-3.47,10.06,;-5.01,10.06,;-5.78,11.4,;-5.78,8.73,;-5.01,7.39,;-3,3.26,;-1.53,2.79,;-2.91,.05,;-1.44,.52,;3.15,1.01,;4.21,-.11,;5.6,.55,;6.95,-.18,;5.4,2.08,;6.4,3.25,;5.89,4.7,;4.37,4.98,;3.37,3.81,;3.89,2.36,;3.86,6.43,;2.34,6.72,;4.86,7.6,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CCN5CCCC5)c4C)c3n12 |r,wD:1.0,(-1.61,3.69,;-1.61,2.15,;-.07,2.31,;.83,1.06,;2.36,1.22,;3.39,.07,;4.8,.7,;6.13,-.07,;4.64,2.23,;5.67,3.37,;5.19,4.84,;3.69,5.16,;2.66,4.02,;3.13,2.55,;6.23,5.98,;5.75,7.45,;7.73,5.66,;.21,-.34,;1.14,-1.57,;-1.33,-.5,;-2.23,-1.75,;-1.73,-3.21,;-.23,-3.56,;.29,-5.01,;1.79,-5.36,;2.26,-6.82,;3.77,-7.12,;4.27,-8.57,;5.78,-8.9,;3.26,-9.73,;3.75,-11.2,;1.75,-9.44,;.79,-10.64,;1.25,-7.98,;-3.7,-1.27,;-5.03,-2.04,;-6.36,-1.27,;-6.36,.27,;-7.73,.97,;-5.03,1.04,;-5.03,2.58,;-6.28,3.48,;-7.71,2.92,;-5.8,4.95,;-4.26,4.95,;-3.34,6.18,;-3.94,7.59,;-3.02,8.83,;-1.48,8.83,;-1,10.29,;-2.25,11.2,;-3.49,10.29,;-3.78,3.48,;-2.32,2.99,;-3.7,.27,;-2.23,.74,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CCN5CCCC5)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.63,3.68,;-.63,2.14,;.91,2.3,;1.81,1.05,;1.18,-.36,;2.08,-1.61,;-.35,-.52,;-1.25,-1.76,;-.78,-3.23,;.73,-3.56,;1.21,-5.02,;2.72,-5.35,;3.2,-6.81,;4.72,-7.08,;5.25,-8.52,;6.75,-8.84,;4.26,-9.7,;4.73,-11.17,;2.74,-9.43,;1.77,-10.63,;2.21,-7.99,;-2.72,-1.29,;-4.05,-2.06,;-5.38,-1.29,;-5.38,.25,;-6.75,.96,;-4.05,1.02,;-4.05,2.56,;-5.3,3.47,;-6.74,2.94,;-4.82,4.93,;-3.28,4.93,;-2.34,6.15,;-2.93,7.58,;-1.99,8.8,;-.45,8.8,;.03,10.26,;-1.22,11.17,;-2.47,10.26,;-2.8,3.47,;-1.32,3.05,;-2.72,.25,;-1.25,.73,;3.34,1.2,;4.24,-.06,;5.77,.09,;6.67,-1.16,;6.41,1.49,;5.51,2.75,;5.85,4.25,;4.52,5.03,;4.37,6.57,;2.97,7.2,;5.63,7.46,;3.37,4.01,;1.86,4.34,;3.98,2.6,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2n(C)c(cc12)-c1nn[nH]n1 |r,wD:1.0,(-.83,4.76,;-.83,3.22,;.7,3.38,;1.61,2.13,;.98,.73,;1.91,-.5,;-.55,.56,;-1.45,-.68,;-.95,-2.14,;.55,-2.49,;1.07,-3.94,;2.57,-4.29,;3.04,-5.75,;4.55,-6.05,;5.05,-7.5,;6.55,-7.83,;4.04,-8.67,;4.53,-10.13,;2.53,-8.37,;1.57,-9.57,;2.03,-6.92,;-2.92,-.21,;-4.25,-.98,;-5.59,-.21,;-5.59,1.33,;-6.95,2.04,;-4.25,2.1,;-4.25,3.64,;-5.5,4.55,;-6.93,3.99,;-5.02,6.01,;-3.48,6.01,;-2.56,7.25,;-3.01,4.55,;-1.55,4.06,;-2.92,1.33,;-1.45,1.81,;3.14,2.29,;4.07,1.06,;5.6,1.25,;6.2,2.67,;5.27,3.9,;5.56,5.41,;6.95,6.06,;4.21,6.15,;3.09,5.1,;3.74,3.7,;4.02,7.68,;5.14,8.73,;4.49,10.13,;2.96,9.94,;2.67,8.42,)|
COc1ccnc(n1)-c1ccc2n(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c2c1 |r,wD:18.19,(-.19,10.66,;.32,9.21,;1.84,8.93,;2.84,10.1,;4.35,9.82,;4.86,8.37,;3.86,7.19,;2.35,7.48,;4.38,5.74,;5.89,5.46,;6.41,4.01,;5.4,2.84,;5.61,1.31,;6.96,.58,;4.22,.65,;3.16,1.77,;1.62,1.61,;.72,2.85,;-.81,2.69,;-.81,4.23,;-1.44,1.28,;-.53,.04,;-1.44,-1.21,;-.99,-2.68,;.51,-3.05,;.96,-4.52,;2.46,-4.86,;2.99,-6.31,;1.99,-7.48,;2.51,-8.93,;1.54,-10.12,;4.03,-9.21,;4.53,-10.66,;5.02,-8.03,;6.53,-8.36,;4.5,-6.58,;-2.9,-.73,;-4.24,-1.5,;-5.57,-.73,;-5.57,.81,;-6.96,1.48,;-4.24,1.58,;-4.24,3.12,;-5.48,4.02,;-6.95,3.55,;-5.01,5.49,;-3.47,5.49,;-2.7,6.82,;-2.99,4.02,;-1.53,3.55,;-2.9,.81,;1,.2,;1.91,-1.04,;3.89,3.12,;3.38,4.57,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cccc2c(cccc12)C(O)=O |r,wD:1.0,(-2.43,5.64,;-1.52,4.4,;.01,4.56,;.91,3.31,;.29,1.91,;1.19,.66,;-1.24,1.75,;-2.15,.5,;-1.75,-.99,;-.26,-1.39,;.14,-2.87,;1.62,-3.27,;2.02,-4.76,;.93,-5.85,;1.33,-7.34,;.24,-8.43,;2.82,-7.74,;3.22,-9.22,;3.91,-6.65,;5.4,-7.04,;3.51,-5.16,;-3.61,.98,;-4.95,.21,;-6.28,.98,;-6.28,2.52,;-7.61,3.29,;-4.95,3.29,;-4.95,6.14,;-3.61,6.91,;-2.28,6.14,;-3.61,8.45,;-4.95,9.22,;-6.28,8.45,;-6.28,6.91,;-7.61,6.14,;-3.61,2.52,;-2.15,2.99,;2.45,3.47,;3.38,2.25,;4.91,2.45,;5.5,3.88,;4.56,5.1,;5.15,6.52,;4.22,7.74,;2.69,7.54,;2.1,6.12,;3.04,4.9,;6.68,6.72,;7.27,8.14,;7.61,5.5,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CC5CCOCC5)c4C)c3n12 |r,wD:1.0,(-1.61,4.07,;-1.61,2.53,;-.07,2.69,;.83,1.45,;2.36,1.6,;3.39,.46,;4.8,1.08,;6.13,.31,;4.64,2.62,;5.67,3.76,;5.19,5.22,;3.69,5.54,;2.66,4.4,;3.13,2.94,;6.23,6.37,;5.75,7.83,;7.73,6.05,;.21,.04,;1.14,-1.18,;-1.33,-.12,;-2.23,-1.37,;-1.73,-2.82,;-.23,-3.17,;.29,-4.62,;1.79,-4.97,;2.26,-6.44,;3.77,-6.73,;4.27,-8.19,;5.78,-8.52,;3.26,-9.35,;3.75,-10.81,;1.75,-9.06,;.79,-10.26,;1.25,-7.6,;-3.7,-.89,;-5.03,-1.66,;-6.36,-.89,;-6.36,.65,;-7.73,1.36,;-5.03,1.42,;-5.03,2.96,;-6.28,3.87,;-7.71,3.3,;-5.8,5.33,;-4.26,5.33,;-3.34,6.56,;-3.94,7.98,;-3.02,9.21,;-3.62,10.63,;-5.15,10.81,;-6.07,9.58,;-5.47,8.16,;-3.78,3.87,;-2.32,3.38,;-3.7,.65,;-2.23,1.13,)|
COc1cnc(nc1)-c1ccc2n(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c2c1 |r,wD:18.19,(3.32,11.69,;2.32,10.52,;2.84,9.07,;4.35,8.79,;4.86,7.34,;3.86,6.16,;2.35,6.45,;1.84,7.9,;4.38,4.71,;5.89,4.43,;6.41,2.98,;5.41,1.81,;5.61,.28,;6.96,-.45,;4.22,-.38,;3.16,.74,;1.62,.58,;.72,1.82,;-.81,1.66,;-.81,3.2,;-1.44,.25,;-.53,-.99,;-1.44,-2.24,;-.99,-3.71,;.51,-4.08,;.96,-5.55,;2.46,-5.89,;2.99,-7.34,;1.99,-8.51,;2.51,-9.96,;1.54,-11.15,;4.03,-10.24,;4.53,-11.69,;5.02,-9.06,;6.53,-9.39,;4.5,-7.61,;-2.9,-1.76,;-4.24,-2.53,;-5.57,-1.76,;-5.57,-.22,;-6.96,.45,;-4.24,.55,;-4.24,2.09,;-5.48,2.99,;-6.95,2.52,;-5.01,4.46,;-3.47,4.46,;-2.7,5.79,;-2.99,2.99,;-1.53,2.52,;-2.9,-.22,;1,-.83,;1.91,-2.07,;3.89,2.09,;3.38,3.54,)|
Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2cccnc12 |(-1.69,6.32,;-3.16,6.79,;-3.63,8.25,;-5.17,8.25,;-5.65,6.79,;-7.08,6.21,;-4.4,5.88,;-4.4,4.34,;-5.74,3.57,;-7.09,4.31,;-5.74,2.03,;-4.4,1.26,;-3.07,2.03,;-1.61,1.56,;-1.17,.08,;.31,-.34,;.71,-1.83,;2.19,-2.26,;2.59,-3.75,;1.44,-4.78,;1.76,-6.29,;.76,-7.46,;3.23,-6.76,;3.61,-8.25,;4.37,-5.73,;5.86,-6.11,;4.05,-4.23,;-.7,2.8,;.84,2.74,;1.44,1.32,;1.85,3.9,;1.58,5.41,;.22,6.14,;-1.2,5.53,;-1.61,4.05,;-3.07,3.57,;3.34,3.5,;3.66,2,;5.13,1.52,;6.27,2.55,;5.95,4.06,;7.09,5.09,;6.77,6.6,;5.3,7.07,;4.16,6.04,;4.48,4.53,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CCN(C)C)c4C)c3n12 |r,wD:1.0,(-1.61,4.15,;-1.61,2.61,;-.07,2.77,;.83,1.52,;2.36,1.67,;3.39,.53,;4.8,1.16,;6.13,.39,;4.64,2.69,;5.67,3.83,;5.19,5.3,;3.69,5.62,;2.66,4.47,;3.13,3.01,;6.23,6.44,;5.75,7.91,;7.73,6.12,;.21,.11,;1.14,-1.11,;-1.33,-.05,;-2.23,-1.29,;-1.73,-2.75,;-.23,-3.1,;.29,-4.55,;1.79,-4.9,;2.26,-6.36,;3.77,-6.66,;4.27,-8.11,;5.78,-8.44,;3.26,-9.28,;3.75,-10.74,;1.75,-8.98,;.79,-10.19,;1.25,-7.53,;-3.7,-.82,;-5.03,-1.59,;-6.36,-.82,;-6.36,.72,;-7.73,1.43,;-5.03,1.49,;-5.03,3.03,;-6.28,3.94,;-7.71,3.38,;-5.8,5.4,;-4.26,5.4,;-3.49,6.74,;-4.26,8.07,;-3.49,9.4,;-4.26,10.74,;-1.95,9.4,;-3.78,3.94,;-2.32,3.45,;-3.7,.72,;-2.23,1.2,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc12)C(N)=O |r,wD:8.8,(7.8,1.97,;6.9,3.22,;5.37,3.07,;4.73,1.67,;3.2,1.52,;2.3,2.78,;.77,2.63,;-.14,3.88,;-1.67,3.72,;-1.67,5.26,;-2.29,2.31,;-1.39,1.06,;-2.29,-.18,;-1.82,-1.65,;-.32,-1.98,;.17,-3.44,;1.67,-3.77,;2.16,-5.23,;3.68,-5.5,;4.2,-6.94,;5.71,-7.26,;3.21,-8.12,;3.69,-9.59,;1.7,-7.85,;.73,-9.05,;1.17,-6.41,;-3.76,.29,;-5.09,-.48,;-6.43,.29,;-6.43,1.83,;-7.8,2.54,;-5.09,2.6,;-5.09,4.14,;-6.34,5.05,;-7.78,4.52,;-5.86,6.51,;-4.32,6.51,;-3.38,7.73,;-3.85,5.05,;-2.36,4.63,;-3.76,1.83,;.14,1.22,;1.04,-.03,;2.94,4.18,;2.32,5.59,;.82,5.92,;-.27,7.01,;-1.76,6.61,;-2.84,7.7,;-2.45,9.19,;-.96,9.59,;.13,8.5,;3.48,6.61,;4.8,5.83,;4.47,4.33,;3.33,8.14,;4.58,9.04,;1.93,8.78,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cccc3c(cccc23)C(O)=O)cc(C)c1Cl |(4.58,-6.47,;3.1,-6.05,;2.75,-4.55,;1.27,-4.1,;.92,-2.6,;-.57,-2.21,;-.93,-.71,;-2.41,-.29,;-2.89,1.17,;-1.98,2.42,;-.44,2.35,;.17,.94,;.57,3.51,;.29,5.03,;-1.06,5.76,;-2.48,5.15,;-2.89,3.67,;-4.35,3.19,;-5.69,3.96,;-7.02,3.19,;-8.37,3.93,;-7.02,1.65,;-5.69,.88,;-4.35,1.65,;-5.69,5.5,;-7.02,6.27,;-8.31,5.43,;-7.02,7.81,;-5.69,8.58,;-4.35,7.81,;-4.35,6.27,;-3.05,5.45,;2.05,3.08,;2.4,1.58,;3.87,1.13,;4.99,2.18,;4.64,3.68,;5.77,4.74,;5.42,6.24,;3.94,6.68,;2.82,5.63,;3.17,4.13,;7.24,4.27,;8.37,5.32,;7.59,2.78,;.15,-5.16,;.5,-6.66,;-.57,-7.77,;1.97,-7.1,;2.41,-8.58,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCc2ccccc2)cc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-3.19,4.98,;-2.42,3.64,;-.92,3.98,;.13,2.86,;-.32,1.38,;.59,.14,;-1.82,1.04,;-2.65,-.26,;-2.2,-1.73,;-.7,-2.08,;-.23,-3.54,;1.27,-3.89,;1.75,-5.36,;3.26,-5.61,;3.8,-7.06,;5.3,-7.4,;2.82,-8.25,;3.32,-9.7,;1.3,-7.99,;.37,-9.22,;.76,-6.55,;-4.3,.07,;-5.64,-.7,;-6.97,.07,;-6.97,1.61,;-8.31,2.37,;-5.64,2.38,;-5.64,3.75,;-6.88,4.66,;-8.37,4.26,;-6.41,6.12,;-4.87,6.12,;-4.1,7.46,;-4.39,4.66,;-3.06,3.89,;-4.3,1.61,;-2.87,2.17,;1.63,3.2,;2.68,2.07,;4.18,2.41,;5.23,1.28,;4.78,-.19,;5.82,-1.32,;5.37,-2.79,;6.42,-3.92,;7.92,-3.57,;8.37,-2.1,;7.32,-.97,;4.64,3.88,;3.59,5.01,;3.73,6.55,;5.05,7.34,;2.31,7.15,;1.3,5.99,;2.09,4.67,;1.97,8.65,;.5,9.11,;3.1,9.7,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(Cc3cccnc3)c12)C(O)=O |r,wD:1.0,(-1.5,5.26,;-1.5,3.72,;.03,3.88,;.94,2.63,;.31,1.22,;1.21,-.03,;-1.22,1.06,;-2.12,-.18,;-1.65,-1.65,;-.15,-1.98,;.34,-3.44,;1.84,-3.77,;2.33,-5.23,;3.85,-5.5,;4.37,-6.94,;5.88,-7.26,;3.38,-8.12,;3.86,-9.59,;1.87,-7.85,;.9,-9.05,;1.34,-6.41,;-3.59,.29,;-4.92,-.48,;-6.26,.29,;-6.26,1.83,;-7.63,2.54,;-4.92,2.6,;-4.92,4.14,;-6.17,5.05,;-7.61,4.52,;-5.69,6.51,;-4.15,6.51,;-3.21,7.73,;-3.68,5.05,;-2.19,4.63,;-3.59,1.83,;-2.12,2.31,;2.47,2.78,;3.37,1.52,;4.9,1.67,;5.54,3.07,;4.64,4.33,;4.97,5.83,;3.65,6.61,;2.49,5.59,;.99,5.92,;-.1,7.01,;-1.59,6.61,;-2.67,7.7,;-2.28,9.19,;-.79,9.59,;.3,8.5,;3.11,4.18,;6.39,6.45,;6.56,7.98,;7.63,5.53,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(C(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-2.31,5.64,;-1.4,4.4,;.13,4.56,;1.03,3.31,;.41,1.91,;1.31,.66,;-1.12,1.75,;-2.03,.5,;-1.63,-.99,;-.14,-1.39,;.26,-2.87,;1.74,-3.27,;2.14,-4.76,;1.05,-5.85,;1.45,-7.34,;.36,-8.43,;2.94,-7.74,;3.34,-9.22,;4.03,-6.65,;5.52,-7.04,;3.63,-5.16,;-3.49,.98,;-4.83,.21,;-6.16,.98,;-6.16,2.52,;-7.49,3.29,;-4.83,3.29,;-4.83,6.14,;-3.49,6.91,;-2.16,6.14,;-3.49,8.45,;-4.83,9.22,;-6.16,8.45,;-6.16,6.91,;-7.49,6.14,;-3.49,2.52,;-2.03,2.99,;2.57,3.47,;3.5,2.25,;5.03,2.45,;5.97,1.23,;5.38,-.19,;7.49,1.43,;5.62,3.88,;7.07,4.39,;7.07,5.93,;5.62,6.37,;5.12,7.86,;4.68,5.1,;3.16,4.9,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3cncnc3)c12 |r,wD:1.0,(-.63,5.29,;-.63,3.75,;.9,3.91,;1.81,2.67,;1.18,1.26,;2.11,.04,;-.35,1.1,;-1.25,-.15,;-.75,-1.6,;.75,-1.95,;1.27,-3.4,;2.77,-3.75,;3.24,-5.22,;4.75,-5.51,;5.25,-6.97,;6.75,-7.3,;4.24,-8.13,;4.73,-9.59,;2.73,-7.84,;1.77,-9.04,;2.23,-6.38,;-2.72,.33,;-4.05,-.44,;-5.39,.33,;-5.39,1.87,;-6.75,2.58,;-4.05,2.64,;-4.05,4.18,;-5.3,5.09,;-6.73,4.52,;-4.82,6.55,;-3.28,6.55,;-2.36,7.78,;-2.81,5.09,;-1.35,4.6,;-2.72,1.87,;-1.25,2.35,;3.34,2.82,;4.27,1.59,;5.8,1.78,;6.4,3.2,;5.47,4.43,;5.76,5.94,;4.41,6.69,;4.22,8.22,;2.8,8.81,;5.45,9.14,;3.29,5.63,;1.77,5.93,;.69,7.01,;1.08,8.5,;-.01,9.59,;-1.49,9.19,;-1.89,7.7,;-.8,6.62,;3.94,4.24,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(Cc3ccccn3)c12)C(O)=O |r,wD:1.0,(-1.5,5.26,;-1.5,3.72,;.03,3.88,;.94,2.63,;.31,1.22,;1.21,-.03,;-1.22,1.06,;-2.12,-.18,;-1.65,-1.65,;-.15,-1.98,;.34,-3.44,;1.84,-3.77,;2.33,-5.23,;3.85,-5.5,;4.37,-6.94,;5.88,-7.26,;3.38,-8.12,;3.86,-9.59,;1.87,-7.85,;.9,-9.05,;1.34,-6.41,;-3.59,.29,;-4.92,-.48,;-6.26,.29,;-6.26,1.83,;-7.63,2.54,;-4.92,2.6,;-4.92,4.14,;-6.17,5.05,;-7.61,4.52,;-5.69,6.51,;-4.15,6.51,;-3.21,7.73,;-3.68,5.05,;-2.19,4.63,;-3.59,1.83,;-2.12,2.31,;2.47,2.78,;3.37,1.52,;4.9,1.67,;5.54,3.07,;4.64,4.33,;4.97,5.83,;3.65,6.61,;2.49,5.59,;.99,5.92,;-.1,7.01,;-1.59,6.61,;-2.67,7.7,;-2.28,9.19,;-.79,9.59,;.3,8.5,;3.11,4.18,;6.39,6.45,;6.56,7.98,;7.63,5.53,)|
C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12 |r,wD:1.0,(-2.46,5.37,;-1.56,4.12,;-.03,4.28,;.88,3.04,;2.41,3.2,;3.47,2.08,;4.86,2.74,;6.21,2.01,;4.66,4.27,;5.66,5.44,;5.15,6.89,;3.63,7.17,;2.63,6,;3.15,4.55,;6.14,8.06,;5.63,9.5,;7.65,7.78,;.25,1.63,;1.16,.38,;-1.28,1.47,;-2.18,.22,;-1.79,-1.27,;-.3,-1.66,;.1,-3.15,;1.59,-3.55,;1.99,-5.04,;.9,-6.13,;1.3,-7.61,;.21,-8.7,;2.78,-8.01,;3.18,-9.5,;3.87,-6.92,;5.36,-7.32,;3.47,-5.44,;-3.65,.7,;-4.98,-.07,;-6.32,.7,;-6.32,2.24,;-7.65,3.01,;-4.98,3.01,;-4.98,5.87,;-3.65,6.64,;-2.31,5.87,;-3.65,8.18,;-4.98,8.95,;-6.32,8.18,;-6.32,6.64,;-7.65,5.87,;-3.65,2.24,;-2.18,2.71,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc(OCc2ccccc2)c2n(C)c(cc12)C(O)=O |r,wD:1.0,(-2,5.46,;-1.6,3.98,;-.07,4.14,;.84,2.89,;.21,1.48,;1.14,.26,;-1.32,1.32,;-2.23,.08,;-1.72,-1.38,;-.22,-1.73,;.29,-3.18,;1.79,-3.53,;2.27,-4.99,;3.78,-5.29,;4.28,-6.74,;5.78,-7.07,;3.27,-7.91,;3.75,-9.37,;1.76,-7.61,;.79,-8.82,;1.26,-6.16,;-3.69,.55,;-5.02,-.22,;-6.36,.55,;-6.36,2.09,;-7.72,2.8,;-5.02,2.86,;-5.02,4.4,;-6.27,5.31,;-7.7,4.75,;-5.79,6.77,;-4.25,6.77,;-3.33,8.01,;-3.78,5.31,;-2.32,4.82,;-3.69,2.09,;-2.23,2.57,;2.37,3.04,;3.3,1.82,;4.83,2.01,;5.43,3.43,;6.95,3.62,;7.72,2.28,;6.95,.95,;5.41,.95,;4.64,-.38,;5.41,-1.72,;6.95,-1.72,;7.72,-.38,;4.5,4.65,;4.79,6.17,;6.18,6.82,;3.44,6.91,;2.32,5.86,;2.97,4.46,;3.25,8.44,;1.83,9.04,;4.48,9.37,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OC(F)(F)F)cc2cc([nH]c12)C(O)=O |r,wD:1.0,(-.96,5.53,;-.96,3.99,;.57,4.15,;1.47,2.91,;.85,1.5,;1.74,.25,;-.69,1.34,;-1.59,.09,;-1.12,-1.37,;.39,-1.7,;.87,-3.16,;2.38,-3.49,;2.86,-4.95,;4.38,-5.22,;4.91,-6.67,;6.41,-6.99,;3.92,-7.85,;4.39,-9.31,;2.4,-7.58,;1.43,-8.78,;1.87,-6.13,;-3.06,.57,;-4.39,-.2,;-5.72,.57,;-5.72,2.11,;-7.09,2.81,;-4.39,2.88,;-4.39,4.42,;-5.64,5.32,;-7.08,4.79,;-5.16,6.79,;-3.62,6.79,;-2.68,8.01,;-3.14,5.32,;-1.66,4.91,;-3.06,2.11,;-1.59,2.58,;3.01,3.05,;3.9,1.8,;5.43,1.95,;6.33,.69,;5.69,-.71,;4.29,-.07,;7.09,-1.35,;5.05,-2.11,;6.07,3.35,;5.18,4.6,;5.51,6.11,;4.18,6.89,;3.03,5.87,;3.64,4.45,;4.03,8.42,;2.63,9.06,;5.29,9.31,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cc(cc3OCCOc23)C(O)=O)cc(C)c1Cl |(5.94,-6.47,;4.46,-6.06,;4.11,-4.56,;2.63,-4.11,;2.28,-2.62,;.8,-2.18,;.4,-.7,;-1.08,-.26,;-1.58,1.2,;-.68,2.44,;.86,2.37,;1.46,.95,;1.87,3.53,;1.6,5.05,;.24,5.78,;-1.17,5.17,;-1.58,3.69,;-3.05,3.21,;-4.38,3.98,;-5.71,3.21,;-7.08,3.92,;-5.71,1.67,;-4.38,.9,;-3.05,1.67,;-4.38,5.52,;-3.05,6.29,;-1.7,5.55,;-3.05,7.83,;-4.38,8.6,;-5.71,7.83,;-5.71,6.29,;-7.02,5.47,;3.36,3.14,;3.71,1.64,;5.19,1.19,;6.31,2.24,;5.96,3.74,;7.08,4.8,;6.73,6.3,;5.26,6.74,;4.14,5.69,;4.49,4.19,;5.55,-.3,;4.44,-1.37,;7.03,-.73,;1.51,-5.17,;1.86,-6.67,;.82,-7.8,;3.34,-7.11,;3.73,-8.6,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc12)C(O)=O |r,wD:8.8,(7.83,2.2,;6.85,3.39,;5.32,3.2,;4.73,1.78,;3.2,1.59,;2.27,2.82,;.74,2.67,;-.17,3.91,;-1.7,3.75,;-1.7,5.29,;-2.33,2.35,;-1.42,1.1,;-2.33,-.15,;-1.83,-1.6,;-.33,-1.95,;.19,-3.4,;1.69,-3.75,;2.16,-5.22,;3.67,-5.51,;4.18,-6.97,;5.68,-7.3,;3.17,-8.13,;3.65,-9.59,;1.65,-7.84,;.69,-9.04,;1.15,-6.38,;-3.79,.33,;-5.13,-.44,;-6.46,.33,;-6.46,1.87,;-7.83,2.58,;-5.13,2.64,;-5.13,4.18,;-6.37,5.09,;-7.8,4.52,;-5.9,6.55,;-4.36,6.55,;-3.43,7.78,;-3.88,5.09,;-2.42,4.6,;-3.79,1.87,;.11,1.26,;1.04,.04,;2.87,4.24,;2.21,5.63,;.7,5.93,;-.39,7.01,;.01,8.5,;-1.08,9.59,;-2.57,9.19,;-2.96,7.7,;-1.88,6.62,;3.34,6.69,;4.69,5.94,;4.4,4.43,;3.15,8.22,;1.73,8.81,;4.37,9.14,)|
COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.57,9.39,;-.1,7.92,;1.4,7.59,;1.86,6.12,;3.37,5.79,;4.52,6.81,;5.85,6.03,;5.51,4.52,;6.41,3.27,;5.77,1.87,;6.67,.62,;4.24,1.72,;3.34,2.98,;1.81,2.83,;.91,4.07,;-.63,3.91,;-.63,5.45,;-1.25,2.51,;-.35,1.26,;-1.25,.02,;-.78,-1.45,;.73,-1.78,;1.21,-3.24,;2.72,-3.57,;3.2,-5.03,;4.72,-5.3,;5.25,-6.75,;6.75,-7.07,;4.26,-7.93,;4.73,-9.39,;2.74,-7.66,;1.77,-8.86,;2.21,-6.21,;-2.72,.49,;-4.05,-.28,;-5.38,.49,;-5.38,2.03,;-6.75,2.74,;-4.05,2.8,;-4.05,4.34,;-5.3,5.25,;-6.74,4.72,;-4.82,6.71,;-3.28,6.71,;-2.34,7.93,;-2.8,5.25,;-1.32,4.83,;-2.72,2.03,;1.18,1.42,;2.08,.17,;3.98,4.38,;4.37,8.34,;2.97,8.98,;5.63,9.24,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cc(C(O)=O)c3cnn(C)c3c2)cc(C)c1Cl |(.37,-7.86,;1.44,-6.75,;.95,-5.29,;1.97,-4.14,;1.6,-2.64,;.11,-2.25,;-.29,-.76,;-1.77,-.32,;-2.27,1.14,;-1.36,2.38,;.18,2.32,;.83,.92,;1.19,3.48,;.91,4.99,;-.44,5.72,;-1.86,5.12,;-2.27,3.63,;-3.73,3.15,;-5.07,3.92,;-6.4,3.15,;-7.75,3.89,;-6.4,1.61,;-5.07,.84,;-3.73,1.61,;-5.07,5.46,;-6.4,6.23,;-7.69,5.39,;-6.4,7.77,;-5.07,8.54,;-3.73,7.77,;-3.73,6.23,;-2.37,5.51,;2.68,3.08,;3.04,1.59,;4.52,1.16,;4.88,-.34,;3.75,-1.39,;6.35,-.78,;5.63,2.22,;7.17,2.11,;7.75,3.53,;6.58,4.53,;6.66,6.07,;5.27,3.72,;3.79,4.15,;3.48,-4.45,;3.97,-5.91,;5.46,-6.29,;2.95,-7.06,;3.36,-8.54,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3noc(C)n3)c12 |r,wD:1.0,(-.45,4.83,;-.45,3.29,;1.08,3.45,;1.99,2.21,;1.36,.8,;2.27,-.45,;-.17,.64,;-1.07,-.61,;-.68,-2.1,;.81,-2.49,;1.21,-3.98,;2.7,-4.38,;3.1,-5.87,;2.01,-6.96,;2.41,-8.44,;1.32,-9.53,;3.89,-8.84,;4.29,-10.33,;4.98,-7.75,;6.47,-8.15,;4.58,-6.27,;-2.54,-.13,;-3.87,-.9,;-5.21,-.13,;-5.21,1.41,;-6.54,2.18,;-3.87,2.18,;-3.87,3.72,;-5.12,4.62,;-6.58,4.15,;-4.64,6.09,;-3.1,6.09,;-2.2,7.33,;-2.63,4.62,;-1.16,4.15,;-2.54,1.41,;-1.07,1.88,;3.52,2.37,;4.43,1.12,;5.96,1.28,;6.58,2.69,;5.68,3.93,;6,5.44,;4.66,6.21,;4.5,7.74,;3.1,8.37,;5.75,8.65,;3.52,5.18,;2.01,5.5,;.92,6.59,;-.6,6.35,;-1.3,7.72,;-.21,8.81,;-.45,10.33,;1.17,8.11,;4.15,3.77,)|
C[C@@H]1CN(c2c[nH]c3ccc(cc23)-c2ncn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.73,5.42,;-.25,3.95,;1.25,3.63,;1.73,2.17,;3.24,1.85,;3.86,.44,;5.39,.6,;5.71,2.11,;7.05,2.88,;7.05,4.42,;5.71,5.19,;4.38,4.42,;4.38,2.88,;5.71,6.73,;4.47,7.63,;4.94,9.1,;6.48,9.1,;7.39,10.34,;6.96,7.63,;.7,1.02,;1.17,-.44,;-.81,1.34,;-2.05,.44,;-2.05,-1.1,;-3.39,-1.87,;-3.39,-3.41,;-4.72,-4.18,;-4.72,-5.72,;-6.05,-6.49,;-6.05,-8.03,;-7.39,-8.8,;-4.72,-8.8,;-4.72,-10.34,;-3.39,-8.03,;-2.05,-8.8,;-3.39,-6.49,;-3.3,1.34,;-4.81,1.02,;-5.84,2.17,;-5.36,3.63,;-6.39,4.78,;-3.85,3.95,;-3.38,6.88,;-4.28,8.12,;-5.82,8.12,;-3.38,9.37,;-1.91,8.89,;-.67,9.8,;-1.91,7.35,;-.67,6.45,;-2.82,2.81,;-1.28,2.81,)|
Cc1cc(OCCCc2c3C(=O)N(CCCn3c3c(c(Cl)ccc23)-c2c(C)ncnc2C)c2cn(C)c3ccc(cc23)C(O)=O)cc(C)c1Cl |(5.89,-6.6,;4.4,-6.19,;4.05,-4.69,;2.58,-4.25,;2.22,-2.75,;.75,-2.31,;.34,-.83,;-1.14,-.39,;-1.64,1.07,;-.73,2.31,;.81,2.24,;1.41,.82,;1.82,3.4,;1.54,4.92,;.19,5.65,;-1.23,5.04,;-1.64,3.56,;-3.1,3.08,;-4.44,3.85,;-5.77,3.08,;-7.14,3.79,;-5.77,1.54,;-4.44,.77,;-3.1,1.54,;-4.44,5.39,;-3.1,6.16,;-1.75,5.42,;-3.1,7.7,;-4.44,8.47,;-5.77,7.7,;-5.77,6.16,;-7.07,5.34,;3.33,3.08,;3.95,1.67,;5.48,1.84,;6.51,.69,;5.8,3.34,;7.14,4.11,;7.14,5.65,;5.8,6.42,;4.47,5.65,;4.47,4.11,;5.8,7.96,;7.14,8.73,;4.47,8.73,;1.45,-5.3,;1.81,-6.8,;.76,-7.93,;3.28,-7.24,;3.68,-8.73,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3nnc(C)o3)c12 |r,wD:1.0,(-.63,4.71,;-.63,3.17,;.9,3.33,;1.81,2.09,;1.18,.68,;2.11,-.55,;-.35,.52,;-1.25,-.73,;-.75,-2.18,;.75,-2.53,;1.27,-3.98,;2.77,-4.33,;3.24,-5.8,;4.75,-6.09,;5.25,-7.55,;6.75,-7.88,;4.24,-8.71,;4.73,-10.17,;2.73,-8.42,;1.77,-9.62,;2.23,-6.96,;-2.72,-.25,;-4.05,-1.02,;-5.39,-.25,;-5.39,1.29,;-6.75,2,;-4.05,2.06,;-4.05,3.6,;-5.3,4.5,;-6.73,3.94,;-4.82,5.97,;-3.28,5.97,;-2.36,7.2,;-2.81,4.5,;-1.35,4.02,;-2.72,1.29,;-1.25,1.76,;3.34,2.24,;4.27,1.01,;5.8,1.2,;6.4,2.62,;5.47,3.85,;5.76,5.36,;4.41,6.11,;4.22,7.63,;2.8,8.23,;5.45,8.56,;3.29,5.05,;1.77,5.34,;.69,6.43,;-.84,6.19,;-1.54,7.56,;-.45,8.65,;-.69,10.17,;.93,7.95,;3.94,3.66,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(Cc3ccncc3)c12)C(O)=O |r,wD:1.0,(-1.5,5.26,;-1.5,3.72,;.03,3.88,;.94,2.63,;.31,1.22,;1.21,-.03,;-1.22,1.06,;-2.12,-.18,;-1.65,-1.65,;-.15,-1.98,;.34,-3.44,;1.84,-3.77,;2.33,-5.23,;3.85,-5.5,;4.37,-6.94,;5.88,-7.26,;3.38,-8.12,;3.86,-9.59,;1.87,-7.85,;.9,-9.05,;1.34,-6.41,;-3.59,.29,;-4.92,-.48,;-6.26,.29,;-6.26,1.83,;-7.63,2.54,;-4.92,2.6,;-4.92,4.14,;-6.17,5.05,;-7.61,4.52,;-5.69,6.51,;-4.15,6.51,;-3.21,7.73,;-3.68,5.05,;-2.19,4.63,;-3.59,1.83,;-2.12,2.31,;2.47,2.78,;3.37,1.52,;4.9,1.67,;5.54,3.07,;4.64,4.33,;4.97,5.83,;3.65,6.61,;2.49,5.59,;.99,5.92,;-.1,7.01,;.3,8.5,;-.79,9.59,;-2.28,9.19,;-2.67,7.7,;-1.59,6.61,;3.11,4.18,;6.39,6.45,;6.56,7.98,;7.63,5.53,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2c(cccc2n1)C(O)=O |r,wD:1.0,(-2.49,6.14,;-2.44,4.6,;-.91,4.76,;-0,3.52,;-.63,2.11,;.31,.89,;-2.16,1.95,;-3.07,.7,;-2.57,-.75,;-1.07,-1.13,;-.62,-2.6,;.89,-2.93,;1.35,-4.4,;2.86,-4.66,;3.4,-6.1,;4.9,-6.42,;2.41,-7.29,;2.94,-8.73,;.89,-7.02,;-.1,-8.2,;.36,-5.58,;-4.53,1.18,;-5.87,.41,;-7.2,1.18,;-7.2,2.72,;-8.58,3.41,;-5.87,3.49,;-5.82,5.03,;-7.06,5.93,;-8.5,5.39,;-6.59,7.4,;-5.05,7.4,;-4.28,8.73,;-4.57,5.93,;-3.11,5.46,;-4.53,2.72,;-3.07,3.2,;1.52,3.71,;2.5,2.52,;4.02,2.77,;4.56,4.2,;6.08,4.45,;6.63,5.89,;5.66,7.08,;4.14,6.84,;3.59,5.4,;2.07,5.15,;7.06,3.26,;6.51,1.82,;8.58,3.5,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(C)c(C(O)=O)n(C)c12 |r,wD:1.0,(-.84,5.49,;-.79,4,;.74,4.14,;1.61,2.9,;.93,1.51,;1.89,.26,;-.6,1.37,;-1.46,.02,;-.98,-1.37,;.55,-1.75,;1.03,-3.19,;2.52,-3.47,;2.95,-4.91,;4.48,-5.29,;4.91,-6.73,;6.49,-7.07,;3.91,-7.88,;4.43,-9.37,;2.42,-7.55,;1.46,-8.74,;1.99,-6.06,;-2.95,.6,;-4.24,-.17,;-5.53,.55,;-5.53,2.13,;-7.02,2.85,;-4.29,2.9,;-4.24,4.43,;-5.53,5.34,;-6.92,4.82,;-5.01,6.78,;-3.47,6.78,;-2.56,8.03,;-3.04,5.39,;-1.54,4.99,;-2.95,2.13,;-1.46,2.56,;3.14,3.14,;4.05,1.84,;5.58,1.99,;6.16,3.43,;5.25,4.67,;5.63,6.16,;7.02,6.78,;4.24,6.92,;4.1,8.46,;2.56,9.08,;5.34,9.37,;3.14,5.87,;1.65,6.16,;3.71,4.53,)|
C[C@@H]1CN(c2cnc3ccc(cn23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.6,5.38,;-.6,3.84,;.94,4,;1.84,2.75,;3.37,2.91,;4.43,1.8,;5.82,2.46,;5.62,3.99,;6.62,5.16,;6.11,6.61,;4.59,6.89,;3.59,5.72,;4.11,4.27,;4.08,8.34,;5.08,9.51,;2.57,8.62,;1.21,1.35,;2.13,.11,;-.32,1.19,;-1.22,-.06,;-.77,-1.53,;.72,-1.91,;1.18,-3.38,;2.68,-3.71,;3.2,-5.16,;2.21,-6.34,;2.73,-7.79,;1.75,-8.98,;4.25,-8.06,;4.75,-9.51,;5.24,-6.88,;6.74,-7.22,;4.72,-5.43,;-2.69,.42,;-4.02,-.35,;-5.35,.42,;-5.35,1.96,;-6.74,2.62,;-4.02,2.73,;-4.02,4.27,;-5.27,5.17,;-6.73,4.7,;-4.79,6.64,;-3.25,6.64,;-2.48,7.97,;-2.78,5.17,;-1.31,4.7,;-2.69,1.96,;-1.22,2.43,)|
CCCn1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2cc(ccc12)C(O)=O |r,wD:8.8,(8.28,1.75,;6.95,2.52,;5.61,1.75,;4.28,2.52,;2.91,1.82,;1.82,2.9,;.29,2.71,;-.61,3.95,;-2.15,3.79,;-2.2,5.33,;-2.77,2.38,;-1.87,1.14,;-2.77,-.11,;-2.27,-1.56,;-.78,-1.94,;-.32,-3.41,;1.18,-3.74,;1.64,-5.21,;3.16,-5.47,;3.69,-6.92,;5.2,-7.24,;2.7,-8.1,;3.23,-9.54,;1.19,-7.84,;.2,-9.02,;.66,-6.39,;-4.24,.37,;-5.57,-.4,;-6.9,.37,;-6.9,1.91,;-8.28,2.6,;-5.57,2.68,;-5.57,4.22,;-6.82,5.12,;-8.26,4.58,;-6.34,6.59,;-4.8,6.59,;-4.03,7.92,;-4.32,5.12,;-2.86,4.65,;-4.24,1.91,;-.34,1.3,;.6,.08,;2.51,4.28,;1.96,5.71,;2.92,6.91,;4.45,6.68,;5,5.24,;4.04,4.04,;2.37,8.35,;.85,8.58,;3.33,9.54,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-.87,5.64,;-.82,4.1,;.71,4.27,;1.62,3.02,;.99,1.61,;1.88,.35,;-.54,1.45,;-1.45,.21,;-1.05,-1.28,;.44,-1.68,;.84,-3.17,;2.33,-3.57,;2.72,-5.05,;1.64,-6.14,;2.03,-7.63,;.95,-8.72,;3.52,-8.03,;3.92,-9.52,;4.61,-6.94,;6.1,-7.34,;4.21,-5.45,;-2.91,.68,;-4.24,-.09,;-5.58,.68,;-5.58,2.22,;-6.94,2.95,;-4.24,2.99,;-4.2,4.53,;-5.44,5.44,;-6.88,4.89,;-4.97,6.9,;-3.43,6.9,;-2.54,8.16,;-2.95,5.44,;-1.5,4.94,;-2.91,2.22,;-1.45,2.7,;3.15,3.18,;4.09,1.96,;5.61,2.16,;6.55,.94,;6.2,3.58,;5.27,4.8,;5.55,6.32,;6.94,6.98,;4.19,7.05,;3.08,5.99,;3.74,4.6,;3.99,8.58,;2.57,9.17,;5.22,9.52,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OC(F)(F)F)cc2cc(C(O)=O)n(Cc3cc(C)ccn3)c12 |r,wD:1.0,(-.96,4.42,;-.96,2.88,;.57,3.04,;1.47,1.8,;.85,.39,;1.74,-.86,;-.69,.23,;-1.59,-1.02,;-1.12,-2.48,;.39,-2.81,;.87,-4.27,;2.38,-4.6,;2.86,-6.06,;4.38,-6.33,;4.91,-7.78,;6.41,-8.1,;3.92,-8.96,;4.39,-10.42,;2.4,-8.69,;1.43,-9.89,;1.87,-7.24,;-3.06,-.54,;-4.39,-1.31,;-5.72,-.54,;-5.72,1,;-7.09,1.71,;-4.39,1.77,;-4.39,3.31,;-5.64,4.21,;-7.08,3.68,;-5.16,5.68,;-3.62,5.68,;-2.68,6.9,;-3.14,4.21,;-1.66,3.8,;-3.06,1,;-1.59,1.47,;3.01,1.94,;3.9,.69,;5.43,.84,;6.33,-.42,;5.69,-1.82,;4.29,-1.18,;7.09,-2.46,;5.05,-3.22,;6.07,2.24,;5.18,3.49,;5.51,5,;4.18,5.78,;4.03,7.31,;5.29,8.2,;2.63,7.95,;3.03,4.76,;1.52,5.09,;.75,6.42,;1.52,7.76,;.75,9.09,;1.52,10.42,;-.79,9.09,;-1.56,7.76,;-.79,6.42,;3.64,3.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(CCN5CCCC5)c4C)c3n12)c1cccc2n(C)c(cc12)C(O)=O |r,wD:1.0,(-.82,3.69,;-.82,2.15,;.72,2.31,;1.62,1.06,;1,-.34,;1.93,-1.57,;-.54,-.5,;-1.44,-1.75,;-.94,-3.21,;.56,-3.56,;1.08,-5.01,;2.58,-5.36,;3.05,-6.82,;4.56,-7.12,;5.06,-8.57,;6.57,-8.9,;4.05,-9.73,;4.54,-11.2,;2.54,-9.44,;1.58,-10.64,;2.04,-7.98,;-2.91,-1.27,;-4.24,-2.04,;-5.57,-1.27,;-5.57,.27,;-6.94,.97,;-4.24,1.04,;-4.24,2.58,;-5.49,3.48,;-6.92,2.92,;-5.01,4.95,;-3.47,4.95,;-2.55,6.18,;-3.15,7.59,;-2.23,8.83,;-.69,8.83,;-.21,10.29,;-1.46,11.2,;-2.7,10.29,;-2.99,3.48,;-1.53,2.99,;-2.91,.27,;-1.44,.74,;3.15,1.22,;4.09,0,;5.62,.2,;6.21,1.63,;5.27,2.85,;5.55,4.36,;6.94,5.02,;4.2,5.1,;3.08,4.04,;3.74,2.65,;4,6.62,;2.57,7.21,;5.22,7.56,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncn(CC3COC3)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,2.71,;-.81,1.17,;.72,1.33,;1.62,.09,;3.16,.25,;4.22,-.87,;5.61,-.21,;6.96,-.94,;5.41,1.32,;6.41,2.49,;5.89,3.94,;4.38,4.22,;3.38,3.05,;3.89,1.6,;3.86,5.68,;4.77,6.92,;3.86,8.17,;2.4,7.69,;1.07,8.46,;1.07,10,;2.15,11.09,;1.07,12.18,;-.02,11.09,;2.4,6.15,;1,-1.32,;1.91,-2.56,;-.53,-1.48,;-1.44,-2.73,;-.99,-4.2,;.51,-4.57,;.96,-6.04,;2.46,-6.38,;2.99,-7.83,;1.99,-9,;2.51,-10.45,;1.54,-11.64,;4.03,-10.72,;4.53,-12.18,;5.02,-9.55,;6.53,-9.88,;4.5,-8.1,;-2.9,-2.25,;-4.24,-3.02,;-5.57,-2.25,;-5.57,-.71,;-6.96,-.04,;-4.24,.06,;-4.24,1.6,;-5.48,2.5,;-6.95,2.03,;-5.01,3.97,;-3.47,3.97,;-2.7,5.3,;-2.99,2.5,;-1.53,2.03,;-2.9,-.71,;-1.44,-.23,)|
CN(C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1CCN1CCOCC1)c1cccc(c1)C(O)=O |(.5,4.05,;1.29,2.72,;.5,1.4,;1.26,.06,;-1.04,1.45,;-1.94,.2,;-1.5,-1.27,;-.02,-1.7,;.39,-3.19,;1.86,-3.63,;2.26,-5.12,;3.77,-5.45,;4.23,-6.92,;5.72,-7.3,;3.19,-8.05,;3.57,-9.55,;1.69,-7.72,;.65,-8.86,;1.22,-6.26,;-3.41,.68,;-4.74,-.09,;-6.07,.68,;-6.07,2.22,;-7.44,2.92,;-4.74,2.99,;-4.69,4.53,;-3.44,5.43,;-1.97,4.97,;-3.92,6.9,;-5.46,6.9,;-6.34,8.16,;-5.94,5.43,;-7.38,4.89,;-3.41,2.22,;-1.94,2.69,;-1.47,4.16,;-.14,4.93,;-.14,6.47,;-1.47,7.24,;-1.47,8.78,;-.14,9.55,;1.2,8.78,;1.2,7.24,;2.83,2.72,;3.6,1.39,;5.14,1.39,;5.91,2.72,;5.14,4.06,;3.6,4.06,;5.9,5.39,;7.44,5.39,;5.12,6.72,)|
CN(C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1CCN1CCOCC1)c1ccc(cc1)C(O)=O |(.11,4.05,;.9,2.72,;.11,1.4,;.87,.06,;-1.42,1.45,;-2.33,.2,;-1.89,-1.27,;-.41,-1.7,;0,-3.19,;1.48,-3.63,;1.87,-5.12,;3.38,-5.45,;3.84,-6.92,;5.33,-7.3,;2.8,-8.05,;3.18,-9.55,;1.3,-7.72,;.26,-8.86,;.83,-6.26,;-3.79,.68,;-5.13,-.09,;-6.46,.68,;-6.46,2.22,;-7.83,2.92,;-5.13,2.99,;-5.08,4.53,;-3.83,5.43,;-2.36,4.97,;-4.31,6.9,;-5.85,6.9,;-6.73,8.16,;-6.32,5.43,;-7.76,4.89,;-3.79,2.22,;-2.33,2.69,;-1.86,4.16,;-.52,4.93,;-.52,6.47,;-1.86,7.24,;-1.86,8.78,;-.52,9.55,;.81,8.78,;.81,7.24,;2.44,2.72,;3.21,4.06,;4.75,4.06,;5.52,2.72,;4.75,1.39,;3.21,1.39,;7.06,2.72,;7.83,4.05,;7.81,1.37,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1cccc(c1)C(O)=O |(-2.36,5.05,;-3.83,5.51,;-4.3,6.98,;-5.84,6.98,;-6.72,8.24,;-6.32,5.51,;-7.76,4.97,;-5.07,4.61,;-5.12,3.07,;-6.46,2.3,;-7.82,3.01,;-6.46,.76,;-5.12,-.01,;-3.79,.76,;-2.32,.28,;-1.88,-1.19,;-.4,-1.62,;.01,-3.11,;1.48,-3.55,;1.88,-5.04,;3.38,-5.37,;3.85,-6.84,;5.34,-7.22,;2.81,-7.97,;3.18,-9.47,;1.31,-7.64,;.27,-8.78,;.84,-6.17,;-1.42,1.53,;-2.32,2.77,;-3.79,2.3,;.12,1.48,;.88,.14,;.91,2.8,;2.45,2.78,;3.24,4.1,;2.45,5.44,;.91,5.44,;.11,4.1,;3.21,6.78,;2.45,8.13,;3.21,9.46,;4.75,9.46,;5.51,8.13,;4.75,6.79,;7.05,8.13,;7.82,6.8,;7.82,9.47,)|
CN(C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1CCN1CCOCC1)c1cc(cc2n(C)ccc12)C(O)=O |(.55,4.05,;1.3,2.71,;.52,1.39,;1.27,.04,;-1.02,1.44,;-1.93,.19,;-1.48,-1.29,;-.01,-1.71,;.4,-3.2,;1.88,-3.64,;2.28,-5.13,;3.78,-5.46,;4.25,-6.93,;5.74,-7.31,;3.21,-8.07,;3.58,-9.56,;1.7,-7.73,;.66,-8.87,;1.24,-6.27,;-3.39,.67,;-4.73,-.1,;-6.06,.67,;-6.06,2.21,;-7.43,2.91,;-4.73,2.98,;-4.68,4.52,;-3.43,5.42,;-1.96,4.96,;-3.91,6.88,;-5.45,6.88,;-6.32,8.15,;-5.92,5.42,;-7.36,4.87,;-3.39,2.21,;-1.93,2.68,;-1.53,4.17,;-.19,4.94,;-.19,6.48,;1.14,7.25,;1.14,8.79,;-.19,9.56,;-1.53,8.79,;-1.53,7.25,;2.84,2.69,;3.58,1.34,;5.12,1.34,;5.92,2.69,;5.12,4.04,;5.6,5.51,;7.09,5.91,;4.35,6.41,;3.11,5.51,;3.58,4.04,;5.89,.01,;5.11,-1.32,;7.43,-0,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3cncc(c3)C(O)=O)n(Cc3cccnc3)c12 |(-2.4,6.33,;-3.87,6.79,;-4.35,8.25,;-5.89,8.25,;-6.76,9.52,;-6.36,6.79,;-7.8,6.24,;-5.12,5.88,;-5.12,4.34,;-6.45,3.57,;-7.82,4.28,;-6.45,2.03,;-5.12,1.26,;-3.78,2.03,;-2.32,1.56,;-1.84,.09,;-2.87,-1.05,;-2.4,-2.52,;-3.43,-3.66,;-2.95,-5.13,;-3.98,-6.27,;-3.51,-7.73,;-4.54,-8.88,;-2,-8.05,;-1.53,-9.52,;-.97,-6.91,;.54,-7.23,;-1.45,-5.45,;-1.41,2.8,;.12,2.75,;.91,4.08,;.88,1.41,;.08,.1,;.88,-1.26,;2.42,-1.26,;3.22,.1,;2.42,1.41,;3.18,-2.59,;2.4,-3.92,;3.18,-5.26,;4.72,-5.26,;5.51,-3.92,;4.72,-2.59,;7.05,-3.91,;7.82,-5.25,;7.81,-2.58,;-2.32,4.05,;-1.92,5.54,;-.59,6.31,;.75,5.54,;2.08,6.31,;2.08,7.85,;.75,8.62,;-.59,7.85,;-3.78,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3cccc(c3)C(O)=O)n(Cc3cccnc3)c12 |(-2.4,6.33,;-3.87,6.79,;-4.35,8.25,;-5.89,8.25,;-6.76,9.52,;-6.36,6.79,;-7.8,6.24,;-5.12,5.88,;-5.12,4.34,;-6.45,3.57,;-7.82,4.28,;-6.45,2.03,;-5.12,1.26,;-3.78,2.03,;-2.32,1.56,;-1.84,.09,;-2.87,-1.05,;-2.4,-2.52,;-3.43,-3.66,;-2.95,-5.13,;-3.98,-6.27,;-3.51,-7.73,;-4.54,-8.88,;-2,-8.05,;-1.53,-9.52,;-.97,-6.91,;.54,-7.23,;-1.45,-5.45,;-1.41,2.8,;.12,2.75,;.91,4.08,;.88,1.41,;.08,.1,;.88,-1.26,;2.42,-1.26,;3.22,.1,;2.42,1.41,;3.18,-2.59,;2.4,-3.92,;3.18,-5.26,;4.72,-5.26,;5.51,-3.92,;4.72,-2.59,;7.05,-3.91,;7.82,-5.25,;7.81,-2.58,;-2.32,4.05,;-1.92,5.54,;-.59,6.31,;.75,5.54,;2.08,6.31,;2.08,7.85,;.75,8.62,;-.59,7.85,;-3.78,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1ccc(nc1)C(O)=O |(-6.93,3.37,;-5.47,3.84,;-4.99,5.31,;-3.45,5.31,;-2.55,6.55,;-2.97,3.84,;-1.51,3.37,;-4.22,2.94,;-4.22,1.4,;-5.55,.63,;-6.89,1.4,;-5.55,-.91,;-4.22,-1.68,;-2.89,-.91,;-1.42,-1.39,;-1.02,-2.88,;.46,-3.28,;.86,-4.76,;2.35,-5.16,;2.75,-6.65,;4.24,-7.05,;4.63,-8.54,;6.12,-8.93,;3.55,-9.62,;3.94,-11.11,;2.06,-9.23,;.97,-10.31,;1.66,-7.74,;-.52,-.14,;-1.42,1.1,;-2.89,.63,;1.01,.02,;1.92,-1.23,;1.64,1.42,;3.17,1.59,;3.8,2.99,;2.89,4.24,;1.36,4.08,;.74,2.67,;3.52,5.64,;5.05,5.81,;5.68,7.21,;4.77,8.46,;3.24,8.3,;2.62,6.89,;5.4,9.87,;6.93,10.03,;4.49,11.11,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccc(nc3)C(O)=O)n(Cc3cccnc3)c12 |(-8.01,6.33,;-6.54,6.79,;-6.06,8.25,;-4.52,8.25,;-3.64,9.52,;-4.05,6.79,;-2.61,6.24,;-5.29,5.88,;-5.29,4.34,;-6.62,3.57,;-7.99,4.28,;-6.62,2.03,;-5.29,1.26,;-3.96,2.03,;-2.49,1.56,;-2.02,.09,;-3.05,-1.05,;-2.57,-2.52,;-3.6,-3.66,;-3.13,-5.13,;-4.16,-6.27,;-3.68,-7.73,;-4.71,-8.88,;-2.17,-8.05,;-1.7,-9.52,;-1.14,-6.91,;.36,-7.23,;-1.62,-5.45,;-1.59,2.8,;-.06,2.99,;.55,4.4,;.87,1.75,;.24,.35,;1.21,-.89,;2.74,-.69,;3.36,.76,;2.39,1.96,;3.67,-1.92,;3.07,-3.33,;4.02,-4.56,;5.55,-4.36,;6.15,-2.93,;5.2,-1.71,;6.48,-5.58,;5.89,-7,;8.01,-5.39,;-2.49,4.05,;-2.09,5.54,;-.76,6.31,;.57,5.54,;1.91,6.31,;1.91,7.85,;.57,8.62,;-.76,7.85,;-3.96,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1ccnc(c1)C(O)=O |(-8.31,6.33,;-6.84,6.79,;-6.37,8.25,;-4.83,8.25,;-3.95,9.52,;-4.35,6.79,;-2.91,6.24,;-5.6,5.88,;-5.6,4.34,;-6.93,3.57,;-8.3,4.28,;-6.93,2.03,;-5.6,1.26,;-4.26,2.03,;-2.8,1.56,;-2.32,.09,;-3.35,-1.05,;-2.88,-2.52,;-3.91,-3.66,;-3.43,-5.13,;-4.46,-6.27,;-3.98,-7.73,;-5.02,-8.88,;-2.48,-8.05,;-2,-9.52,;-1.45,-6.91,;.06,-7.23,;-1.92,-5.45,;-1.89,2.8,;-2.8,4.05,;-4.26,3.57,;-.36,2.99,;.24,4.4,;.56,1.75,;-.06,.35,;.91,-.89,;2.44,-.69,;3.05,.76,;2.09,1.96,;3.37,-1.92,;2.76,-3.33,;3.71,-4.56,;5.24,-4.36,;5.84,-2.93,;4.89,-1.71,;7.37,-2.72,;8.31,-3.94,;7.96,-1.3,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccccc3C(O)=O)n(Cc3cccnc3)c12 |(-7.66,6.33,;-6.19,6.79,;-5.71,8.25,;-4.17,8.25,;-3.29,9.52,;-3.69,6.79,;-2.25,6.24,;-4.94,5.88,;-4.94,4.34,;-6.27,3.57,;-7.64,4.28,;-6.27,2.03,;-4.94,1.26,;-3.61,2.03,;-2.14,1.56,;-1.67,.09,;-2.7,-1.05,;-2.22,-2.52,;-3.25,-3.66,;-2.77,-5.13,;-3.81,-6.27,;-3.33,-7.73,;-4.36,-8.88,;-1.82,-8.05,;-1.35,-9.52,;-.79,-6.91,;.71,-7.23,;-1.27,-5.45,;-1.24,2.8,;.29,2.99,;.9,4.4,;1.22,1.75,;.59,.35,;1.56,-.89,;3.09,-.69,;3.71,.76,;2.74,1.96,;4.02,-1.92,;3.42,-3.33,;4.37,-4.56,;5.9,-4.36,;6.5,-2.93,;5.55,-1.71,;6.13,-.29,;7.66,-.08,;5.19,.93,;-2.14,4.05,;-1.74,5.54,;-.41,6.31,;.92,5.54,;2.26,6.31,;2.26,7.85,;.92,8.62,;-.41,7.85,;-3.61,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1cncc(c1)C(O)=O |(-8.31,6.33,;-6.84,6.79,;-6.37,8.25,;-4.83,8.25,;-3.95,9.52,;-4.35,6.79,;-2.91,6.24,;-5.6,5.88,;-5.6,4.34,;-6.93,3.57,;-8.3,4.28,;-6.93,2.03,;-5.6,1.26,;-4.26,2.03,;-2.8,1.56,;-2.32,.09,;-3.35,-1.05,;-2.88,-2.52,;-3.91,-3.66,;-3.43,-5.13,;-4.46,-6.27,;-3.98,-7.73,;-5.02,-8.88,;-2.48,-8.05,;-2,-9.52,;-1.45,-6.91,;.06,-7.23,;-1.92,-5.45,;-1.89,2.8,;-2.8,4.05,;-4.26,3.57,;-.36,2.99,;.24,4.4,;.56,1.75,;-.06,.35,;.91,-.89,;2.44,-.69,;3.05,.76,;2.09,1.96,;3.37,-1.92,;2.76,-3.33,;3.71,-4.56,;5.24,-4.36,;5.84,-2.93,;4.89,-1.71,;7.37,-2.72,;8.31,-3.94,;7.96,-1.3,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3cc(ccn3)C(O)=O)n(Cc3cccnc3)c12 |(-8.31,6.33,;-6.84,6.79,;-6.37,8.25,;-4.83,8.25,;-3.95,9.52,;-4.35,6.79,;-2.91,6.24,;-5.6,5.88,;-5.6,4.34,;-6.93,3.57,;-8.3,4.28,;-6.93,2.03,;-5.6,1.26,;-4.26,2.03,;-2.8,1.56,;-2.32,.09,;-3.35,-1.05,;-2.88,-2.52,;-3.91,-3.66,;-3.43,-5.13,;-4.46,-6.27,;-3.98,-7.73,;-5.02,-8.88,;-2.48,-8.05,;-2,-9.52,;-1.45,-6.91,;.06,-7.23,;-1.92,-5.45,;-1.89,2.8,;-.36,2.99,;.24,4.4,;.56,1.75,;-.06,.35,;.91,-.89,;2.44,-.69,;3.05,.76,;2.09,1.96,;3.37,-1.92,;4.89,-1.71,;5.84,-2.93,;5.24,-4.36,;3.71,-4.56,;2.76,-3.33,;7.37,-2.72,;8.31,-3.94,;7.96,-1.3,;-2.8,4.05,;-2.4,5.54,;-1.06,6.31,;.27,5.54,;1.6,6.31,;1.6,7.85,;.27,8.62,;-1.06,7.85,;-4.26,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c(C(=O)N3CCN(CC3)c3ccnc(c3)C(O)=O)n(Cc3cccnc3)c12 |(-8.31,6.33,;-6.84,6.79,;-6.37,8.25,;-4.83,8.25,;-3.95,9.52,;-4.35,6.79,;-2.91,6.24,;-5.6,5.88,;-5.6,4.34,;-6.93,3.57,;-8.3,4.28,;-6.93,2.03,;-5.6,1.26,;-4.26,2.03,;-2.8,1.56,;-2.32,.09,;-3.35,-1.05,;-2.88,-2.52,;-3.91,-3.66,;-3.43,-5.13,;-4.46,-6.27,;-3.98,-7.73,;-5.02,-8.88,;-2.48,-8.05,;-2,-9.52,;-1.45,-6.91,;.06,-7.23,;-1.92,-5.45,;-1.89,2.8,;-.36,2.99,;.24,4.4,;.56,1.75,;-.06,.35,;.91,-.89,;2.44,-.69,;3.05,.76,;2.09,1.96,;3.37,-1.92,;2.76,-3.33,;3.71,-4.56,;5.24,-4.36,;5.84,-2.93,;4.89,-1.71,;7.37,-2.72,;8.31,-3.94,;7.96,-1.3,;-2.8,4.05,;-2.4,5.54,;-1.06,6.31,;.27,5.54,;1.6,6.31,;1.6,7.85,;.27,8.62,;-1.06,7.85,;-4.26,3.57,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1cc(ccn1)C(O)=O |(-8.31,6.33,;-6.84,6.79,;-6.37,8.25,;-4.83,8.25,;-3.95,9.52,;-4.35,6.79,;-2.91,6.24,;-5.6,5.88,;-5.6,4.34,;-6.93,3.57,;-8.3,4.28,;-6.93,2.03,;-5.6,1.26,;-4.26,2.03,;-2.8,1.56,;-2.32,.09,;-3.35,-1.05,;-2.88,-2.52,;-3.91,-3.66,;-3.43,-5.13,;-4.46,-6.27,;-3.98,-7.73,;-5.02,-8.88,;-2.48,-8.05,;-2,-9.52,;-1.45,-6.91,;.06,-7.23,;-1.92,-5.45,;-1.89,2.8,;-2.8,4.05,;-4.26,3.57,;-.36,2.99,;.24,4.4,;.56,1.75,;-.06,.35,;.91,-.89,;2.44,-.69,;3.05,.76,;2.09,1.96,;3.37,-1.92,;4.89,-1.71,;5.84,-2.93,;5.24,-4.36,;3.71,-4.56,;2.76,-3.33,;7.37,-2.72,;8.31,-3.94,;7.96,-1.3,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCCc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N1CCN(CC1)c1ccccc1C(O)=O |(-7.66,6.33,;-6.19,6.79,;-5.71,8.25,;-4.17,8.25,;-3.29,9.52,;-3.69,6.79,;-2.25,6.24,;-4.94,5.88,;-4.94,4.34,;-6.27,3.57,;-7.64,4.28,;-6.27,2.03,;-4.94,1.26,;-3.61,2.03,;-2.14,1.56,;-1.67,.09,;-2.7,-1.05,;-2.22,-2.52,;-3.25,-3.66,;-2.77,-5.13,;-3.81,-6.27,;-3.33,-7.73,;-4.36,-8.88,;-1.82,-8.05,;-1.35,-9.52,;-.79,-6.91,;.71,-7.23,;-1.27,-5.45,;-1.24,2.8,;-2.14,4.05,;-3.61,3.57,;.29,2.99,;.9,4.4,;1.22,1.75,;.59,.35,;1.56,-.89,;3.09,-.69,;3.71,.76,;2.74,1.96,;4.02,-1.92,;3.42,-3.33,;4.37,-4.56,;5.9,-4.36,;6.5,-2.93,;5.55,-1.71,;6.13,-.29,;7.66,-.08,;5.19,.93,)|
Cc1cc(OCCCc2c([nH]c3c(c(Cl)ccc23)-c2c(C)ncnc2C)C(=O)N2CCC(C2)C(O)=O)cc(C)c1Cl |(6.66,-6.1,;5.16,-5.76,;4.7,-4.29,;3.2,-3.95,;2.76,-2.56,;1.27,-2.17,;.84,-.83,;-.7,-.44,;-1.18,1,;-.27,2.25,;-1.18,3.46,;-2.63,2.98,;-3.97,3.75,;-5.22,2.98,;-6.67,3.75,;-5.22,1.44,;-3.92,.71,;-2.67,1.48,;-3.97,5.29,;-5.31,6.06,;-6.64,5.29,;-5.31,7.6,;-3.97,8.37,;-2.64,7.6,;-2.64,6.06,;-1.31,5.29,;1.27,2.25,;2.04,.92,;2.04,3.59,;1.57,5.05,;2.81,5.96,;4.06,5.05,;3.58,3.59,;5.52,5.53,;5.84,7.03,;6.67,4.5,;2.15,-5.08,;2.61,-6.56,;1.56,-7.69,;4.11,-6.9,;4.57,-8.37,)|
Cc1cc(OCCCc2c([nH]c3c(c(Cl)ccc23)-c2c(C)ncnc2C)C(=O)NC2CCC(CC2)C(O)=O)cc(C)c1Cl |(5.51,-6.1,;4,-5.76,;3.55,-4.29,;2.05,-3.95,;1.61,-2.56,;.12,-2.17,;-.31,-.83,;-1.85,-.44,;-2.33,1,;-1.42,2.25,;-2.33,3.46,;-3.78,2.98,;-5.13,3.75,;-6.38,2.98,;-7.82,3.75,;-6.38,1.44,;-5.08,.71,;-3.83,1.48,;-5.13,5.29,;-6.46,6.06,;-7.79,5.29,;-6.46,7.6,;-5.13,8.37,;-3.79,7.6,;-3.79,6.06,;-2.46,5.29,;.12,2.25,;.89,.92,;.89,3.59,;2.43,3.59,;3.2,2.25,;4.74,2.25,;5.51,3.59,;4.74,4.92,;3.2,4.92,;7.05,3.59,;7.82,2.25,;7.82,4.92,;1,-5.08,;1.46,-6.56,;.41,-7.69,;2.96,-6.9,;3.41,-8.37,)|
Cc1cc(OCCCc2c([nH]c3c(c(Cl)ccc23)-c2c(C)ncnc2C)C(=O)NCc2cccc(c2)C(O)=O)cc(C)c1Cl |(1.33,-8.57,;2.44,-7.5,;2.14,-5.99,;3.29,-4.97,;2.87,-3.49,;1.37,-3.12,;.9,-1.65,;-.58,-1.24,;-1.14,.2,;-.24,1.44,;-1.14,2.69,;-2.61,2.21,;-3.94,2.98,;-5.28,2.21,;-6.69,2.82,;-5.28,.67,;-3.94,-.1,;-2.61,.67,;-3.89,4.52,;-5.23,5.29,;-6.58,4.55,;-5.23,6.83,;-3.89,7.6,;-2.56,6.83,;-2.56,5.29,;-1.16,4.65,;1.3,1.44,;2.07,.11,;2.07,2.78,;3.61,2.78,;4.38,4.11,;5.92,4.11,;6.69,5.44,;5.92,6.78,;4.38,6.78,;3.61,5.44,;3.61,8.11,;2.07,8.11,;4.38,9.44,;4.75,-5.46,;5.06,-6.97,;6.56,-7.33,;3.91,-7.99,;4.41,-9.44,)|
COc1ccnc(Cn2c(cc3c(OC)ccc(N4C[C@@H](C)n5c(c(CCCOc6cc(C)c(Cl)c(C)c6)c6ccc(Cl)c(-c7c(C)ncnc7C)c56)C4=O)c23)C(O)=O)c1 |r,wD:20.20,(.04,11.09,;.81,9.76,;.04,8.42,;-1.5,8.42,;-2.27,7.09,;-1.5,5.76,;.04,5.76,;.81,4.42,;2.32,4.09,;3.47,5.11,;4.8,4.33,;4.46,2.83,;5.36,1.57,;6.89,1.72,;7.8,.48,;4.72,.17,;3.19,.02,;2.29,1.28,;.76,1.13,;-.15,2.38,;-1.68,2.21,;-1.68,3.75,;-2.3,.81,;-1.4,-.44,;-2.3,-1.68,;-1.83,-3.15,;-.33,-3.48,;.16,-4.94,;1.66,-5.27,;2.15,-6.73,;3.67,-7,;4.19,-8.45,;5.7,-8.76,;3.2,-9.62,;3.68,-11.09,;1.69,-9.36,;.72,-10.55,;1.16,-7.91,;-3.77,-1.21,;-5.1,-1.98,;-6.44,-1.21,;-6.44,.33,;-7.8,1.04,;-5.1,1.1,;-5.1,2.64,;-6.44,3.41,;-7.77,2.64,;-6.44,4.95,;-5.1,5.72,;-3.77,4.95,;-3.77,3.41,;-2.43,2.64,;-3.77,.33,;.13,-.28,;1.03,-1.53,;2.93,2.68,;3.32,6.64,;4.57,7.54,;1.92,7.28,;.81,7.09,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(Cc3cccc(C)n3)c(cc12)C(O)=O |r,wD:8.8,(7.8,1.15,;6.89,2.39,;5.36,2.24,;4.72,.84,;3.19,.69,;2.29,1.94,;.76,1.8,;-.15,3.04,;-1.68,2.88,;-1.68,4.42,;-2.3,1.47,;-1.4,.23,;-2.3,-1.02,;-1.83,-2.48,;-.33,-2.81,;.16,-4.27,;1.66,-4.6,;2.15,-6.06,;3.67,-6.33,;4.19,-7.78,;5.7,-8.1,;3.2,-8.96,;3.68,-10.42,;1.69,-8.69,;.72,-9.89,;1.16,-7.24,;-3.77,-.54,;-5.1,-1.31,;-6.44,-.54,;-6.44,1,;-7.8,1.71,;-5.1,1.77,;-5.1,3.31,;-6.44,4.08,;-7.77,3.31,;-6.44,5.62,;-5.1,6.39,;-3.77,5.62,;-3.77,4.08,;-2.43,3.31,;-3.77,1,;.13,.39,;1.03,-.86,;2.93,3.34,;2.32,4.76,;.81,5.09,;.04,6.42,;-1.5,6.42,;-2.27,7.76,;-1.5,9.09,;.04,9.09,;.81,10.42,;.81,7.76,;3.47,5.78,;4.8,5,;4.46,3.49,;3.32,7.31,;4.57,8.2,;1.92,7.95,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(Cc3ccc(C)cn3)c(cc12)C(O)=O |r,wD:8.8,(7.8,1.15,;6.89,2.39,;5.36,2.24,;4.72,.84,;3.19,.69,;2.29,1.94,;.76,1.8,;-.15,3.04,;-1.68,2.88,;-1.68,4.42,;-2.3,1.47,;-1.4,.23,;-2.3,-1.02,;-1.83,-2.48,;-.33,-2.81,;.16,-4.27,;1.66,-4.6,;2.15,-6.06,;3.67,-6.33,;4.19,-7.78,;5.7,-8.1,;3.2,-8.96,;3.68,-10.42,;1.69,-8.69,;.72,-9.89,;1.16,-7.24,;-3.77,-.54,;-5.1,-1.31,;-6.44,-.54,;-6.44,1,;-7.8,1.71,;-5.1,1.77,;-5.1,3.31,;-6.44,4.08,;-7.77,3.31,;-6.44,5.62,;-5.1,6.39,;-3.77,5.62,;-3.77,4.08,;-2.43,3.31,;-3.77,1,;.13,.39,;1.03,-.86,;2.93,3.34,;2.32,4.76,;.81,5.09,;.04,6.42,;-1.5,6.42,;-2.27,7.76,;-1.5,9.09,;-2.27,10.42,;.04,9.09,;.81,7.76,;3.47,5.78,;4.8,5,;4.46,3.49,;3.32,7.31,;4.57,8.2,;1.92,7.95,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OC(F)(F)F)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.96,5.53,;-.96,3.99,;.57,4.15,;1.47,2.91,;.85,1.5,;1.74,.25,;-.69,1.34,;-1.59,.09,;-1.12,-1.37,;.39,-1.7,;.87,-3.16,;2.38,-3.49,;2.86,-4.95,;4.38,-5.22,;4.91,-6.67,;6.41,-6.99,;3.92,-7.85,;4.39,-9.31,;2.4,-7.58,;1.43,-8.78,;1.87,-6.13,;-3.06,.57,;-4.39,-.2,;-5.72,.57,;-5.72,2.11,;-7.09,2.81,;-4.39,2.88,;-4.39,4.42,;-5.64,5.32,;-7.08,4.79,;-5.16,6.79,;-3.62,6.79,;-2.68,8.01,;-3.14,5.32,;-1.66,4.91,;-3.06,2.11,;-1.59,2.58,;3.01,3.05,;3.9,1.8,;5.43,1.95,;6.33,.69,;5.69,-.71,;4.29,-.07,;7.09,-1.35,;5.05,-2.11,;6.07,3.35,;5.18,4.6,;5.51,6.11,;4.18,6.89,;4.03,8.42,;5.29,9.31,;2.63,9.06,;3.03,5.87,;1.52,6.2,;3.64,4.45,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(Cc3cc(C)ccn3)c12)C(O)=O |r,wD:1.0,(-1.5,4.51,;-1.5,2.97,;.03,3.13,;.94,1.89,;.31,.48,;1.21,-.77,;-1.22,.32,;-2.12,-.93,;-1.65,-2.39,;-.15,-2.72,;.34,-4.18,;1.84,-4.51,;2.33,-5.97,;3.85,-6.24,;4.37,-7.69,;5.88,-8.01,;3.38,-8.87,;3.86,-10.33,;1.87,-8.6,;.9,-9.8,;1.34,-7.15,;-3.59,-.45,;-4.92,-1.22,;-6.26,-.45,;-6.26,1.09,;-7.63,1.8,;-4.92,1.86,;-4.92,3.4,;-6.17,4.3,;-7.61,3.77,;-5.69,5.77,;-4.15,5.77,;-3.21,6.99,;-3.68,4.3,;-2.19,3.89,;-3.59,1.09,;-2.12,1.57,;2.47,2.03,;3.37,.78,;4.9,.93,;5.54,2.33,;4.64,3.58,;4.97,5.09,;3.65,5.87,;2.49,4.85,;.99,5.18,;-.1,6.27,;.3,7.76,;-.79,8.85,;-.39,10.33,;-2.28,8.45,;-2.67,6.96,;-1.59,5.87,;3.11,3.44,;6.39,5.7,;6.56,7.23,;7.63,4.79,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCc2ccccn2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.8,5.53,;-1.8,3.99,;-.27,4.15,;.63,2.91,;.01,1.5,;.9,.25,;-1.53,1.34,;-2.43,.09,;-1.96,-1.37,;-.45,-1.7,;.03,-3.16,;1.54,-3.49,;2.03,-4.95,;3.54,-5.22,;4.07,-6.67,;5.57,-6.99,;3.08,-7.85,;3.55,-9.31,;1.56,-7.58,;.59,-8.78,;1.03,-6.13,;-3.89,.57,;-5.23,-.2,;-6.56,.57,;-6.56,2.11,;-7.93,2.81,;-5.23,2.88,;-5.23,4.42,;-6.47,5.32,;-7.92,4.79,;-6,6.79,;-4.46,6.79,;-3.52,8.01,;-3.98,5.32,;-2.5,4.91,;-3.89,2.11,;-2.43,2.58,;2.17,3.05,;3.06,1.8,;4.59,1.95,;5.49,.69,;4.85,-.71,;5.62,-2.04,;4.85,-3.38,;5.62,-4.71,;7.16,-4.71,;7.93,-3.38,;7.16,-2.04,;5.23,3.35,;4.34,4.6,;4.67,6.11,;3.34,6.89,;3.19,8.42,;4.45,9.31,;1.79,9.06,;2.19,5.87,;.69,6.2,;2.8,4.45,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(CN(C)C)nc5C)c34)C2=O)c2n(Cc3ccccn3)c(cc12)C(O)=O |r,wD:8.8,(7.8,1.24,;6.89,2.48,;5.36,2.33,;4.72,.93,;3.19,.78,;2.29,2.03,;.76,1.89,;-.15,3.13,;-1.68,2.97,;-1.68,4.51,;-2.3,1.57,;-1.4,.32,;-2.3,-.92,;-1.83,-2.39,;-.33,-2.72,;.16,-4.18,;1.66,-4.51,;2.15,-5.97,;3.67,-6.24,;4.19,-7.69,;5.7,-8.01,;3.2,-8.87,;3.68,-10.33,;1.69,-8.6,;.72,-9.8,;1.16,-7.15,;-3.77,-.45,;-5.1,-1.22,;-6.44,-.45,;-6.44,1.09,;-7.8,1.8,;-5.1,1.86,;-5.1,3.4,;-6.44,4.17,;-7.77,3.4,;-6.44,5.71,;-5.1,6.48,;-5.1,8.02,;-6.44,8.79,;-6.44,10.33,;-7.77,8.02,;-3.77,5.71,;-3.77,4.17,;-2.43,3.4,;-3.77,1.09,;.13,.48,;1.03,-.77,;2.93,3.44,;2.32,4.85,;.81,5.18,;.04,6.51,;-1.5,6.51,;-2.27,7.85,;-1.5,9.18,;.04,9.18,;.81,7.85,;3.47,5.87,;4.8,5.09,;4.46,3.58,;3.32,7.4,;4.57,8.3,;1.92,8.04,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(CN(C)C)nc5C)c34)C2=O)c2n(C)c(cc12)C(O)=O |r,wD:8.8,(7.8,1.24,;6.89,2.48,;5.36,2.33,;4.72,.93,;3.19,.78,;2.29,2.03,;.76,1.89,;-.15,3.13,;-1.68,2.97,;-1.68,4.51,;-2.3,1.57,;-1.4,.32,;-2.3,-.92,;-1.83,-2.39,;-.33,-2.72,;.16,-4.18,;1.66,-4.51,;2.15,-5.97,;3.67,-6.24,;4.19,-7.69,;5.7,-8.01,;3.2,-8.87,;3.68,-10.33,;1.69,-8.6,;.72,-9.8,;1.16,-7.15,;-3.77,-.45,;-5.1,-1.22,;-6.44,-.45,;-6.44,1.09,;-7.8,1.8,;-5.1,1.86,;-5.1,3.4,;-6.44,4.17,;-7.77,3.4,;-6.44,5.71,;-5.1,6.48,;-5.1,8.02,;-6.44,8.79,;-6.44,10.33,;-7.77,8.02,;-3.77,5.71,;-3.77,4.17,;-2.43,3.4,;-3.77,1.09,;.13,.48,;1.03,-.77,;2.93,3.44,;2.32,4.85,;.81,5.18,;3.47,5.87,;4.8,5.09,;4.46,3.58,;3.32,7.4,;4.57,8.3,;1.92,8.04,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCC2CC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.32,5.53,;-1.32,3.99,;.22,4.15,;1.12,2.91,;.49,1.5,;1.39,.25,;-1.04,1.34,;-1.94,.09,;-1.47,-1.37,;.04,-1.7,;.52,-3.16,;2.03,-3.49,;2.51,-4.95,;4.03,-5.22,;4.56,-6.67,;6.06,-6.99,;3.57,-7.85,;4.04,-9.31,;2.05,-7.58,;1.08,-8.78,;1.52,-6.13,;-3.41,.57,;-4.74,-.2,;-6.07,.57,;-6.07,2.11,;-7.44,2.81,;-4.74,2.88,;-4.74,4.42,;-5.99,5.32,;-7.43,4.79,;-5.51,6.79,;-3.97,6.79,;-3.03,8.01,;-3.49,5.32,;-2.01,4.91,;-3.41,2.11,;-1.94,2.58,;2.65,3.05,;3.55,1.8,;5.08,1.95,;5.98,.69,;5.34,-.71,;6.11,-2.04,;6.11,-3.58,;7.44,-2.81,;5.72,3.35,;4.82,4.6,;5.16,6.11,;3.83,6.89,;3.68,8.42,;4.94,9.31,;2.28,9.06,;2.68,5.87,;1.17,6.2,;3.29,4.45,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(NCCN2CCCC2)cc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-2.6,6.06,;-2.6,4.52,;-1.07,4.68,;-.17,3.44,;-.79,2.03,;.1,.78,;-2.32,1.87,;-3.23,.62,;-2.76,-.84,;-1.25,-1.17,;-.77,-2.63,;.74,-2.96,;1.23,-4.42,;2.74,-4.69,;3.27,-6.14,;4.77,-6.46,;2.28,-7.32,;2.75,-8.78,;.76,-7.05,;-.21,-8.25,;.24,-5.6,;-4.69,1.1,;-6.03,.33,;-7.36,1.1,;-7.36,2.64,;-8.73,3.35,;-6.03,3.41,;-6.03,4.95,;-7.27,5.85,;-8.72,5.32,;-6.8,7.32,;-5.26,7.32,;-4.32,8.54,;-4.78,5.85,;-3.3,5.44,;-4.69,2.64,;-3.23,3.12,;1.37,3.58,;2.26,2.33,;3.79,2.48,;4.69,1.23,;4.05,-.18,;4.82,-1.51,;6.36,-1.51,;7.27,-2.76,;8.73,-2.28,;8.73,-.74,;7.27,-.26,;4.43,3.88,;3.54,5.13,;3.87,6.64,;2.54,7.42,;1.39,6.4,;-.11,6.73,;2,4.99,;5.28,7.25,;5.45,8.78,;6.52,6.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCc2cccnc2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.8,5.53,;-1.8,3.99,;-.27,4.15,;.63,2.91,;.01,1.5,;.9,.25,;-1.53,1.34,;-2.43,.09,;-1.96,-1.37,;-.45,-1.7,;.03,-3.16,;1.54,-3.49,;2.03,-4.95,;3.54,-5.22,;4.07,-6.67,;5.57,-6.99,;3.08,-7.85,;3.55,-9.31,;1.56,-7.58,;.59,-8.78,;1.03,-6.13,;-3.89,.57,;-5.23,-.2,;-6.56,.57,;-6.56,2.11,;-7.93,2.81,;-5.23,2.88,;-5.23,4.42,;-6.47,5.32,;-7.92,4.79,;-6,6.79,;-4.46,6.79,;-3.52,8.01,;-3.98,5.32,;-2.5,4.91,;-3.89,2.11,;-2.43,2.58,;2.17,3.05,;3.06,1.8,;4.59,1.95,;5.49,.69,;4.85,-.71,;5.62,-2.04,;4.85,-3.38,;5.62,-4.71,;7.16,-4.71,;7.93,-3.38,;7.16,-2.04,;5.23,3.35,;4.34,4.6,;4.67,6.11,;3.34,6.89,;3.19,8.42,;4.45,9.31,;1.79,9.06,;2.19,5.87,;.69,6.2,;2.8,4.45,)|
C[C@@H]1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cc(O)cc4C)c3n12 |r,wD:1.0,(-.63,5.67,;-.63,4.13,;.91,4.29,;1.81,3.04,;1.18,1.64,;2.08,.38,;-.35,1.48,;-1.25,.23,;-.78,-1.24,;.73,-1.56,;1.21,-3.03,;2.72,-3.35,;3.2,-4.82,;4.72,-5.08,;5.25,-6.53,;6.75,-6.85,;4.26,-7.71,;4.73,-9.18,;2.74,-7.44,;1.77,-8.64,;2.21,-5.99,;-2.72,.71,;-4.05,-.06,;-5.38,.71,;-5.38,2.25,;-6.75,2.95,;-4.05,3.02,;-4.05,4.56,;-5.38,5.33,;-6.72,4.56,;-5.38,6.87,;-4.05,7.64,;-4.05,9.18,;-2.72,6.87,;-2.72,5.33,;-1.38,4.56,;-2.72,2.25,;-1.25,2.72,)|
C[C@@H]1CN(c2cn(C)c3ccc(nc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,5.38,;-.81,3.84,;.72,4,;1.62,2.75,;3.16,2.91,;4.22,1.8,;5.61,2.46,;6.96,1.72,;5.4,3.99,;6.41,5.16,;5.89,6.61,;4.38,6.89,;3.38,5.72,;3.89,4.27,;3.86,8.34,;4.86,9.51,;2.35,8.62,;1,1.35,;1.91,.11,;-.53,1.19,;-1.44,-.06,;-.99,-1.53,;.51,-1.91,;.96,-3.38,;2.46,-3.71,;2.99,-5.16,;1.99,-6.34,;2.51,-7.79,;1.54,-8.98,;4.03,-8.06,;4.53,-9.51,;5.02,-6.88,;6.53,-7.22,;4.5,-5.43,;-2.9,.42,;-4.24,-.35,;-5.57,.42,;-5.57,1.96,;-6.96,2.62,;-4.24,2.73,;-4.24,4.27,;-5.48,5.17,;-6.95,4.7,;-5.01,6.64,;-3.47,6.64,;-2.7,7.97,;-2.99,5.17,;-1.53,4.7,;-2.9,1.96,;-1.44,2.43,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CN2CCN(C)CC2)cc2c(cn(C)c12)C(O)=O |r,wD:1.0,(-3.64,6.06,;-3.64,4.52,;-2.11,4.68,;-1.2,3.44,;-1.83,2.03,;-.94,.78,;-3.36,1.87,;-4.27,.62,;-3.79,-.84,;-2.29,-1.17,;-1.8,-2.63,;-.3,-2.96,;.19,-4.42,;1.7,-4.69,;2.23,-6.14,;3.74,-6.46,;1.24,-7.32,;1.71,-8.78,;-.28,-7.05,;-1.24,-8.25,;-.8,-5.6,;-5.73,1.1,;-7.07,.33,;-8.4,1.1,;-8.4,2.64,;-9.77,3.35,;-7.07,3.41,;-7.07,4.95,;-8.31,5.85,;-9.76,5.32,;-7.84,7.32,;-6.3,7.32,;-5.36,8.54,;-5.82,5.85,;-4.34,5.44,;-5.73,2.64,;-4.27,3.12,;.33,3.58,;1.22,2.33,;2.76,2.48,;3.65,1.23,;5.18,1.37,;6.11,.15,;7.64,.34,;8.24,1.76,;9.77,1.95,;7.31,2.98,;5.78,2.79,;3.39,3.88,;2.5,5.13,;2.83,6.64,;1.5,7.42,;.35,6.4,;-1.15,6.73,;.97,4.99,;4.24,7.25,;4.42,8.78,;5.48,6.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(cn(Cc3cccc(C)n3)c12)C(O)=O |r,wD:1.0,(-1.5,4.89,;-1.5,3.35,;.03,3.51,;.94,2.26,;.31,.85,;1.21,-.4,;-1.22,.69,;-2.12,-.55,;-1.65,-2.02,;-.15,-2.35,;.34,-3.81,;1.84,-4.14,;2.33,-5.6,;3.85,-5.87,;4.37,-7.31,;5.88,-7.63,;3.38,-8.49,;3.86,-9.96,;1.87,-8.22,;.9,-9.42,;1.34,-6.78,;-3.59,-.08,;-4.92,-.85,;-6.26,-.08,;-6.26,1.46,;-7.63,2.17,;-4.92,2.23,;-4.92,3.77,;-6.17,4.68,;-7.61,4.15,;-5.69,6.14,;-4.15,6.14,;-3.21,7.36,;-3.68,4.68,;-2.19,4.26,;-3.59,1.46,;-2.12,1.94,;2.47,2.41,;3.37,1.15,;4.9,1.3,;5.54,2.7,;4.64,3.96,;4.97,5.46,;3.65,6.24,;2.49,5.22,;.99,5.55,;.53,7.02,;1.57,8.16,;1.1,9.63,;-.4,9.96,;-1.44,8.82,;-2.94,9.16,;-.98,7.35,;3.11,3.81,;6.39,6.08,;6.56,7.61,;7.63,5.16,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(CN6CCN(C)CC6)nc5C)c34)C2=O)c2n(Cc3ccccn3)c(cc12)C(O)=O |r,wD:8.8,(9.12,.85,;8.21,2.09,;6.67,1.95,;6.04,.54,;4.5,.4,;3.61,1.65,;2.08,1.5,;1.17,2.75,;-.36,2.59,;-.36,4.13,;-.99,1.18,;-.08,-.06,;-.99,-1.31,;-.51,-2.78,;.99,-3.1,;1.48,-4.57,;2.98,-4.89,;3.47,-6.36,;4.98,-6.62,;5.51,-8.07,;7.02,-8.39,;4.52,-9.25,;4.99,-10.72,;3,-8.98,;2.04,-10.18,;2.48,-7.53,;-2.45,-.83,;-3.79,-1.6,;-5.12,-.83,;-5.12,.71,;-6.49,1.41,;-3.79,1.48,;-3.79,3.02,;-5.12,3.79,;-6.45,3.02,;-5.12,5.33,;-3.79,6.1,;-3.79,7.64,;-5.12,8.41,;-5.12,9.95,;-6.45,10.72,;-7.79,9.95,;-9.12,10.72,;-7.79,8.41,;-6.45,7.64,;-2.45,5.33,;-2.45,3.79,;-1.12,3.02,;-2.45,.71,;1.45,.1,;2.34,-1.16,;4.25,3.05,;3.63,4.46,;2.13,4.8,;1.36,6.13,;2.13,7.46,;1.36,8.8,;-.18,8.8,;-.95,7.46,;-.18,6.13,;4.78,5.48,;6.11,4.7,;5.78,3.2,;4.64,7.02,;5.89,7.91,;3.23,7.66,)|
COCCn1c(cc2c(OC)ccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)ncnc6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-1.62,9.39,;-1.16,7.92,;.35,7.59,;.81,6.12,;2.32,5.79,;3.47,6.81,;4.8,6.03,;4.46,4.52,;5.36,3.27,;6.89,3.42,;7.8,2.18,;4.72,1.87,;3.19,1.72,;2.29,2.98,;.76,2.83,;-.15,4.07,;-1.68,3.91,;-1.68,5.45,;-2.3,2.51,;-1.4,1.26,;-2.3,.02,;-1.83,-1.45,;-.33,-1.78,;.16,-3.24,;1.66,-3.57,;2.15,-5.03,;3.67,-5.3,;4.19,-6.75,;5.7,-7.07,;3.2,-7.93,;3.68,-9.39,;1.69,-7.66,;.72,-8.86,;1.16,-6.21,;-3.77,.49,;-5.1,-.28,;-6.44,.49,;-6.44,2.03,;-7.8,2.74,;-5.1,2.8,;-5.1,4.34,;-6.44,5.11,;-7.77,4.34,;-6.44,6.65,;-5.1,7.42,;-3.77,6.65,;-3.77,5.11,;-2.43,4.34,;-3.77,2.03,;.13,1.42,;1.03,.17,;2.93,4.38,;3.32,8.34,;4.57,9.24,;1.92,8.98,)|
C[C@@H]1CN(Cc2cc(Br)c3n(C)cc(C(O)=O)c3c2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-2.37,5.19,;-2.37,3.65,;-.84,3.81,;.07,2.56,;1.6,2.72,;2.22,4.13,;1.32,5.38,;1.94,6.78,;1.04,8.03,;3.48,6.95,;4.38,8.19,;3.91,9.66,;5.85,7.72,;5.85,6.18,;7.09,5.27,;8.5,5.9,;6.93,3.74,;4.38,5.7,;3.75,4.29,;-.56,1.16,;.33,-.1,;-2.09,1,;-3,-.25,;-2.53,-1.72,;-1.02,-2.04,;-.53,-3.51,;.97,-3.83,;1.46,-5.3,;2.97,-5.56,;3.5,-7.01,;5.01,-7.33,;2.51,-8.19,;2.98,-9.66,;.99,-7.92,;.03,-9.12,;.47,-6.47,;-4.46,.23,;-5.8,-.54,;-7.13,.23,;-7.13,1.77,;-8.5,2.47,;-5.8,2.54,;-5.8,4.08,;-7.04,4.98,;-8.49,4.45,;-6.57,6.45,;-5.03,6.45,;-4.09,7.67,;-4.55,4.98,;-3.07,4.56,;-4.46,1.77,;-3,2.24,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cc(O)cc4C)c3n12 |r,wD:1.0,(-.82,5.36,;-.82,3.82,;.71,3.98,;1.61,2.73,;3.15,2.89,;4.21,1.77,;5.6,2.44,;6.95,1.7,;5.4,3.96,;6.4,5.13,;5.88,6.59,;4.37,6.87,;3.37,5.7,;3.88,4.24,;3.85,8.32,;2.34,8.6,;4.86,9.49,;.99,1.32,;1.88,.07,;-.54,1.16,;-1.45,-.08,;-.98,-1.55,;.53,-1.88,;1.02,-3.34,;2.52,-3.67,;3.01,-5.13,;4.52,-5.4,;5.05,-6.84,;6.56,-7.16,;4.06,-8.02,;4.53,-9.49,;2.54,-7.76,;1.57,-8.95,;2.02,-6.31,;-2.91,.39,;-4.25,-.38,;-5.58,.39,;-5.58,1.93,;-6.95,2.64,;-4.25,2.7,;-4.25,4.24,;-5.58,5.01,;-6.91,4.24,;-5.58,6.55,;-4.25,7.32,;-4.25,8.86,;-2.91,6.55,;-2.91,5.01,;-1.58,4.24,;-2.91,1.93,;-1.45,2.41,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cccc(n3)N3CCOCC3)c12 |r,wD:1.0,(-.63,4.39,;-.63,2.85,;.91,3.01,;1.81,1.76,;1.18,.36,;2.08,-.9,;-.35,.19,;-1.25,-1.05,;-.78,-2.52,;.73,-2.85,;1.21,-4.31,;2.72,-4.64,;3.2,-6.1,;4.72,-6.37,;5.25,-7.81,;6.75,-8.13,;4.26,-8.99,;4.73,-10.46,;2.74,-8.72,;1.77,-9.92,;2.21,-7.28,;-2.72,-.58,;-4.05,-1.35,;-5.38,-.58,;-5.38,.96,;-6.75,1.67,;-4.05,1.73,;-4.05,3.27,;-5.3,4.18,;-6.74,3.65,;-4.82,5.64,;-3.28,5.64,;-2.34,6.86,;-2.8,4.18,;-1.32,3.76,;-2.72,.96,;-1.25,1.44,;3.34,1.91,;4.24,.65,;5.77,.8,;6.67,-.45,;6.41,2.2,;5.51,3.46,;5.85,4.96,;4.52,5.74,;4.37,7.28,;5.63,8.17,;2.97,7.91,;3.37,4.72,;1.86,5.05,;1.4,6.52,;2.44,7.66,;1.98,9.13,;.47,9.46,;-.57,8.32,;-.1,6.86,;-2.07,8.66,;-2.53,10.13,;-4.04,10.46,;-5.08,9.32,;-4.61,7.85,;-3.11,7.52,;3.98,3.31,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(ccn3)N3CCOCC3)c12 |r,wD:1.0,(-.63,4.39,;-.63,2.85,;.91,3.01,;1.81,1.76,;1.18,.36,;2.08,-.9,;-.35,.19,;-1.25,-1.05,;-.78,-2.52,;.73,-2.85,;1.21,-4.31,;2.72,-4.64,;3.2,-6.1,;4.72,-6.37,;5.25,-7.81,;6.75,-8.13,;4.26,-8.99,;4.73,-10.46,;2.74,-8.72,;1.77,-9.92,;2.21,-7.28,;-2.72,-.58,;-4.05,-1.35,;-5.38,-.58,;-5.38,.96,;-6.75,1.67,;-4.05,1.73,;-4.05,3.27,;-5.3,4.18,;-6.74,3.65,;-4.82,5.64,;-3.28,5.64,;-2.34,6.86,;-2.8,4.18,;-1.32,3.76,;-2.72,.96,;-1.25,1.44,;3.34,1.91,;4.24,.65,;5.77,.8,;6.67,-.45,;6.41,2.2,;5.51,3.46,;5.85,4.96,;4.52,5.74,;4.37,7.28,;5.86,7.67,;3.48,8.53,;3.37,4.72,;1.86,5.05,;1.4,6.52,;-.1,6.86,;-.57,8.32,;.47,9.46,;1.98,9.13,;2.44,7.66,;-2.07,8.66,;-2.53,10.13,;-4.04,10.46,;-5.08,9.32,;-4.61,7.85,;-3.11,7.52,;3.98,3.31,)|
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C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cc(OCCN5CCCC5)cc4C)c3n12 |r,wD:1.0,(-.82,3.12,;-.82,1.58,;.71,1.74,;1.61,.5,;3.15,.66,;4.21,-.46,;5.6,.2,;6.95,-.53,;5.4,1.73,;6.4,2.9,;5.88,4.35,;4.37,4.63,;3.37,3.46,;3.88,2.01,;3.85,6.08,;2.34,6.37,;4.86,7.25,;.99,-.91,;1.88,-2.16,;-.54,-1.07,;-1.45,-2.32,;-.98,-3.78,;.53,-4.11,;1.02,-5.57,;2.52,-5.9,;3.01,-7.36,;4.52,-7.63,;5.05,-9.08,;6.56,-9.4,;4.06,-10.26,;4.53,-11.72,;2.54,-9.99,;1.57,-11.19,;2.02,-8.54,;-2.91,-1.84,;-4.25,-2.61,;-5.58,-1.84,;-5.58,-.3,;-6.95,.4,;-4.25,.47,;-4.25,2.01,;-5.58,2.78,;-6.91,2.01,;-5.58,4.32,;-4.25,5.09,;-4.25,6.63,;-2.91,7.4,;-2.91,8.94,;-4.25,9.71,;-4.25,11.25,;-5.71,11.72,;-6.62,10.48,;-5.71,9.23,;-2.91,4.32,;-2.91,2.78,;-1.58,2.01,;-2.91,-.3,;-1.45,.17,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)cc(OCCN(C)C)cc4C)c3n12 |r,wD:1.0,(-.82,3.36,;-.82,1.82,;.71,1.98,;1.61,.73,;3.15,.89,;4.21,-.22,;5.6,.44,;6.95,-.3,;5.4,1.97,;6.4,3.14,;5.88,4.59,;4.37,4.87,;3.37,3.7,;3.88,2.25,;3.85,6.32,;2.34,6.6,;4.86,7.49,;.99,-.67,;1.88,-1.93,;-.54,-.83,;-1.45,-2.08,;-.98,-3.55,;.53,-3.87,;1.02,-5.34,;2.52,-5.66,;3.01,-7.13,;4.52,-7.39,;5.05,-8.84,;6.56,-9.16,;4.06,-10.02,;4.53,-11.49,;2.54,-9.75,;1.57,-10.95,;2.02,-8.3,;-2.91,-1.6,;-4.25,-2.37,;-5.58,-1.6,;-5.58,-.06,;-6.95,.64,;-4.25,.71,;-4.25,2.25,;-5.58,3.02,;-6.91,2.25,;-5.58,4.56,;-4.25,5.33,;-4.25,6.87,;-2.91,7.64,;-2.91,9.18,;-4.25,9.95,;-4.25,11.49,;-5.58,9.18,;-2.91,4.56,;-2.91,3.02,;-1.58,2.25,;-2.91,-.06,;-1.45,.41,)|
C[C@@H]1CN(c2cn(CCN(C)C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,5.36,;-.81,3.82,;.72,3.98,;1.63,2.73,;3.16,2.89,;4.22,1.77,;5.61,2.44,;6.94,1.67,;6.94,.13,;5.61,-.64,;5.61,-2.18,;4.28,.13,;5.41,3.96,;6.41,5.13,;5.9,6.59,;4.38,6.87,;3.38,5.7,;3.9,4.24,;3.87,8.32,;2.35,8.6,;4.87,9.49,;1,1.32,;1.9,.07,;-.53,1.16,;-1.43,-.08,;-.96,-1.55,;.54,-1.88,;1.03,-3.34,;2.53,-3.67,;3.02,-5.13,;4.54,-5.4,;5.06,-6.84,;6.57,-7.16,;4.07,-8.02,;4.55,-9.49,;2.56,-7.76,;1.59,-8.95,;2.03,-6.31,;-2.9,.39,;-4.23,-.38,;-5.57,.39,;-5.57,1.93,;-6.94,2.64,;-4.23,2.7,;-4.23,4.24,;-2.99,5.15,;-1.52,4.67,;-3.46,6.61,;-5,6.61,;-5.77,7.95,;-5.48,5.15,;-6.94,4.67,;-2.9,1.93,;-1.43,2.41,)|
C[C@@H]1CN(c2cn(CCN3CCCC3)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,5.36,;-.81,3.82,;.72,3.98,;1.63,2.73,;3.16,2.89,;4.22,1.77,;5.61,2.44,;6.94,1.67,;6.94,.13,;5.61,-.64,;4.2,-.02,;3.17,-1.16,;3.94,-2.5,;5.45,-2.18,;5.41,3.96,;6.41,5.13,;5.9,6.59,;4.38,6.87,;3.38,5.7,;3.9,4.24,;3.87,8.32,;2.35,8.6,;4.87,9.49,;1,1.32,;1.9,.07,;-.53,1.16,;-1.43,-.08,;-.96,-1.55,;.54,-1.88,;1.03,-3.34,;2.53,-3.67,;3.02,-5.13,;4.54,-5.4,;5.06,-6.84,;6.57,-7.16,;4.07,-8.02,;4.55,-9.49,;2.56,-7.76,;1.59,-8.95,;2.03,-6.31,;-2.9,.39,;-4.23,-.38,;-5.57,.39,;-5.57,1.93,;-6.94,2.64,;-4.23,2.7,;-4.23,4.24,;-2.99,5.15,;-1.52,4.67,;-3.46,6.61,;-5,6.61,;-5.77,7.95,;-5.48,5.15,;-6.94,4.67,;-2.9,1.93,;-1.43,2.41,)|
COCCn1cc(C(O)=O)c2cccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12 |r,wD:17.17,(-1.44,9.39,;-.98,7.92,;.53,7.59,;.99,6.12,;2.49,5.79,;3.65,6.81,;4.97,6.03,;6.39,6.64,;6.56,8.17,;7.63,5.73,;4.64,4.52,;5.54,3.27,;4.9,1.87,;3.37,1.72,;2.47,2.98,;.94,2.83,;.03,4.07,;-1.5,3.91,;-1.5,5.45,;-2.12,2.51,;-1.22,1.26,;-2.12,.02,;-1.65,-1.45,;-.15,-1.78,;.34,-3.24,;1.84,-3.57,;2.33,-5.03,;3.85,-5.3,;4.37,-6.75,;5.88,-7.07,;3.38,-7.93,;3.86,-9.39,;1.87,-7.66,;.9,-8.86,;1.34,-6.21,;-3.59,.49,;-4.92,-.28,;-6.26,.49,;-6.26,2.03,;-7.63,2.74,;-4.92,2.8,;-4.92,4.34,;-6.17,5.25,;-7.61,4.72,;-5.69,6.71,;-4.15,6.71,;-3.21,7.93,;-3.68,5.25,;-2.19,4.83,;-3.59,2.03,;.31,1.42,;1.21,.17,;3.11,4.38,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OC2CC[N+](C)(C)C2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.26,5.53,;-3.26,3.99,;-1.73,4.15,;-.82,2.91,;-1.45,1.5,;-.56,.25,;-2.98,1.34,;-3.89,.09,;-3.42,-1.37,;-1.91,-1.7,;-1.42,-3.16,;.08,-3.49,;.57,-4.95,;2.08,-5.22,;2.61,-6.67,;4.12,-6.99,;1.62,-7.85,;2.09,-9.31,;.1,-7.58,;-.86,-8.78,;-.42,-6.13,;-5.35,.57,;-6.69,-.2,;-8.02,.57,;-8.02,2.11,;-9.39,2.81,;-6.69,2.88,;-6.69,4.42,;-7.93,5.32,;-9.38,4.79,;-7.46,6.79,;-5.92,6.79,;-4.98,8.01,;-5.44,5.32,;-3.96,4.91,;-5.35,2.11,;-3.89,2.58,;.71,3.05,;1.6,1.8,;3.14,1.95,;4.03,.69,;5.56,.84,;6.58,-.31,;8,.3,;7.85,1.84,;9.39,1.84,;8.25,3.32,;6.34,2.17,;3.77,3.35,;2.88,4.6,;3.21,6.11,;1.88,6.89,;1.74,8.42,;2.99,9.31,;.33,9.06,;.73,5.87,;-.77,6.2,;1.35,4.45,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(C=C)ccn3)c12 |r,wD:1.0,(-.63,4.42,;-.63,2.88,;.91,3.04,;1.81,1.8,;1.18,.39,;2.08,-.86,;-.35,.23,;-1.25,-1.02,;-.78,-2.48,;.73,-2.81,;1.21,-4.27,;2.72,-4.6,;3.2,-6.06,;4.72,-6.33,;5.25,-7.78,;6.75,-8.1,;4.26,-8.96,;4.73,-10.42,;2.74,-8.69,;1.77,-9.89,;2.21,-7.24,;-2.72,-.54,;-4.05,-1.31,;-5.38,-.54,;-5.38,1,;-6.75,1.71,;-4.05,1.77,;-4.05,3.31,;-5.3,4.21,;-6.74,3.68,;-4.82,5.68,;-3.28,5.68,;-2.34,6.9,;-2.8,4.21,;-1.32,3.8,;-2.72,1,;-1.25,1.47,;3.34,1.94,;4.24,.69,;5.77,.84,;6.67,-.42,;6.41,2.24,;5.51,3.49,;5.85,5,;4.52,5.78,;4.37,7.31,;5.63,8.2,;2.97,7.95,;3.37,4.76,;1.86,5.09,;1.09,6.42,;1.86,7.76,;1.09,9.09,;1.86,10.42,;3.4,10.42,;-.45,9.09,;-1.22,7.76,;-.45,6.42,;3.98,3.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(ccn3)N3CCN(C)CC3)c12 |r,wD:1.0,(-.63,2.42,;-.63,.88,;.91,1.04,;1.81,-.2,;1.18,-1.61,;2.08,-2.86,;-.35,-1.77,;-1.25,-3.02,;-.78,-4.48,;.73,-4.81,;1.21,-6.27,;2.72,-6.6,;3.2,-8.06,;4.72,-8.33,;5.25,-9.78,;6.75,-10.1,;4.26,-10.96,;4.73,-12.42,;2.74,-10.69,;1.77,-11.89,;2.21,-9.24,;-2.72,-2.54,;-4.05,-3.31,;-5.38,-2.54,;-5.38,-1,;-6.75,-.3,;-4.05,-.23,;-4.05,1.31,;-5.3,2.21,;-6.74,1.68,;-4.82,3.68,;-3.28,3.68,;-2.34,4.9,;-2.8,2.21,;-1.32,1.8,;-2.72,-1,;-1.25,-.53,;3.34,-.06,;4.24,-1.31,;5.77,-1.16,;6.67,-2.42,;6.41,.24,;5.51,1.49,;5.85,3,;4.52,3.78,;4.37,5.31,;5.63,6.2,;2.97,5.95,;3.37,2.76,;1.86,3.09,;1.09,4.42,;1.86,5.76,;1.09,7.09,;-.45,7.09,;-1.22,5.76,;-.45,4.42,;1.86,8.42,;3.4,8.42,;4.17,9.76,;3.4,11.09,;4.17,12.42,;1.86,11.09,;1.09,9.76,;3.98,1.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cccc(n3)N3CCN(C)CC3)c12 |r,wD:1.0,(-.63,2.42,;-.63,.88,;.91,1.04,;1.81,-.2,;1.18,-1.61,;2.08,-2.86,;-.35,-1.77,;-1.25,-3.02,;-.78,-4.48,;.73,-4.81,;1.21,-6.27,;2.72,-6.6,;3.2,-8.06,;4.72,-8.33,;5.25,-9.78,;6.75,-10.1,;4.26,-10.96,;4.73,-12.42,;2.74,-10.69,;1.77,-11.89,;2.21,-9.24,;-2.72,-2.54,;-4.05,-3.31,;-5.38,-2.54,;-5.38,-1,;-6.75,-.3,;-4.05,-.23,;-4.05,1.31,;-5.3,2.21,;-6.74,1.68,;-4.82,3.68,;-3.28,3.68,;-2.34,4.9,;-2.8,2.21,;-1.32,1.8,;-2.72,-1,;-1.25,-.53,;3.34,-.06,;4.24,-1.31,;5.77,-1.16,;6.67,-2.42,;6.41,.24,;5.51,1.49,;5.85,3,;4.52,3.78,;4.37,5.31,;5.63,6.2,;2.97,5.95,;3.37,2.76,;1.86,3.09,;1.09,4.42,;-.45,4.42,;-1.22,5.76,;-.45,7.09,;1.09,7.09,;1.86,5.76,;1.86,8.42,;3.4,8.42,;4.17,9.76,;3.4,11.09,;4.17,12.42,;1.86,11.09,;1.09,9.76,;3.98,1.34,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cccc(C=C)n3)c12 |r,wD:1.0,(-.63,4.42,;-.63,2.88,;.91,3.04,;1.81,1.8,;1.18,.39,;2.08,-.86,;-.35,.23,;-1.25,-1.02,;-.78,-2.48,;.73,-2.81,;1.21,-4.27,;2.72,-4.6,;3.2,-6.06,;4.72,-6.33,;5.25,-7.78,;6.75,-8.1,;4.26,-8.96,;4.73,-10.42,;2.74,-8.69,;1.77,-9.89,;2.21,-7.24,;-2.72,-.54,;-4.05,-1.31,;-5.38,-.54,;-5.38,1,;-6.75,1.71,;-4.05,1.77,;-4.05,3.31,;-5.3,4.21,;-6.74,3.68,;-4.82,5.68,;-3.28,5.68,;-2.34,6.9,;-2.8,4.21,;-1.32,3.8,;-2.72,1,;-1.25,1.47,;3.34,1.94,;4.24,.69,;5.77,.84,;6.67,-.42,;6.41,2.24,;5.51,3.49,;5.85,5,;4.52,5.78,;4.37,7.31,;5.63,8.2,;2.97,7.95,;3.37,4.76,;1.86,5.09,;1.09,6.42,;-.45,6.42,;-1.22,7.76,;-.45,9.09,;1.09,9.09,;1.86,10.42,;3.4,10.42,;1.86,7.76,;3.98,3.34,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cccc(n3)N3CCN(CC3)C(C)=O)c12 |r,wD:1.0,(-.63,1.75,;-.63,.21,;.91,.38,;1.81,-.87,;1.18,-2.28,;2.08,-3.53,;-.35,-2.44,;-1.25,-3.68,;-.78,-5.15,;.73,-5.48,;1.21,-6.94,;2.72,-7.27,;3.2,-8.73,;4.72,-9,;5.25,-10.45,;6.75,-10.77,;4.26,-11.63,;4.73,-13.09,;2.74,-11.36,;1.77,-12.55,;2.21,-9.91,;-2.72,-3.21,;-4.05,-3.98,;-5.38,-3.21,;-5.38,-1.67,;-6.75,-.96,;-4.05,-.9,;-4.05,.64,;-5.3,1.55,;-6.74,1.02,;-4.82,3.01,;-3.28,3.01,;-2.34,4.23,;-2.8,1.55,;-1.32,1.13,;-2.72,-1.67,;-1.25,-1.19,;3.34,-.72,;4.24,-1.98,;5.77,-1.83,;6.67,-3.08,;6.41,-.43,;5.52,.83,;5.85,2.33,;4.52,3.11,;4.37,4.64,;5.63,5.54,;2.97,5.28,;3.37,2.09,;1.86,2.42,;1.09,3.75,;-.45,3.75,;-1.22,5.09,;-.45,6.42,;1.09,6.42,;1.86,5.09,;1.86,7.76,;3.4,7.76,;4.17,9.09,;3.4,10.42,;1.86,10.42,;1.09,9.09,;4.17,11.76,;5.71,11.76,;3.4,13.09,;3.98,.68,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(OCCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.01,5.53,;-3.01,3.99,;-1.47,4.15,;-.57,2.91,;-1.2,1.5,;-.3,.25,;-2.73,1.34,;-3.63,.09,;-3.16,-1.37,;-1.65,-1.7,;-1.17,-3.16,;.34,-3.49,;.82,-4.95,;2.34,-5.22,;2.87,-6.67,;4.37,-6.99,;1.88,-7.85,;2.35,-9.31,;.36,-7.58,;-.61,-8.78,;-.17,-6.13,;-5.1,.57,;-6.43,-.2,;-7.76,.57,;-7.76,2.11,;-9.13,2.81,;-6.43,2.88,;-6.43,4.42,;-5.1,5.19,;-3.76,4.42,;-5.1,6.73,;-6.43,7.5,;-7.76,6.73,;-7.76,5.19,;-9.1,4.42,;-5.1,2.11,;-3.63,2.58,;.96,3.05,;1.86,1.8,;3.39,1.95,;4.29,.69,;3.65,-.71,;4.54,-1.96,;6.08,-1.81,;7.01,-3.04,;8.53,-2.85,;9.13,-1.43,;8.2,-.2,;6.68,-.39,;4.03,3.35,;3.13,4.6,;3.47,6.11,;2.14,6.89,;1.99,8.42,;3.25,9.31,;.59,9.06,;.99,5.87,;-.52,6.2,;1.6,4.45,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3cccc(C)n3)c12 |r,wD:1.0,(-.84,4.42,;-.84,2.88,;.69,3.04,;1.6,1.8,;.97,.39,;1.87,-.86,;-.56,.23,;-1.47,-1.02,;-.99,-2.48,;.51,-2.81,;1,-4.27,;2.5,-4.6,;2.99,-6.06,;4.51,-6.33,;5.03,-7.78,;6.54,-8.1,;4.04,-8.96,;4.51,-10.42,;2.52,-8.69,;1.56,-9.89,;2,-7.24,;-2.93,-.54,;-4.26,-1.31,;-5.6,-.54,;-5.6,1,;-6.97,1.71,;-4.26,1.77,;-4.26,3.31,;-2.93,4.08,;-1.6,3.31,;-2.93,5.62,;-4.26,6.39,;-5.6,5.62,;-5.6,4.08,;-6.93,3.31,;-2.93,1,;-1.47,1.47,;3.13,1.94,;4.02,.69,;5.56,.84,;6.45,-.42,;5.81,-1.82,;6.71,-3.07,;6.07,-4.47,;4.54,-4.62,;6.97,-5.73,;6.2,2.24,;5.3,3.49,;5.63,5,;4.31,5.78,;4.16,7.31,;5.41,8.2,;2.76,7.95,;3.15,4.76,;1.65,5.09,;.88,6.42,;-.66,6.42,;-1.43,7.76,;-.66,9.09,;.88,9.09,;1.65,10.42,;1.65,7.76,;3.77,3.34,)|
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C[C@@H]1CN(c2cn(CCN3CCN(C)CC3)c3ccc(cc23)-c2ncccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-3.48,4.49,;-3.48,2.95,;-1.94,3.11,;-1.04,1.86,;.49,2.02,;1.55,.91,;2.94,1.57,;4.28,.8,;4.28,-.74,;5.61,-1.51,;5.61,-3.05,;6.94,-3.82,;8.28,-3.05,;9.61,-3.82,;8.28,-1.51,;6.94,-.74,;2.74,3.1,;3.74,4.27,;3.23,5.72,;1.71,6,;.71,4.83,;1.23,3.38,;1.2,7.45,;2.2,8.62,;1.69,10.07,;.17,10.36,;-.83,9.19,;-.31,7.73,;-1.67,.46,;-.77,-.8,;-3.2,.3,;-4.1,-.95,;-3.63,-2.42,;-2.12,-2.74,;-1.64,-4.21,;-.13,-4.53,;.35,-6,;1.87,-6.26,;2.4,-7.71,;3.9,-8.03,;1.41,-8.89,;1.88,-10.36,;-.11,-8.62,;-1.08,-9.82,;-.64,-7.17,;-5.57,-.47,;-6.9,-1.24,;-8.23,-.47,;-8.23,1.07,;-9.6,1.77,;-6.9,1.84,;-6.9,3.38,;-8.15,4.28,;-9.61,3.81,;-7.67,5.75,;-6.13,5.75,;-5.36,7.08,;-5.65,4.28,;-4.19,3.81,;-5.57,1.07,;-4.1,1.54,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2cc(C(O)=O)n(Cc3cnn(C)n3)c12 |r,wD:1.0,(-.62,4.47,;-.62,2.93,;.91,3.09,;1.82,1.84,;1.19,.44,;2.08,-.82,;-.34,.27,;-1.25,-.97,;-.78,-2.44,;.73,-2.77,;1.22,-4.23,;2.72,-4.56,;3.21,-6.02,;4.72,-6.29,;5.25,-7.73,;6.76,-8.05,;4.26,-8.91,;4.73,-10.38,;2.74,-8.64,;1.78,-9.84,;2.22,-7.2,;-2.71,-.5,;-4.05,-1.27,;-5.38,-.5,;-5.38,1.04,;-6.75,1.75,;-4.05,1.81,;-4.05,3.35,;-5.29,4.26,;-6.76,3.78,;-4.82,5.72,;-3.28,5.72,;-2.51,7.06,;-2.8,4.26,;-1.34,3.78,;-2.71,1.04,;-1.25,1.52,;3.35,1.99,;4.24,.73,;5.78,.88,;6.41,2.28,;5.52,3.54,;5.85,5.04,;4.52,5.82,;4.38,7.36,;5.63,8.25,;2.97,7.99,;3.37,4.8,;1.87,5.13,;1.1,6.47,;-.44,6.47,;-.92,7.93,;.33,8.84,;.33,10.38,;1.57,7.93,;3.99,3.39,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.92,5.09,;-1.92,3.55,;-.39,3.71,;.52,2.46,;-.11,1.06,;.78,-.2,;-1.64,.9,;-2.55,-.35,;-2.07,-1.82,;-.57,-2.15,;-.08,-3.61,;1.42,-3.94,;1.91,-5.4,;3.42,-5.66,;3.95,-7.11,;5.46,-7.43,;2.96,-8.29,;3.43,-9.76,;1.44,-8.02,;.48,-9.22,;.92,-6.58,;-4.01,.13,;-5.35,-.64,;-6.68,.13,;-6.68,1.67,;-8.05,2.37,;-5.35,2.44,;-5.35,3.98,;-6.59,4.88,;-8.06,4.4,;-6.12,6.35,;-4.58,6.35,;-3.81,7.68,;-4.1,4.88,;-2.64,4.4,;-4.01,1.67,;-2.55,2.14,;2.05,2.61,;2.94,1.36,;4.48,1.5,;5.37,.25,;6.9,.4,;7.8,-.85,;7.16,-2.26,;5.63,-2.4,;8.06,-3.51,;5.11,2.91,;4.22,4.16,;4.55,5.66,;3.23,6.44,;3.08,7.98,;4.33,8.87,;1.67,8.61,;2.07,5.42,;.57,5.76,;-.2,7.09,;.57,8.42,;-.2,9.76,;-1.74,9.76,;-2.51,8.42,;-1.74,7.09,;2.69,4.01,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cccc2c(ccnc12)C(O)=O |r,wD:1.0,(-1.5,6.13,;-1.5,4.59,;.03,4.75,;.94,3.5,;.31,2.1,;1.2,.84,;-1.22,1.93,;-2.13,.69,;-1.66,-.78,;-.15,-1.11,;.34,-2.57,;1.84,-2.9,;2.33,-4.36,;3.84,-4.63,;4.37,-6.07,;5.88,-6.39,;3.38,-7.25,;3.85,-8.72,;1.86,-6.98,;.9,-8.18,;1.34,-5.54,;-3.59,1.16,;-4.93,.39,;-6.26,1.16,;-6.26,2.7,;-7.63,3.41,;-4.93,3.47,;-4.93,5.01,;-6.17,5.92,;-7.64,5.44,;-5.7,7.38,;-4.16,7.38,;-3.39,8.72,;-3.68,5.92,;-2.22,5.44,;-3.59,2.7,;-2.13,3.18,;2.47,3.66,;3.4,2.44,;4.93,2.64,;5.52,4.06,;4.58,5.29,;5.17,6.71,;4.24,7.93,;2.71,7.73,;2.12,6.31,;3.06,5.09,;6.7,6.91,;7.29,8.33,;7.64,5.69,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-n2nccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,4.69,;-.81,3.15,;.72,3.32,;1.63,2.07,;3.16,2.23,;4.22,1.11,;5.61,1.78,;6.94,1.01,;5.41,3.3,;6.41,4.47,;5.9,5.93,;4.38,6.21,;3.38,5.04,;3.9,3.58,;3.87,7.66,;2.4,8.13,;2.4,9.67,;3.87,10.15,;4.77,8.9,;1,.66,;1.9,-.59,;-.53,.5,;-1.43,-.74,;-.96,-2.21,;.54,-2.54,;1.03,-4,;2.53,-4.33,;3.02,-5.79,;4.54,-6.06,;5.06,-7.51,;6.57,-7.82,;4.07,-8.68,;4.55,-10.15,;2.56,-8.42,;1.59,-9.61,;2.03,-6.97,;-2.9,-.27,;-4.23,-1.04,;-5.57,-.27,;-5.57,1.27,;-6.94,1.98,;-4.23,2.04,;-4.23,3.58,;-5.48,4.49,;-6.94,4.01,;-5,5.95,;-3.46,5.95,;-2.69,7.29,;-2.99,4.49,;-1.52,4.01,;-2.9,1.27,;-1.43,1.75,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncn(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCN(C)C(=O)C5)nc4C)c3n12 |r,wD:1.0,(.5,4.13,;.5,2.59,;2.04,2.75,;2.94,1.5,;4.47,1.66,;5.53,.55,;6.92,1.21,;8.26,.44,;6.72,2.74,;7.72,3.91,;7.21,5.36,;5.69,5.64,;4.69,4.47,;5.21,3.02,;5.18,7.09,;6.09,8.34,;5.18,9.58,;3.72,9.11,;2.38,9.88,;3.72,7.57,;2.31,.1,;3.21,-1.16,;.78,-.06,;-.12,-1.31,;.35,-2.78,;1.85,-3.1,;2.34,-4.57,;3.85,-4.89,;4.33,-6.36,;5.85,-6.62,;6.38,-8.07,;7.88,-8.39,;5.38,-9.25,;5.86,-10.72,;3.87,-8.98,;2.9,-10.18,;3.34,-7.53,;-1.59,-.83,;-2.92,-1.6,;-4.25,-.83,;-4.25,.71,;-5.62,1.41,;-2.92,1.48,;-2.92,3.02,;-4.25,3.79,;-5.59,3.02,;-4.25,5.33,;-2.92,6.1,;-2.92,7.64,;-4.25,8.41,;-4.25,9.95,;-5.59,10.72,;-6.92,9.95,;-8.26,10.72,;-6.92,8.41,;-8.26,7.64,;-5.59,7.64,;-1.59,5.33,;-1.59,3.79,;-.25,3.02,;-1.59,.71,;-.12,1.18,)|
C[C@@H]1CN(c2cn(C)c3ccc(nc23)-n2nccn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,4.69,;-.81,3.15,;.72,3.32,;1.63,2.07,;3.16,2.23,;4.22,1.11,;5.61,1.78,;6.94,1.01,;5.41,3.3,;6.41,4.47,;5.9,5.93,;4.38,6.21,;3.38,5.04,;3.9,3.58,;3.87,7.66,;2.4,8.13,;2.4,9.67,;3.87,10.15,;4.77,8.9,;1,.66,;1.9,-.59,;-.53,.5,;-1.43,-.74,;-.96,-2.21,;.54,-2.54,;1.03,-4,;2.53,-4.33,;3.02,-5.79,;4.54,-6.06,;5.06,-7.51,;6.57,-7.82,;4.07,-8.68,;4.55,-10.15,;2.56,-8.42,;1.59,-9.61,;2.03,-6.97,;-2.9,-.27,;-4.23,-1.04,;-5.57,-.27,;-5.57,1.27,;-6.94,1.98,;-4.23,2.04,;-4.23,3.58,;-5.48,4.49,;-6.94,4.01,;-5,5.95,;-3.46,5.95,;-2.69,7.29,;-2.99,4.49,;-1.52,4.01,;-2.9,1.27,;-1.43,1.75,)|
COCCn1c(cc2cc(OC)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-.78,9.3,;-.27,7.85,;1.25,7.57,;1.76,6.12,;3.27,5.84,;4.39,6.89,;5.74,6.16,;5.46,4.65,;6.4,3.42,;5.81,2,;6.75,.78,;6.16,-.64,;4.28,1.8,;3.35,3.02,;1.82,2.86,;.91,4.11,;-.62,3.95,;-.62,5.49,;-1.25,2.54,;-.34,1.29,;-1.25,.05,;-.78,-1.42,;.73,-1.75,;1.22,-3.21,;2.72,-3.54,;3.21,-5,;4.72,-5.27,;5.25,-6.71,;6.76,-7.03,;4.26,-7.89,;4.73,-9.36,;2.74,-7.62,;1.78,-8.82,;2.22,-6.18,;-2.71,.52,;-4.05,-.25,;-5.38,.52,;-5.38,2.06,;-6.75,2.77,;-4.05,2.83,;-4.05,4.37,;-5.29,5.28,;-6.76,4.8,;-4.82,6.74,;-3.28,6.74,;-2.51,8.08,;-2.8,5.28,;-1.34,4.8,;-2.71,2.06,;1.19,1.45,;2.08,.2,;3.94,4.44,;4.19,8.42,;2.77,9.01,;5.41,9.36,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1ccc2ccc(nc2c1)C(O)=O |r,wD:1.0,(-2.09,5.71,;-2.09,4.17,;-.56,4.33,;.35,3.08,;-.28,1.68,;.61,.42,;-1.81,1.52,;-2.72,.27,;-2.25,-1.2,;-.74,-1.52,;-.25,-2.99,;1.25,-3.31,;1.74,-4.78,;3.25,-5.04,;3.78,-6.49,;5.29,-6.81,;2.79,-7.67,;3.26,-9.14,;1.27,-7.4,;.31,-8.6,;.75,-5.95,;-4.18,.75,;-5.52,-.02,;-6.85,.75,;-6.85,2.29,;-8.22,2.99,;-5.52,3.06,;-5.52,4.6,;-6.76,5.5,;-8.23,5.03,;-6.29,6.97,;-4.75,6.97,;-3.98,8.3,;-4.27,5.5,;-2.81,5.03,;-4.18,2.29,;-2.72,2.76,;1.88,3.25,;2.81,2.02,;4.34,2.22,;4.93,3.65,;6.46,3.85,;7.05,5.27,;6.11,6.49,;4.58,6.29,;3.99,4.87,;2.47,4.67,;6.7,7.91,;5.76,9.14,;8.23,8.11,)|
C[C@@H]1CN(c2cn(C[C@H]3CCCC3(C)C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:8.7,wD:1.0,(-1.44,5.51,;-1.44,3.97,;.09,4.13,;1,2.89,;2.53,3.05,;3.59,1.93,;4.98,2.59,;6.33,1.86,;6.37,.32,;7.57,-.53,;7.03,-2.02,;5.5,-2.02,;5.08,-.53,;3.75,.24,;3.75,-1.3,;4.78,4.12,;5.78,5.29,;5.27,6.74,;3.75,7.02,;2.75,5.85,;3.27,4.4,;3.24,8.48,;1.73,8.76,;4.24,9.65,;.37,1.48,;1.28,.24,;-1.16,1.32,;-2.07,.08,;-1.67,-1.41,;-.18,-1.81,;.22,-3.3,;1.71,-3.7,;2.11,-5.18,;1.02,-6.27,;1.41,-7.76,;.33,-8.85,;2.9,-8.16,;3.3,-9.65,;3.99,-7.07,;5.48,-7.47,;3.59,-5.58,;-3.53,.55,;-4.86,-.22,;-6.2,.55,;-6.2,2.09,;-7.53,2.86,;-4.86,2.86,;-4.86,4.4,;-6.11,5.31,;-7.57,4.83,;-5.63,6.77,;-4.09,6.77,;-3.19,8.02,;-3.62,5.31,;-2.15,4.83,;-3.53,2.09,;-2.07,2.57,)|
C[C@@H]1CN(c2cn(C)c3ccc(cc23)-n2ccnn2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.82,4.86,;-.82,3.32,;.71,3.48,;1.62,2.23,;3.15,2.39,;4.21,1.27,;5.6,1.93,;6.95,1.2,;5.4,3.46,;6.4,4.63,;5.89,6.08,;4.38,6.37,;3.38,5.2,;3.89,3.74,;3.86,7.82,;2.37,8.21,;2.29,9.75,;3.72,10.31,;4.7,9.11,;.99,.82,;1.9,-.42,;-.54,.66,;-1.44,-.58,;-1.05,-2.07,;.44,-2.47,;.84,-3.96,;2.33,-4.36,;2.73,-5.84,;1.64,-6.93,;2.04,-8.42,;.95,-9.51,;3.52,-8.82,;3.92,-10.31,;4.61,-7.73,;6.1,-8.13,;4.21,-6.24,;-2.91,-.11,;-4.24,-.88,;-5.58,-.11,;-5.58,1.43,;-6.91,2.2,;-4.24,2.2,;-4.24,3.74,;-5.49,4.65,;-6.95,4.17,;-5.01,6.11,;-3.47,6.11,;-2.57,7.36,;-3,4.65,;-1.53,4.17,;-2.91,1.43,;-1.44,1.91,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(nc2ccccc12)C(O)=O |r,wD:1.0,(-1.38,6.13,;-1.38,4.59,;.15,4.75,;1.06,3.5,;.43,2.1,;1.32,.84,;-1.1,1.93,;-2.01,.69,;-1.53,-.78,;-.03,-1.11,;.46,-2.57,;1.96,-2.9,;2.45,-4.36,;3.97,-4.63,;4.49,-6.07,;6,-6.39,;3.5,-7.25,;3.97,-8.72,;1.98,-6.98,;1.02,-8.18,;1.46,-5.54,;-3.47,1.16,;-4.81,.39,;-6.14,1.16,;-6.14,2.7,;-7.51,3.41,;-4.81,3.47,;-4.81,5.01,;-6.05,5.92,;-7.52,5.44,;-5.58,7.38,;-4.04,7.38,;-3.27,8.72,;-3.56,5.92,;-2.09,5.44,;-3.47,2.7,;-2.01,3.18,;2.59,3.66,;3.52,2.44,;5.05,2.64,;5.64,4.06,;4.7,5.29,;5.29,6.71,;4.36,7.93,;2.83,7.73,;2.24,6.31,;3.18,5.09,;5.99,1.42,;5.4,-0,;7.52,1.62,)|
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C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CCN2CCN(C)CC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.08,5.67,;-2.08,4.13,;-.55,4.29,;.35,3.05,;-.27,1.64,;.63,.39,;-1.81,1.48,;-2.71,.23,;-2.31,-1.25,;-.83,-1.65,;-.43,-3.14,;1.06,-3.54,;1.46,-5.03,;2.95,-5.42,;3.35,-6.91,;4.83,-7.31,;2.26,-8,;2.66,-9.49,;.77,-7.6,;-.32,-8.69,;.37,-6.12,;-4.18,.71,;-5.51,-.06,;-6.84,.71,;-6.84,2.25,;-8.18,3.02,;-5.51,3.02,;-5.51,4.56,;-6.76,5.46,;-8.22,4.99,;-6.28,6.93,;-4.74,6.93,;-3.83,8.17,;-4.26,5.46,;-2.8,4.99,;-4.18,2.25,;-2.71,2.73,;1.88,3.21,;2.79,1.96,;4.32,2.12,;5.23,.88,;4.6,-.53,;5.5,-1.78,;4.88,-3.18,;5.78,-4.43,;7.31,-4.27,;8.22,-5.51,;7.94,-2.86,;7.04,-1.61,;4.95,3.53,;4.04,4.78,;4.36,6.28,;3.03,7.05,;2.87,8.58,;4.11,9.49,;1.46,9.21,;1.88,6.02,;.38,6.34,;2.51,4.61,)|
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1c(C)ccc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.45,5.67,;-.45,4.13,;1.08,4.29,;1.99,3.05,;1.36,1.64,;2.27,.39,;-.17,1.48,;-1.07,.23,;-.68,-1.25,;.81,-1.65,;1.21,-3.14,;2.7,-3.54,;3.1,-5.03,;4.58,-5.42,;4.98,-6.91,;6.47,-7.31,;3.89,-8,;4.29,-9.49,;2.41,-7.6,;1.32,-8.69,;2.01,-6.12,;-2.54,.71,;-3.87,-.06,;-5.21,.71,;-5.21,2.25,;-6.54,3.02,;-3.87,3.02,;-3.87,4.56,;-5.12,5.46,;-6.58,4.99,;-4.64,6.93,;-3.1,6.93,;-2.2,8.17,;-2.63,5.46,;-1.16,4.99,;-2.54,2.25,;-1.07,2.73,;3.52,3.21,;4.43,1.96,;3.8,.56,;5.96,2.12,;6.58,3.53,;5.68,4.78,;6,6.28,;4.66,7.05,;4.5,8.58,;5.75,9.49,;3.1,9.21,;3.52,6.02,;2.01,6.34,;4.15,4.61,)|
COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)n[nH]c5C)c34)C2=O)c2n(C)c(cc12)C(O)=O |r,wD:8.8,(7.66,5.1,;7.04,3.69,;5.5,3.53,;4.88,2.12,;3.35,1.96,;2.44,3.21,;.91,3.05,;0,4.29,;-1.53,4.13,;-1.53,5.67,;-2.15,2.73,;-1.25,1.48,;-2.15,.23,;-1.75,-1.25,;-.27,-1.65,;.13,-3.14,;1.62,-3.54,;2.02,-5.03,;3.5,-5.42,;3.9,-6.91,;5.39,-7.31,;2.81,-8,;3.21,-9.49,;1.33,-7.6,;.24,-8.69,;.93,-6.12,;-3.62,.71,;-4.95,-.06,;-6.29,.71,;-6.29,2.25,;-7.62,3.02,;-4.95,3.02,;-4.95,4.56,;-6.2,5.46,;-7.66,4.99,;-5.72,6.93,;-4.18,6.93,;-3.71,5.46,;-2.24,4.99,;-3.62,2.25,;.28,1.64,;1.19,.39,;3.07,4.61,;2.44,6.02,;.93,6.34,;3.59,7.05,;4.92,6.28,;4.6,4.78,;3.42,8.58,;4.67,9.49,;2.02,9.21,)|
COCCn1c(cc2c(OC)ccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)n[nH]c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-1.43,9.59,;-1.03,8.1,;.46,7.7,;.93,6.24,;2.44,5.92,;3.59,6.95,;4.92,6.18,;4.6,4.67,;5.5,3.43,;7.04,3.59,;7.66,5,;4.88,2.02,;3.35,1.86,;2.44,3.11,;.91,2.95,;0,4.19,;-1.53,4.03,;-1.53,5.57,;-2.15,2.62,;-1.25,1.38,;-2.15,.13,;-1.75,-1.36,;-.27,-1.75,;.13,-3.24,;1.62,-3.64,;2.02,-5.13,;3.5,-5.53,;3.9,-7.01,;5.39,-7.41,;2.81,-8.1,;3.21,-9.59,;1.33,-7.7,;.24,-8.79,;.93,-6.22,;-3.62,.61,;-4.95,-.16,;-6.29,.61,;-6.29,2.15,;-7.62,2.92,;-4.95,2.92,;-4.95,4.46,;-6.2,5.36,;-7.66,4.89,;-5.72,6.83,;-4.18,6.83,;-3.71,5.36,;-2.24,4.89,;-3.62,2.15,;.28,1.54,;1.19,.29,;3.07,4.51,;3.42,8.48,;4.67,9.39,;2.02,9.11,)|
COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nc(CN7CCN(C)C(=O)C7)nc6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(.82,8.31,;1.22,6.82,;2.71,6.42,;3.19,4.96,;4.69,4.64,;5.84,5.67,;7.17,4.9,;6.85,3.39,;7.76,2.14,;7.13,.74,;8.03,-.51,;5.6,.58,;4.69,1.82,;3.16,1.66,;2.26,2.91,;.72,2.75,;.72,4.29,;.1,1.34,;1,.09,;.1,-1.15,;.5,-2.64,;1.98,-3.04,;2.38,-4.53,;3.87,-4.92,;4.27,-6.41,;5.76,-6.81,;6.16,-8.3,;7.64,-8.7,;5.07,-9.39,;5.46,-10.87,;3.58,-8.99,;2.49,-10.08,;3.18,-7.5,;-1.37,-.68,;-2.7,-1.45,;-4.03,-.68,;-4.03,.86,;-5.37,1.63,;-2.7,1.63,;-2.7,3.17,;-1.37,3.94,;-.03,3.17,;-1.37,5.48,;-2.7,6.25,;-2.7,7.79,;-4.03,8.56,;-4.03,10.1,;-5.37,10.87,;-6.7,10.1,;-8.03,10.87,;-6.7,8.56,;-8.03,7.79,;-5.37,7.79,;-4.03,5.48,;-4.03,3.94,;-5.37,3.17,;-1.37,.86,;2.53,.25,;3.44,-.99,;5.32,3.23,;5.68,7.2,;6.92,8.1,;4.27,7.83,)|
Oc1ccc(cc1)N(Cc1c(Cl)ccc(F)c1F)C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12 |r|
OC(=O)c1cccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(OCc3ccccc3)cc2)c1 |r|
OC(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(OCc3ccccc3)cc2)cc1 |r|
COCCNC(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
CN(C)CCNC(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
CN1CCN(CC1)C(=O)c1ccc(CN(C(=O)c2cc(-c3cc4OCOc4cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n3CCCCc23)c2ccc(O)cc2)cc1 |r|
[O-][N+](=O)c1cc(ccc1NC[C@@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |r,t:49|
Cc1cc(OCCCn2nc(C(O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCC4CCCO4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(O)=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(Cl)cc4)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(N5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5cccnc5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCCN5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5ccco5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(c4)N4CCOCC4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5cccnc5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5ccco5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
CCN1CCN(CC1)c1cc(ccc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2ccc(Cl)cc12
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(OC(Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |(-7.79,-11.47,;-6.28,-11.15,;-5.25,-12.3,;-3.74,-11.98,;-3.27,-10.51,;-1.76,-10.19,;-1.28,-8.73,;.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;6.26,-5.15,;7.59,-4.38,;8.93,-5.15,;8.93,-6.69,;10.26,-7.46,;11.59,-6.69,;11.59,-5.15,;10.26,-4.38,;10.26,-2.84,;8.93,-2.07,;8.93,-.53,;7.68,.37,;8.16,1.84,;9.7,1.84,;10.17,.37,;11.64,-.1,;12.78,.93,;13.92,1.96,;13.81,-.22,;11.75,2.07,;6.26,-6.69,;4.92,-7.46,;7.59,-7.46,;3.59,-2.07,;-.32,-1.3,;-1.22,-2.55,;-2.69,-2.07,;-2.69,-.53,;-3.94,.37,;-1.22,-.06,;.14,-4.33,;-.89,-3.19,;-.33,-5.8,;-1.84,-6.12,;-4.3,-9.37,;-5.8,-9.69,)|
Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2c(nc3ccccc23)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCn2nc3ccc(Cl)cc3c2C(O)=O)cc(C)c1Cl
Cc1cc(OCCn2nc3ccc(Cl)cc3c2C(O)=O)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4cc(Cl)ccc4c3C(O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(c3)N3CCOCC3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccco4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4ccco4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccn(C)n4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4cccnc4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4cccnc4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccncc4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4ccncc4)c3)N(=O)=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)Cc4ccc(N5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)Cc4ccc(NCc5cccnc5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
C[C@H]1C\C=C(F)\CN2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C\CN2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
COC[C@H]1\C=C\C[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCN14)c3c2 |r,t:4|
C[C@H]1C\C=C\CN2CC[C@H]2CN2CC3(CCOc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
COC[C@@H]1\C=C\C[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCN14)c3c2 |r,t:4|
COCC1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCCN14)c3c2 |r,t:4|
C[C@H]1C\C=C(F)\[C@H](CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C\C(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
C[C@H]1C\C=C(F)\[C@H](COc2ccccn2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COC[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
COCCOCCOC[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:52|
CC(C)COC[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:49|
CCOC[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:47|
C[C@H]1C\C=C(F)\[C@H](COCC(O)=O)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCC(=O)N2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCC(=O)N2CC(F)(F)C2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COC[C@@H]1N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:47|
COCCCOC[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:50|
C[C@H]1C\C=C(F)\[C@H](COCCC2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCc2noc(C)n2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCCCN2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCC2CCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)/CN2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
C[C@H]1C\C=C(F)\[C@H](COc2ccccn2)N2CC[C@@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCC2CCCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |c:3|
[H][C@]12COCCN1CCN(C[C@@H]1N3CC[C@H]3CN3C[C@@]4(CCCc5cc(Cl)ccc45)COc4ccc(cc34)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F)C2 |r,t:55|
C[C@H]1C\C=C(F)\[C@H](CF)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H](COCCCN2CCOCC2)N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\C(CO)(CO)N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\C(CO)(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COCC1(COC)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:49|
COC[C@]1(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:48|
COC[C@@]1(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:48|
COCCOC[C@@]1(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:51|
COCCOCC1(COCCOC)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:55|
COCCOC[C@]1(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:51|
C[C@@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
C[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
C[C@@H](O)[C@@H]1N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:47|
C[C@H](O)[C@@H]1N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:47|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)COCC2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H]([C@H](O)COCC2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COC[C@@]1([C@@H]2COC(C)(C)O2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:54|
CO[C@@H](CO)[C@]1(CO)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:50|
C[C@H]1C\C=C(F)\[C@](CO)([C@@H]2COC(C)(C)O2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@@]2(COC(C)(C)OC[C@@H]2O)N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
CO[C@H]1COC(C)(C)OC[C@]11N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:55|
C[C@H]1C\C=C(F)\C2(COC(C)(C)OC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\C2(COC(C)(C)OC2)N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COC[C@H](OC)[C@]1(COC)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:52|
COC[C@@H](OC)[C@]1(COC)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:52|
C[C@@H](O)[C@H]1N2CCC[C@H]2CN2C[C@@]3(CCOc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:47|
C[C@H](O)[C@H]1N2CCC[C@H]2CN2C[C@@]3(CCOc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:47|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)Cn2cccn2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)COC2CCOCC2)N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)CN2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)CN2CCOCC2)N2CCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COCCN(CCOC)C[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:55|
COCC(COC)OC[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:54|
COCCN(C[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F)CC1CCOCC1 |r,t:51|
COCCCN(CCOC)C[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:56|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)CN(C)CCC2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)CN(C)CC2CCOCC2)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COCCN(C)C[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:52|
COCCOCCN(C)C[C@H](O)[C@@H]1N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:55|
C[C@H]1C\C=C(F)\[C@H]([C@@H](O)CN(C)C)N2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
CO[C@H](C)[C@@H]1N2CCC[C@H]2CN2C[C@@]3(CCOc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:48|
Cc1c-2c(nn1C)C(OCc1cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1)C=C
COCCC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
COCCOCC[C@@H]1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2 |r|
COCCOCC[C@H]1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2 |r|
Cc1c-2c(nn1C)C(CCN1CCOCC1)OCc1cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
CN1CCN(CCC2OCc3cc(CCc4cc(OCCCn5c(C(O)=O)c(C)c6c(-c7c(C)n(C)nc27)c(Cl)ccc56)c2ccc(F)cc2c4)n(C)n3)CC1
CCOCCC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
Cc1c-2c(nn1C)C(CCCO)OCc1cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
COCCCC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
Cc1c-2c(nn1C)C(CN1CCOCC1)OCc1cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
COCCOCC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
COCC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
CC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
CC(O)CC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
COCCOCCn6nc(C)c5c1c(Cl)ccc2c1c(C)c(C(=O)O)n2CCCOc3cc(cc4cc(F)ccc34)CCc7cc(COC(C)c56)nn7C
COc1ccc(COC2CCc3cc(CCc4cc(OCCCn5c(C(O)=O)c(C)c6c(-c7c(C)n(C)nc27)c(Cl)ccc56)c2ccc(F)cc2c4)n(C)n3)cc1
CNCCC1OCc2cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c(-c6c(C)n(C)nc16)c(Cl)ccc45)c1ccc(F)cc1c3)n(C)n2
Cc3nn5CCOC4CCc8cc(CCc7cc(OCCCn2c(C(=O)O)c(C)c1c(c(Cl)ccc12)c3c45)c6ccc(F)cc6c7)n(C)n8
COCCn1nc4cc1CCc8cc(OCCCn3c(C(=O)O)c(C)c2c(c(Cl)ccc23)c5c(C)nn6CCOC(CC4)c56)c7ccc(F)cc7c8
OC(=O)[C@@]1(CC[C@@]2(CC1)C(=O)Nc1ccccc21)Nc1cccc(Br)c1 |r,wU:3.20,wD:6.9,3.2,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;-.48,-.34,;-.08,1.15,;1.51,-2.67,;3.05,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,)|
CCN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,8.20,(2.59,-5.7,;1.09,-5.38,;.61,-3.92,;1.51,-2.67,;3.05,-2.67,;.61,-1.43,;2.1,-1.03,;2.5,.46,;1.41,1.55,;-.08,1.15,;-.48,-.34,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,;2.89,1.95,;3.98,.86,;3.29,3.43,;-.85,-1.9,;-2.19,-1.13,;-3.52,-1.9,;-3.52,-3.44,;-2.19,-4.21,;-.85,-3.44,)|
CN1CC2(CCC(CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |(.95,-4.78,;.47,-3.31,;1.38,-2.07,;.47,-.82,;1.98,-.5,;2.46,.96,;1.43,2.11,;-.08,1.79,;-.56,.32,;.66,3.44,;-.88,3.44,;-1.65,4.78,;-3.19,4.78,;-3.96,3.44,;-3.19,2.11,;-3.96,.78,;-1.65,2.11,;2.93,2.43,;3.96,1.28,;3.41,3.89,;-.99,-1.3,;-2.32,-.53,;-3.66,-1.3,;-3.66,-2.84,;-2.32,-3.61,;-.99,-2.84,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(I)ccc12 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.78,;.99,-3.31,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,;-3.14,-1.3,;-4.48,-.53,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(Br)ccc12 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.78,;.99,-3.31,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,;-3.14,-1.3,;-4.48,-.53,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(C)ccc12 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.78,;.99,-3.31,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,;-3.14,-1.3,;-4.48,-.53,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,)|
CCc1ccc2N(C)C(=O)[C@]3(CC[C@@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:13.16,wD:10.9,13.25,(-5.81,-1.3,;-4.48,-.53,;-3.14,-1.3,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,;.99,-3.31,;1.46,-4.78,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(\C=C\c3ccccc3)ccc12 |r,wU:7.10,wD:4.3,7.19,(4.11,-4.78,;3.64,-3.31,;4.54,-2.07,;6.08,-2.07,;3.64,-.82,;5.14,-.5,;5.62,.96,;4.59,2.11,;3.08,1.79,;2.61,.32,;3.82,3.44,;2.28,3.44,;1.51,4.78,;-.03,4.78,;-.8,3.44,;-.03,2.11,;-.8,.78,;1.51,2.11,;6.08,2.51,;7.16,1.42,;6.47,4,;2.17,-1.3,;.84,-.53,;-.5,-1.3,;-1.83,-.53,;-3.16,-1.3,;-4.5,-.53,;-5.83,-1.3,;-7.16,-.53,;-7.16,1.01,;-5.83,1.78,;-4.5,1.01,;-.5,-2.84,;.84,-3.61,;2.17,-2.84,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(ccc12)-c1ccccc1 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.78,;.99,-3.31,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,;-3.14,-1.3,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,;-4.48,-.53,;-4.48,1.01,;-5.81,1.78,;-7.14,1.01,;-7.14,-.53,;-5.81,-1.3,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(CCc3ccccc3)ccc12 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.78,;.99,-3.31,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,;-3.14,-1.3,;-4.48,-.53,;-5.81,-1.3,;-7.14,-.53,;-7.14,1.01,;-8.48,1.78,;-9.81,1.01,;-9.81,-.53,;-8.48,-1.3,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,)|
C\C=C\c1ccc2N(C)C(=O)[C@]3(CC[C@@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:14.17,wD:11.10,14.26,(-5.83,-.53,;-4.5,-1.3,;-3.16,-.53,;-1.83,-1.3,;-1.83,-2.84,;-.5,-3.61,;.84,-2.84,;2.3,-3.31,;2.78,-4.78,;3.21,-2.07,;4.75,-2.07,;2.3,-.82,;3.81,-.5,;4.28,.96,;3.25,2.11,;1.75,1.79,;1.27,.32,;2.48,3.44,;.94,3.44,;.17,4.78,;-1.37,4.78,;-2.14,3.44,;-1.37,2.11,;-2.14,.78,;.17,2.11,;4.74,2.51,;5.83,1.42,;5.14,4,;.84,-1.3,;-.5,-.53,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)C(=O)N(Cc1ccccc1)c1ccccc21)Nc1cccc(Br)c1 |r,wU:3.28,wD:6.9,3.2,(3.25,2.47,;2.16,3.56,;2.56,5.05,;.67,3.16,;1.7,2.02,;1.23,.55,;-.28,.23,;-1.31,1.38,;-.83,2.84,;.63,-1.01,;2.17,-1.01,;-.28,-2.26,;.2,-3.72,;1.7,-4.04,;2.18,-5.51,;3.69,-5.83,;4.72,-4.68,;4.24,-3.22,;2.73,-2.9,;-1.74,-1.78,;-3.08,-2.55,;-4.41,-1.78,;-4.41,-.24,;-3.08,.53,;-1.74,-.24,;-.1,4.5,;-1.64,4.5,;-2.41,5.83,;-3.95,5.83,;-4.72,4.5,;-3.95,3.16,;-4.72,1.83,;-2.41,3.16,)|
OC(=O)C1(CCC2(CC1)C(=O)N1CCCc3cc(Br)cc2c13)Nc1cccc(Br)c1 |(4.51,1.86,;3.42,2.95,;3.85,4.43,;1.91,2.63,;2.94,1.49,;2.47,.02,;.96,-.3,;-.07,.85,;.4,2.31,;1.86,-1.54,;3.4,-1.54,;.96,-2.79,;.92,-4.53,;-.42,-5.3,;-1.75,-4.53,;-1.84,-3.08,;-3.17,-2.31,;-3.17,-.77,;-4.51,-0,;-1.84,-0,;-.51,-.77,;-.51,-2.31,;1.14,3.97,;-.4,3.97,;-1.17,5.3,;-2.71,5.3,;-3.48,3.97,;-2.71,2.63,;-3.48,1.3,;-1.17,2.63,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(ccc12)C1CC1 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.78,;.99,-3.31,;1.89,-2.07,;3.43,-2.07,;.99,-.82,;2.49,-.5,;2.97,.96,;1.94,2.11,;.43,1.79,;-.04,.32,;1.17,3.44,;-.37,3.44,;-1.14,4.78,;-2.68,4.78,;-3.45,3.44,;-2.68,2.11,;-3.45,.78,;-1.14,2.11,;3.45,2.43,;4.48,1.28,;3.92,3.89,;-.48,-1.3,;-1.81,-.53,;-3.14,-1.3,;-3.14,-2.84,;-1.81,-3.61,;-.48,-2.84,;-4.48,-.53,;-5.1,.88,;-6.01,-.37,)|
CN1C(=O)[C@]2(CC[C@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |r,wU:7.19,wD:4.3,7.10,(.93,-4.78,;.45,-3.31,;1.36,-2.07,;2.9,-2.07,;.45,-.82,;1.96,-.5,;2.44,.96,;1.41,2.11,;-.1,1.79,;-.58,.32,;.64,3.44,;-.9,3.44,;-1.67,4.78,;-3.21,4.78,;-3.98,3.44,;-3.21,2.11,;-3.98,.78,;-1.67,2.11,;2.89,2.51,;3.98,1.42,;3.29,4,;-1.01,-1.3,;-2.34,-.53,;-3.68,-1.3,;-3.68,-2.84,;-2.34,-3.61,;-1.01,-2.84,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(ccc12)C#C |r,wU:7.10,wD:4.3,7.19,(2.11,-4.78,;1.64,-3.31,;2.54,-2.07,;4.08,-2.07,;1.64,-.82,;3.14,-.5,;3.62,.96,;2.59,2.11,;1.08,1.79,;.6,.32,;1.82,3.44,;.28,3.44,;-.49,4.78,;-2.03,4.78,;-2.8,3.44,;-2.03,2.11,;-2.8,.78,;-.49,2.11,;4.07,2.51,;5.16,1.42,;4.47,4,;.17,-1.3,;-1.16,-.53,;-2.5,-1.3,;-2.5,-2.84,;-1.16,-3.61,;.17,-2.84,;-3.83,-.53,;-5.16,.24,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(\C=C\Cc3ccccc3)ccc12 |r,wU:7.10,wD:4.3,7.19,(4.78,-4.78,;4.3,-3.31,;5.21,-2.07,;6.75,-2.07,;4.3,-.82,;5.81,-.5,;6.29,.96,;5.25,2.11,;3.75,1.79,;3.27,.32,;4.48,3.44,;2.94,3.44,;2.17,4.78,;.63,4.78,;-.14,3.44,;.63,2.11,;-.14,.78,;2.17,2.11,;6.74,2.51,;7.83,1.42,;7.14,4,;2.84,-1.3,;1.5,-.53,;.17,-1.3,;-1.16,-.53,;-2.5,-1.3,;-3.83,-.53,;-5.16,-1.3,;-6.5,-.53,;-7.83,-1.3,;-7.83,-2.84,;-6.5,-3.61,;-5.16,-2.84,;.17,-2.84,;1.5,-3.61,;2.84,-2.84,)|
CN1C(=O)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2cc(Br)cc(C)c12 |r,wU:7.10,wD:4.3,7.19,(1.46,-4.59,;.99,-3.13,;1.89,-1.88,;3.43,-1.88,;.99,-.64,;2.49,-.32,;2.97,1.15,;1.94,2.29,;.43,1.97,;-.04,.51,;1.17,3.63,;-.37,3.63,;-1.14,4.96,;-2.68,4.96,;-3.45,3.63,;-2.68,2.29,;-3.45,.96,;-1.14,2.29,;3.45,2.61,;4.48,1.47,;3.92,4.08,;-.48,-1.11,;-1.81,-.34,;-3.14,-1.11,;-4.48,-.34,;-3.14,-2.65,;-1.81,-3.42,;-1.81,-4.96,;-.48,-2.65,)|
CC1=Nc2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:12.17,wD:9.10,12.26,t:1,(2.92,-2.65,;1.38,-2.65,;.47,-3.9,;-.99,-3.42,;-2.32,-4.19,;-3.66,-3.42,;-3.66,-1.88,;-2.32,-1.11,;-.99,-1.88,;.47,-1.41,;1.98,-1.09,;2.46,.38,;1.43,1.52,;-.08,1.2,;-.56,-.26,;.66,2.86,;-.88,2.86,;-1.65,4.19,;-3.19,4.19,;-3.96,2.86,;-3.19,1.52,;-3.96,.19,;-1.65,1.52,;2.93,1.84,;3.96,.7,;3.41,3.31,)|
CC1N(C)c2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:10.10,13.18,wD:13.27,(2.92,-2.07,;1.38,-2.07,;.47,-3.31,;.95,-4.78,;-.99,-2.84,;-2.32,-3.61,;-3.66,-2.84,;-3.66,-1.3,;-2.32,-.53,;-.99,-1.3,;.47,-.82,;1.98,-.5,;2.46,.96,;1.43,2.11,;-.08,1.79,;-.56,.32,;.66,3.44,;-.88,3.44,;-1.65,4.78,;-3.19,4.78,;-3.96,3.44,;-3.19,2.11,;-3.96,.78,;-1.65,2.11,;2.93,2.43,;3.96,1.28,;3.41,3.89,)|
CC1N(C)c2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:10.10,13.27,wD:13.18,(2.92,-2.07,;1.38,-2.07,;.47,-3.31,;.95,-4.78,;-.99,-2.84,;-2.32,-3.61,;-3.66,-2.84,;-3.66,-1.3,;-2.32,-.53,;-.99,-1.3,;.47,-.82,;1.98,-.5,;2.46,.96,;1.43,2.11,;-.08,1.79,;-.56,.32,;.66,3.44,;-.88,3.44,;-1.65,4.78,;-3.19,4.78,;-3.96,3.44,;-3.19,2.11,;-3.96,.78,;-1.65,2.11,;2.93,2.43,;3.96,1.28,;3.41,3.89,)|
CN1C(CCc2ccccc2)C2(CCC(CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |(-1.22,-4.78,;-1.7,-3.31,;-.79,-2.07,;.75,-2.07,;1.52,-.73,;3.06,-.73,;3.83,.6,;5.37,.6,;6.14,-.73,;5.37,-2.07,;3.83,-2.07,;-1.7,-.82,;-2.73,.32,;-2.25,1.79,;-.75,2.11,;.28,.96,;-.19,-.5,;-1.52,3.44,;-3.06,3.44,;-3.83,4.78,;-5.37,4.78,;-6.14,3.44,;-5.37,2.11,;-6.14,.78,;-3.83,2.11,;.74,2.51,;1.83,1.42,;1.14,4,;-3.16,-1.3,;-4.5,-.53,;-5.83,-1.3,;-5.83,-2.84,;-4.5,-3.61,;-3.16,-2.84,)|
CC1N(C=O)c2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:11.11,14.19,wD:14.28,(2.9,-1.91,;1.36,-1.91,;.45,-3.15,;.93,-4.62,;2.44,-4.94,;-1.01,-2.68,;-2.34,-3.45,;-3.68,-2.68,;-3.68,-1.14,;-2.34,-.37,;-1.01,-1.14,;.45,-.66,;1.96,-.34,;2.44,1.12,;1.41,2.27,;-.1,1.95,;-.58,.48,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,;2.89,2.67,;3.98,1.58,;3.29,4.16,)|
CC1=Nc2ccc(Br)cc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:13.18,wD:10.11,13.27,t:1,(2.9,-1.91,;1.36,-1.91,;.45,-3.15,;-1.01,-2.68,;-2.34,-3.45,;-3.68,-2.68,;-3.68,-1.14,;-5.01,-.37,;-2.34,-.37,;-1.01,-1.14,;.45,-.66,;1.96,-.34,;2.44,1.12,;1.41,2.27,;-.1,1.95,;-.58,.48,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,;2.89,2.67,;3.98,1.58,;3.29,4.16,)|
Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.36,wD:21.27,(6.5,-2.65,;4.96,-2.65,;4.19,-3.99,;2.65,-3.99,;1.88,-2.65,;2.65,-1.32,;4.19,-1.32,;.34,-2.65,;1.11,-1.32,;1.11,-3.99,;-1.2,-2.65,;-2.11,-3.9,;-3.57,-3.42,;-4.91,-4.19,;-6.24,-3.42,;-6.24,-1.88,;-4.91,-1.11,;-3.57,-1.88,;-2.11,-1.41,;-3.13,-.25,;-2.64,1.21,;-1.13,1.51,;-.11,.36,;-.6,-1.1,;-1.88,2.86,;-3.42,2.86,;-4.19,4.19,;-5.73,4.19,;-6.5,2.86,;-5.73,1.53,;-6.45,.17,;-4.19,1.53,;.38,1.82,;1.53,.8,;.86,3.29,)|
Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.27,wD:21.36,(6.5,-2.65,;4.96,-2.65,;4.19,-3.99,;2.65,-3.99,;1.88,-2.65,;2.65,-1.32,;4.19,-1.32,;.34,-2.65,;1.11,-1.32,;1.11,-3.99,;-1.2,-2.65,;-2.11,-3.9,;-3.57,-3.42,;-4.91,-4.19,;-6.24,-3.42,;-6.24,-1.88,;-4.91,-1.11,;-3.57,-1.88,;-2.11,-1.41,;-.6,-1.1,;-.11,.36,;-1.13,1.51,;-2.64,1.21,;-3.13,-.25,;-1.88,2.86,;-3.42,2.86,;-4.19,4.19,;-5.73,4.19,;-6.5,2.86,;-5.73,1.53,;-6.45,.17,;-4.19,1.53,;.38,1.82,;1.53,.8,;.86,3.29,)|
COc1cccc(c1)N1C(=O)c2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:20.26,wD:17.19,20.35,(5.83,-.01,;4.29,-.01,;3.52,-1.34,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;-.33,-2.67,;-1.24,-3.92,;-.76,-5.38,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
COc1cccc(c1)N1Cc2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:19.25,wD:16.18,19.34,(5.83,-.01,;4.29,-.01,;3.52,-1.34,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
COc1cccc(c1)N1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:19.34,wD:16.18,19.25,(5.83,-.01,;4.29,-.01,;3.52,-1.34,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
COc1ccc(cc1)N1C(=O)c2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,(6.6,-4.01,;5.83,-2.67,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;3.52,-1.34,;-.33,-2.67,;-1.24,-3.92,;-.76,-5.38,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
OC(=O)[C@]1(CC[C@@]2(CC1)N(CCCOc1ccccc1)C(=O)c1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,(.6,1.45,;-.49,2.54,;-.09,4.03,;-1.98,2.14,;-.89,1.05,;-1.29,-.43,;-2.78,-.83,;-3.87,.26,;-3.47,1.74,;-1.87,-2.08,;-.33,-2.08,;.44,-3.41,;1.98,-3.41,;2.75,-2.08,;4.29,-2.08,;5.06,-3.41,;6.6,-3.41,;7.37,-2.08,;6.6,-.74,;5.06,-.74,;-2.78,-3.32,;-2.38,-4.81,;-4.24,-2.85,;-5.57,-3.62,;-6.91,-2.85,;-6.91,-1.31,;-5.57,-.54,;-4.24,-1.31,;-2.75,3.48,;-4.29,3.48,;-5.06,4.81,;-6.6,4.81,;-7.37,3.48,;-6.6,2.14,;-7.37,.81,;-5.06,2.14,)|
OC(=O)[C@]1(CC[C@@]2(CC1)N(CCCOc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:3.30,6.9,(.65,.68,;-.37,1.83,;.11,3.3,;-1.88,1.52,;-.86,.37,;-1.35,-1.09,;-2.86,-1.4,;-3.88,-.24,;-3.39,1.22,;-1.95,-2.64,;-.42,-2.75,;.35,-4.08,;1.89,-4.08,;2.66,-2.75,;4.2,-2.75,;4.97,-1.42,;6.51,-1.42,;7.28,-2.75,;6.51,-4.08,;4.97,-4.08,;-2.86,-3.89,;-4.32,-3.41,;-5.66,-4.18,;-6.99,-3.41,;-6.99,-1.87,;-5.66,-1.1,;-4.32,-1.87,;-2.66,2.85,;-4.2,2.85,;-4.97,4.18,;-6.51,4.18,;-7.28,2.85,;-6.51,1.52,;-7.22,.15,;-4.97,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)N(CCCOc1ccnc3ccsc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,(.69,.83,;-.4,1.92,;-0,3.41,;-1.89,1.52,;-.87,.37,;-1.36,-1.08,;-2.86,-1.4,;-3.89,-.25,;-3.4,1.21,;-1.96,-2.65,;-.42,-2.65,;.35,-3.98,;1.89,-3.98,;2.66,-2.65,;4.2,-2.65,;4.97,-3.98,;6.51,-3.98,;7.28,-2.65,;6.51,-1.31,;6.99,.15,;5.74,1.06,;4.49,.15,;4.97,-1.31,;-2.86,-3.89,;-4.33,-3.42,;-5.66,-4.19,;-7,-3.42,;-7,-1.88,;-5.66,-1.11,;-4.33,-1.88,;-2.66,2.85,;-4.2,2.85,;-4.97,4.19,;-6.51,4.19,;-7.28,2.85,;-6.51,1.52,;-7.28,.19,;-4.97,1.52,)|
Cc1cnccc1OCCCN1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.37,wD:19.21,22.28,(4.2,.02,;4.97,-1.31,;6.51,-1.31,;7.28,-2.65,;6.51,-3.98,;4.97,-3.98,;4.2,-2.65,;2.66,-2.65,;1.89,-3.98,;.35,-3.98,;-.42,-2.65,;-1.96,-2.65,;-2.86,-3.89,;-4.33,-3.42,;-5.66,-4.19,;-7,-3.42,;-7,-1.88,;-5.66,-1.11,;-4.33,-1.88,;-2.86,-1.4,;-1.36,-1.08,;-.87,.37,;-1.89,1.52,;-3.4,1.21,;-3.89,-.25,;-2.66,2.85,;-4.2,2.85,;-4.97,4.19,;-6.51,4.19,;-7.28,2.85,;-6.51,1.52,;-7.28,.19,;-4.97,1.52,;-.4,1.92,;.69,.83,;-0,3.41,)|
C[C@@H](COc1ccnc2ccsc12)CN1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.41,wD:22.25,25.32,1.0,(-.42,-5.31,;.35,-3.98,;1.89,-3.98,;2.66,-2.65,;4.2,-2.65,;4.97,-3.98,;6.51,-3.98,;7.28,-2.65,;6.51,-1.31,;6.99,.15,;5.74,1.06,;4.49,.15,;4.97,-1.31,;-.42,-2.65,;-1.96,-2.65,;-2.86,-3.89,;-4.33,-3.42,;-5.66,-4.19,;-7,-3.42,;-7,-1.88,;-5.66,-1.11,;-4.33,-1.88,;-2.86,-1.4,;-1.36,-1.08,;-.87,.37,;-1.89,1.52,;-3.4,1.21,;-3.89,-.25,;-2.66,2.85,;-4.2,2.85,;-4.97,4.19,;-6.51,4.19,;-7.28,2.85,;-6.51,1.52,;-7.28,.19,;-4.97,1.52,;-.4,1.92,;.69,.83,;-0,3.41,)|
C[C@@H](COc1cccc2[nH]ccc12)CN1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.41,wD:25.32,22.25,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,wD:27.34,24.27,12.12,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.44,2.56,;.71,1.53,;-.12,4.07,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,wD:28.35,25.28,12.12,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-8.32,-3.63,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.44,2.56,;.71,1.53,;-.12,4.07,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1ccc(F)c(Cl)c1)C(O)=O |r,wU:28.45,wD:25.28,1.0,28.35,12.12,(.36,-4.75,;1.13,-3.42,;2.67,-3.42,;3.44,-2.09,;4.98,-2.09,;5.75,-3.42,;7.29,-3.42,;8.06,-2.09,;7.29,-.75,;8.06,.58,;7.29,1.91,;5.75,1.91,;4.98,.58,;3.44,.58,;5.75,-.75,;.36,-2.09,;-1.18,-2.09,;-2.08,-3.33,;-3.55,-2.86,;-4.88,-3.63,;-6.22,-2.86,;-7.55,-3.63,;-6.22,-1.32,;-4.88,-.55,;-3.55,-1.32,;-2.08,-.84,;-.58,-.52,;-.1,.94,;-1.13,2.09,;-2.64,1.77,;-3.11,.3,;-1.9,3.42,;-3.44,3.42,;-4.21,4.75,;-5.75,4.75,;-6.52,3.42,;-8.06,3.42,;-5.75,2.09,;-6.52,.75,;-4.21,2.09,;.36,2.49,;1.44,1.4,;.75,3.97,)|
COc1cc2c(CN(C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1F |r,wU:27.42,wD:24.25,9.9,27.33,21.21,(-8.47,-1.27,;-7.14,-.5,;-5.8,-1.27,;-4.47,-.5,;-3.14,-1.27,;-3.14,-2.81,;-1.67,-3.29,;-.77,-2.04,;.77,-2.04,;1.54,-3.38,;.77,-4.71,;3.08,-3.38,;3.85,-2.04,;5.39,-2.04,;6.16,-3.38,;7.7,-3.38,;8.47,-2.04,;7.7,-.71,;8.47,.62,;7.7,1.96,;6.16,1.96,;5.39,.62,;3.85,.62,;6.16,-.71,;-1.67,-.8,;-.17,-.48,;.31,.99,;-.72,2.13,;-2.23,1.81,;-2.7,.35,;-1.63,3.38,;-3.17,3.38,;-3.94,4.71,;-5.48,4.71,;-6.25,3.38,;-5.48,2.04,;-6.25,.71,;-3.94,2.04,;.74,2.61,;1.86,1.55,;1.14,4.09,;-4.47,-3.58,;-5.8,-2.81,;-7.14,-3.58,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc3OCOc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:30.47,wD:27.31,1.0,12.12,30.38,(.62,-4.78,;1.39,-3.44,;2.93,-3.44,;3.7,-2.11,;5.24,-2.11,;6.01,-3.44,;7.55,-3.44,;8.32,-2.11,;7.55,-.78,;8.32,.56,;7.55,1.89,;6.01,1.89,;5.24,.56,;3.7,.56,;6.01,-.78,;.62,-2.11,;-.92,-2.11,;-1.82,-3.36,;-3.29,-2.88,;-4.62,-3.65,;-5.95,-2.88,;-7.42,-3.36,;-8.32,-2.11,;-7.42,-.86,;-5.95,-1.34,;-4.62,-.57,;-3.29,-1.34,;-1.82,-.86,;-.33,-.47,;.06,1.02,;-1.02,2.11,;-2.51,1.71,;-2.91,.22,;-1.79,3.44,;-3.33,3.44,;-4.1,4.78,;-5.64,4.78,;-6.41,3.44,;-5.64,2.11,;-6.41,.78,;-4.1,2.11,;.46,2.51,;1.55,1.42,;.86,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc3OCOc3cc2[C@@]11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:30.38,wD:27.31,1.0,12.12,30.47,(.62,-4.78,;1.39,-3.44,;2.93,-3.44,;3.7,-2.11,;5.24,-2.11,;6.01,-3.44,;7.55,-3.44,;8.32,-2.11,;7.55,-.78,;8.32,.56,;7.55,1.89,;6.01,1.89,;5.24,.56,;3.7,.56,;6.01,-.78,;.62,-2.11,;-.92,-2.11,;-1.82,-3.36,;-3.29,-2.88,;-4.62,-3.65,;-5.95,-2.88,;-7.42,-3.36,;-8.32,-2.11,;-7.42,-.86,;-5.95,-1.34,;-4.62,-.57,;-3.29,-1.34,;-1.82,-.86,;-.33,-.47,;.06,1.02,;-1.02,2.11,;-2.51,1.71,;-2.91,.22,;-1.79,3.44,;-3.33,3.44,;-4.1,4.78,;-5.64,4.78,;-6.41,3.44,;-5.64,2.11,;-6.41,.78,;-4.1,2.11,;.46,2.51,;1.55,1.42,;.86,4,)|
COc1cc2c(CN(C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Cl |r,wU:27.42,wD:24.25,9.9,27.33,21.21,(-8.56,-1.87,;-7.42,-.84,;-5.95,-1.32,;-4.62,-.55,;-3.29,-1.32,;-3.29,-2.86,;-1.82,-3.33,;-.92,-2.09,;.62,-2.09,;1.39,-3.42,;.62,-4.75,;2.93,-3.42,;3.7,-2.09,;5.24,-2.09,;6.01,-3.42,;7.55,-3.42,;8.32,-2.09,;7.55,-.75,;8.32,.58,;7.55,1.91,;6.01,1.91,;5.24,.58,;3.7,.58,;6.01,-.75,;-1.82,-.84,;-.32,-.52,;.16,.94,;-.87,2.09,;-2.38,1.77,;-2.85,.3,;-1.64,3.42,;-3.18,3.42,;-3.95,4.75,;-5.49,4.75,;-6.26,3.42,;-5.49,2.09,;-6.26,.75,;-3.95,2.09,;.62,2.49,;1.71,1.4,;1.02,3.97,;-4.62,-3.63,;-5.95,-2.86,;-7.42,-3.33,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc3OCOc3cc2[C@@]11CC[C@](CC1)(Nc1ccc(F)c(Cl)c1)C(O)=O |r,wU:30.48,wD:27.31,1.0,30.38,12.12,(.62,-4.75,;1.39,-3.42,;2.93,-3.42,;3.7,-2.09,;5.24,-2.09,;6.01,-3.42,;7.55,-3.42,;8.32,-2.09,;7.55,-.75,;8.32,.58,;7.55,1.91,;6.01,1.91,;5.24,.58,;3.7,.58,;6.01,-.75,;.62,-2.09,;-.92,-2.09,;-1.82,-3.33,;-3.29,-2.86,;-4.62,-3.63,;-5.95,-2.86,;-7.42,-3.33,;-8.32,-2.09,;-7.42,-.84,;-5.95,-1.32,;-4.62,-.55,;-3.29,-1.32,;-1.82,-.84,;-.32,-.52,;.16,.94,;-.87,2.09,;-2.38,1.77,;-2.85,.3,;-1.64,3.42,;-3.18,3.42,;-3.95,4.75,;-5.49,4.75,;-6.26,3.42,;-7.8,3.42,;-5.49,2.09,;-6.26,.75,;-3.95,2.09,;.62,2.49,;1.71,1.4,;1.02,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc3OCOc3cc2[C@@]11CC[C@@](CC1)(Nc1ccc(F)c(Cl)c1)C(O)=O |r,wU:30.38,wD:27.31,1.0,30.48,12.12,(.62,-4.75,;1.39,-3.42,;2.93,-3.42,;3.7,-2.09,;5.24,-2.09,;6.01,-3.42,;7.55,-3.42,;8.32,-2.09,;7.55,-.75,;8.32,.58,;7.55,1.91,;6.01,1.91,;5.24,.58,;3.7,.58,;6.01,-.75,;.62,-2.09,;-.92,-2.09,;-1.82,-3.33,;-3.29,-2.86,;-4.62,-3.63,;-5.95,-2.86,;-7.42,-3.33,;-8.32,-2.09,;-7.42,-.84,;-5.95,-1.32,;-4.62,-.55,;-3.29,-1.32,;-1.82,-.84,;-.32,-.52,;.16,.94,;-.87,2.09,;-2.38,1.77,;-2.85,.3,;-1.64,3.42,;-3.18,3.42,;-3.95,4.75,;-5.49,4.75,;-6.26,3.42,;-7.8,3.42,;-5.49,2.09,;-6.26,.75,;-3.95,2.09,;.62,2.49,;1.71,1.4,;1.02,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc3OCOc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1C)C(O)=O |r,wU:30.48,wD:27.31,1.0,30.38,12.12,(.62,-4.75,;1.39,-3.42,;2.93,-3.42,;3.7,-2.09,;5.24,-2.09,;6.01,-3.42,;7.55,-3.42,;8.32,-2.09,;7.55,-.75,;8.32,.58,;7.55,1.91,;6.01,1.91,;5.24,.58,;3.7,.58,;6.01,-.75,;.62,-2.09,;-.92,-2.09,;-1.82,-3.33,;-3.29,-2.86,;-4.62,-3.63,;-5.95,-2.86,;-7.42,-3.33,;-8.32,-2.09,;-7.42,-.84,;-5.95,-1.32,;-4.62,-.55,;-3.29,-1.32,;-1.82,-.84,;-.32,-.52,;.16,.94,;-.87,2.09,;-2.38,1.77,;-2.85,.3,;-1.64,3.42,;-3.18,3.42,;-3.95,4.75,;-5.49,4.75,;-6.26,3.42,;-5.49,2.09,;-6.26,.75,;-3.95,2.09,;-3.18,.75,;.62,2.49,;1.71,1.4,;1.02,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc3OCOc3cc2[C@@]11CC[C@@](CC1)(Nc1cccc(Cl)c1C)C(O)=O |r,wU:30.38,wD:27.31,1.0,30.48,12.12,(.62,-4.75,;1.39,-3.42,;2.93,-3.42,;3.7,-2.09,;5.24,-2.09,;6.01,-3.42,;7.55,-3.42,;8.32,-2.09,;7.55,-.75,;8.32,.58,;7.55,1.91,;6.01,1.91,;5.24,.58,;3.7,.58,;6.01,-.75,;.62,-2.09,;-.92,-2.09,;-1.82,-3.33,;-3.29,-2.86,;-4.62,-3.63,;-5.95,-2.86,;-7.42,-3.33,;-8.32,-2.09,;-7.42,-.84,;-5.95,-1.32,;-4.62,-.55,;-3.29,-1.32,;-1.82,-.84,;-.32,-.52,;.16,.94,;-.87,2.09,;-2.38,1.77,;-2.85,.3,;-1.64,3.42,;-3.18,3.42,;-3.95,4.75,;-5.49,4.75,;-6.26,3.42,;-5.49,2.09,;-6.26,.75,;-3.95,2.09,;-3.18,.75,;.62,2.49,;1.71,1.4,;1.02,3.97,)|
COCc1cc2c(CN(C[C@@H](C)COc3cccc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1F |r,wU:28.43,wD:25.26,10.10,28.34,22.22,(-8.16,-.55,;-6.83,-1.32,;-5.5,-.55,;-4.16,-1.32,;-2.83,-.55,;-1.49,-1.32,;-1.49,-2.86,;-.03,-3.33,;.88,-2.09,;2.42,-2.09,;3.19,-3.42,;2.42,-4.75,;4.73,-3.42,;5.5,-2.09,;7.04,-2.09,;7.81,-3.42,;9.35,-3.42,;10.12,-2.09,;9.35,-.75,;10.12,.58,;9.35,1.91,;7.81,1.91,;7.04,.58,;5.5,.58,;7.81,-.75,;-.03,-.84,;1.48,-.52,;1.95,.94,;.92,2.09,;-.58,1.77,;-1.06,.3,;.15,3.42,;-1.39,3.42,;-2.16,4.75,;-3.7,4.75,;-4.47,3.42,;-3.7,2.09,;-4.47,.75,;-2.16,2.09,;2.43,2.41,;3.46,1.26,;2.9,3.87,;-2.83,-3.63,;-4.16,-2.86,;-5.5,-3.63,)|
C[C@@H](COc1cccc2CCC[C@@H](C)c12)CN1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,wD:25.28,1.0,28.35,12.12,(2.42,-4.75,;3.19,-3.42,;4.73,-3.42,;5.5,-2.09,;7.04,-2.09,;7.81,-3.42,;9.35,-3.42,;10.12,-2.09,;9.35,-.75,;10.12,.58,;9.35,1.91,;7.81,1.91,;7.04,.58,;5.5,.58,;7.81,-.75,;2.42,-2.09,;.88,-2.09,;-.03,-3.33,;-1.49,-2.86,;-2.83,-3.63,;-4.16,-2.86,;-5.5,-3.63,;-4.16,-1.32,;-2.83,-.55,;-1.49,-1.32,;-.03,-.84,;1.48,-.52,;1.95,.94,;.92,2.09,;-.58,1.77,;-1.06,.3,;.15,3.42,;-1.39,3.42,;-2.16,4.75,;-3.7,4.75,;-4.47,3.42,;-3.7,2.09,;-4.47,.75,;-2.16,2.09,;2.43,2.41,;3.46,1.26,;2.9,3.87,)|
C[C@@H](COc1cccc2CCC[C@@H](C)c12)CN1Cc2cc(C)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,wD:25.28,1.0,28.35,12.12,(2.42,-4.75,;3.19,-3.42,;4.73,-3.42,;5.5,-2.09,;7.04,-2.09,;7.81,-3.42,;9.35,-3.42,;10.12,-2.09,;9.35,-.75,;10.12,.58,;9.35,1.91,;7.81,1.91,;7.04,.58,;5.5,.58,;7.81,-.75,;2.42,-2.09,;.88,-2.09,;-.03,-3.33,;-1.49,-2.86,;-2.83,-3.63,;-4.16,-2.86,;-5.5,-3.63,;-4.16,-1.32,;-2.83,-.55,;-1.49,-1.32,;-.03,-.84,;1.48,-.52,;1.95,.94,;.92,2.09,;-.58,1.77,;-1.06,.3,;.15,3.42,;-1.39,3.42,;-2.16,4.75,;-3.7,4.75,;-4.47,3.42,;-3.7,2.09,;-4.47,.75,;-2.16,2.09,;2.43,2.41,;3.46,1.26,;2.9,3.87,)|
C[C@@H](COc1cccc2CCC[C@@H](C)c12)CN1Cc2cc(C)ccc2[C@@]11CC[C@](CC1)(Nc1ccc(F)c(Cl)c1)C(O)=O |r,wU:28.45,wD:28.35,25.28,1.0,12.12,(2.6,-4.74,;3.37,-3.41,;4.91,-3.41,;5.68,-2.08,;7.22,-2.08,;7.99,-3.41,;9.53,-3.41,;10.3,-2.08,;9.53,-.74,;10.3,.59,;9.53,1.92,;7.99,1.92,;7.22,.59,;5.68,.59,;7.99,-.74,;2.6,-2.08,;1.07,-2.08,;.16,-3.33,;-1.3,-2.85,;-2.64,-3.62,;-3.97,-2.85,;-5.31,-3.62,;-3.97,-1.31,;-2.64,-.54,;-1.3,-1.31,;.16,-.84,;1.68,-.57,;2.2,.88,;1.21,2.06,;-.31,1.79,;-.83,.34,;.47,3.41,;-1.07,3.41,;-1.84,4.74,;-3.38,4.74,;-4.15,3.41,;-5.68,3.54,;-3.38,2.08,;-4,.67,;-1.84,2.08,;2.71,2.4,;3.75,1.26,;3.17,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc(C)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,wD:25.28,1.0,28.35,12.12,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CN1Cc2cc(Cl)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,wD:25.28,1.0,28.35,12.12,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
OC(=O)C1(CCC2(CCc3ccccc23)CC1)Nc1cccc(Br)c1 |(3.97,.76,;2.91,1.87,;3.34,3.35,;1.41,1.51,;2.4,.33,;1.88,-1.12,;.37,-1.39,;1.27,-2.64,;.37,-3.88,;-1.1,-3.41,;-2.43,-4.18,;-3.77,-3.41,;-3.77,-1.87,;-2.43,-1.1,;-1.1,-1.87,;-.63,-.21,;-.1,1.23,;.65,2.84,;-.89,2.84,;-1.66,4.18,;-3.2,4.18,;-3.97,2.84,;-3.2,1.51,;-3.87,.12,;-1.66,1.51,)|
OC(=O)C1(CCC2(CC1)C=Cc1ccccc21)Nc1cccc(Br)c1 |c:10,(3.97,.76,;2.91,1.87,;3.34,3.35,;1.41,1.51,;2.4,.33,;1.88,-1.12,;.37,-1.39,;-.63,-.21,;-.1,1.23,;1.27,-2.64,;.37,-3.88,;-1.1,-3.41,;-2.43,-4.18,;-3.77,-3.41,;-3.77,-1.87,;-2.43,-1.1,;-1.1,-1.87,;.65,2.84,;-.89,2.84,;-1.66,4.18,;-3.2,4.18,;-3.97,2.84,;-3.2,1.51,;-3.87,.12,;-1.66,1.51,)|
OC(=O)C1(CCC2(CC1)C=Cc1cccc(Br)c21)Nc1cccc(Br)c1 |c:10,(3.97,.76,;2.91,1.87,;3.34,3.35,;1.41,1.51,;2.4,.33,;1.88,-1.12,;.37,-1.39,;-.63,-.21,;-.1,1.23,;1.27,-2.64,;.37,-3.88,;-1.1,-3.41,;-2.43,-4.18,;-3.77,-3.41,;-3.77,-1.87,;-2.43,-1.1,;-2.43,.44,;-1.1,-1.87,;.65,2.84,;-.89,2.84,;-1.66,4.18,;-3.2,4.18,;-3.97,2.84,;-3.2,1.51,;-3.87,.12,;-1.66,1.51,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C=Cc1c2cccc1Br)Nc1cccc(Br)c1 |r,wU:3.2,wD:3.20,6.9,c:10,(3.97,1.53,;2.91,2.64,;3.34,4.12,;1.41,2.28,;2.4,1.1,;1.88,-.35,;.37,-.62,;-.63,.56,;-.1,2,;1.27,-1.87,;.37,-3.11,;-1.1,-2.64,;-1.1,-1.1,;-2.43,-.33,;-3.77,-1.1,;-3.77,-2.64,;-2.43,-3.41,;-2.43,-4.95,;.65,3.61,;-.89,3.61,;-1.66,4.95,;-3.2,4.95,;-3.97,3.61,;-3.2,2.28,;-3.87,.89,;-1.66,2.28,)|
COc1ccc2CC[C@]3(CC[C@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:11.23,wD:8.7,11.14,(-5.09,-1.9,;-3.75,-1.13,;-2.42,-1.9,;-2.42,-3.44,;-1.09,-4.21,;.25,-3.44,;1.71,-3.92,;2.62,-2.67,;1.71,-1.43,;3.2,-1.03,;3.6,.46,;2.51,1.55,;1.02,1.15,;.62,-.34,;1.74,2.88,;.2,2.88,;-.57,4.21,;-2.11,4.21,;-2.88,2.88,;-2.11,1.55,;-2.88,.21,;-.57,1.55,;4,1.95,;5.09,.86,;4.4,3.43,;.25,-1.9,;-1.09,-1.13,)|
COc1ccc2CC[C@]3(CC[C@@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:11.14,wD:8.7,11.23,(-5.09,-1.9,;-3.75,-1.13,;-2.42,-1.9,;-2.42,-3.44,;-1.09,-4.21,;.25,-3.44,;1.71,-3.92,;2.62,-2.67,;1.71,-1.43,;3.2,-1.03,;3.6,.46,;2.51,1.55,;1.02,1.15,;.62,-.34,;1.74,2.88,;.2,2.88,;-.57,4.21,;-2.11,4.21,;-2.88,2.88,;-2.11,1.55,;-2.88,.21,;-.57,1.55,;4,1.95,;5.09,.86,;4.4,3.43,;.25,-1.9,;-1.09,-1.13,)|
OC(=O)[C@]1(CC[C@]2(CCc3ccc(O)cc23)CC1)Nc1cccc(Br)c1 |r,wU:3.2,wD:6.6,3.20,(4.42,.86,;3.33,1.95,;3.73,3.43,;1.84,1.55,;2.93,.46,;2.53,-1.03,;1.05,-1.43,;1.95,-2.67,;1.05,-3.92,;-.42,-3.44,;-1.75,-4.21,;-3.09,-3.44,;-3.09,-1.9,;-4.42,-1.13,;-1.75,-1.13,;-.42,-1.9,;-.04,-.34,;.36,1.15,;1.07,2.88,;-.47,2.88,;-1.24,4.21,;-2.78,4.21,;-3.55,2.88,;-2.78,1.55,;-3.55,.21,;-1.24,1.55,)|
C1COC2(CCC3(CC2)C=Cc2ccccc32)O1 |c:10|
OC(=O)[C@@]1(CC[C@@]2(CC1)C=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.19,wD:6.9,3.2,c:10,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;-.48,-.34,;-.08,1.15,;1.51,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,)|
COCCOc1ccc2CC[C@]3(CC[C@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:14.26,wD:11.10,14.17,(-4.42,1.18,;-5.75,.41,;-5.75,-1.13,;-4.42,-1.9,;-3.09,-1.13,;-1.75,-1.9,;-1.75,-3.44,;-.42,-4.21,;.92,-3.44,;2.38,-3.92,;3.28,-2.67,;2.38,-1.43,;3.87,-1.03,;4.27,.46,;3.18,1.55,;1.69,1.15,;1.29,-.34,;2.41,2.88,;.87,2.88,;.1,4.21,;-1.44,4.21,;-2.21,2.88,;-1.44,1.55,;-2.21,.21,;.1,1.55,;4.66,1.95,;5.75,.86,;5.06,3.43,;.92,-1.9,;-.42,-1.13,)|
Brc1cccc(N[C@@]2(CC[C@]3(CCc4ccc(OCC=C)cc34)CC2)C(=O)OCC=C)c1 |r,wU:7.27,wD:10.10,7.6,(-4.25,.21,;-3.48,1.55,;-4.25,2.88,;-3.48,4.21,;-1.94,4.21,;-1.17,2.88,;.37,2.88,;1.14,1.55,;2.23,.46,;1.84,-1.03,;.35,-1.43,;1.25,-2.67,;.35,-3.92,;-1.12,-3.44,;-2.45,-4.21,;-3.78,-3.44,;-3.78,-1.9,;-5.12,-1.13,;-6.45,-1.9,;-7.79,-1.13,;-7.79,.41,;-2.45,-1.13,;-1.12,-1.9,;-.74,-.34,;-.34,1.15,;2.63,1.95,;3.03,3.43,;3.72,.86,;5.21,1.25,;6.3,.17,;7.79,.56,;-1.94,1.55,)|
OC(=O)[C@]1(CC[C@]2(CCc3ccccc23)CC1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.6,3.19,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;1.51,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;-.48,-.34,;-.08,1.15,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,)|
OC(=O)[C@]1(CC[C@]2(CCc3ncccc23)CC1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.6,3.19,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;1.51,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;-.48,-.34,;-.08,1.15,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,)|
OC(=O)[C@@]1(CCC2(CC1)C=Cc1cccnc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:3.19,c:10,(3.96,.7,;2.93,1.84,;3.41,3.31,;1.43,1.52,;-.08,1.2,;-.56,-.26,;.47,-1.41,;1.98,-1.09,;2.46,.38,;1.38,-2.65,;.47,-3.9,;-.99,-3.42,;-2.32,-4.19,;-3.66,-3.42,;-3.66,-1.88,;-2.32,-1.11,;-.99,-1.88,;.66,2.86,;-.88,2.86,;-1.65,4.19,;-3.19,4.19,;-3.96,2.86,;-3.19,1.52,;-3.96,.19,;-1.65,1.52,)|
OC(=O)[C@@]1(CCC2(CC1)C=Cc1cccnc21)Nc1cccc(Cl)c1 |r,wU:3.19,wD:3.2,c:10,(3.96,.7,;2.93,1.84,;3.41,3.31,;1.43,1.52,;2.46,.38,;1.98,-1.09,;.47,-1.41,;-.56,-.26,;-.08,1.2,;1.38,-2.65,;.47,-3.9,;-.99,-3.42,;-2.32,-4.19,;-3.66,-3.42,;-3.66,-1.88,;-2.32,-1.11,;-.99,-1.88,;.66,2.86,;-.88,2.86,;-1.65,4.19,;-3.19,4.19,;-3.96,2.86,;-3.19,1.52,;-3.96,.19,;-1.65,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C=Cc1ccccc21)N(C)c1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.20,c:11,(4.72,1.02,;3.21,.7,;2.18,1.84,;2.66,3.31,;.67,1.52,;1.7,.38,;1.23,-1.09,;-.28,-1.41,;-1.31,-.26,;-.83,1.2,;.63,-2.65,;-.28,-3.9,;-1.74,-3.42,;-3.08,-4.19,;-4.41,-3.42,;-4.41,-1.88,;-3.08,-1.11,;-1.74,-1.88,;-.1,2.86,;.67,4.19,;-1.64,2.86,;-2.41,4.19,;-3.95,4.19,;-4.72,2.86,;-3.95,1.52,;-4.72,.19,;-2.41,1.52,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.20,wD:6.9,3.2,c:11,(3.96,.7,;2.93,1.84,;3.41,3.31,;1.43,1.52,;2.46,.38,;1.98,-1.09,;.47,-1.41,;-.56,-.26,;-.08,1.2,;1.38,-2.65,;2.92,-2.65,;.47,-3.9,;-.99,-3.42,;-2.32,-4.19,;-3.66,-3.42,;-3.66,-1.88,;-2.32,-1.11,;-.99,-1.88,;.66,2.86,;-.88,2.86,;-1.65,4.19,;-3.19,4.19,;-3.96,2.86,;-3.19,1.52,;-3.96,.19,;-1.65,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.20,c:11,(3.96,.7,;2.93,1.84,;3.41,3.31,;1.43,1.52,;2.46,.38,;1.98,-1.09,;.47,-1.41,;-.56,-.26,;-.08,1.2,;1.38,-2.65,;2.92,-2.65,;.47,-3.9,;-.99,-3.42,;-2.32,-4.19,;-3.66,-3.42,;-3.66,-1.88,;-2.32,-1.11,;-.99,-1.88,;.66,2.86,;-.88,2.86,;-1.65,4.19,;-3.19,4.19,;-3.96,2.86,;-3.19,1.52,;-3.96,.19,;-1.65,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(I)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.20,c:11,(3.96,.7,;2.93,1.84,;3.41,3.31,;1.43,1.52,;2.46,.38,;1.98,-1.09,;.47,-1.41,;-.56,-.26,;-.08,1.2,;1.38,-2.65,;2.92,-2.65,;.47,-3.9,;-.99,-3.42,;-2.32,-4.19,;-3.66,-3.42,;-3.66,-1.88,;-2.32,-1.11,;-.99,-1.88,;.66,2.86,;-.88,2.86,;-1.65,4.19,;-3.19,4.19,;-3.96,2.86,;-3.19,1.52,;-3.96,.19,;-1.65,1.52,)|
Brc1cccc(N[C@@]2(CC[C@@]3(CC2)C(I)=Cc2ccccc32)C#N)c1 |r,wU:7.24,wD:10.13,7.6,c:15,(-4.18,.21,;-3.41,1.55,;-4.18,2.88,;-3.41,4.21,;-1.87,4.21,;-1.1,2.88,;.44,2.88,;1.21,1.55,;2.3,.46,;1.9,-1.03,;.41,-1.43,;-.68,-.34,;-.28,1.15,;1.32,-2.67,;2.86,-2.67,;.41,-3.92,;-1.05,-3.44,;-2.39,-4.21,;-3.72,-3.44,;-3.72,-1.9,;-2.39,-1.13,;-1.05,-1.9,;2.69,1.95,;4.18,2.34,;-1.87,1.55,)|
BrC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C#N |r,wU:12.26,wD:9.10,12.17,t:1,(2.86,-2.67,;1.32,-2.67,;.41,-3.92,;-1.05,-3.44,;-2.39,-4.21,;-3.72,-3.44,;-3.72,-1.9,;-2.39,-1.13,;-1.05,-1.9,;.41,-1.43,;1.9,-1.03,;2.3,.46,;1.21,1.55,;-.28,1.15,;-.68,-.34,;.44,2.88,;-1.1,2.88,;-1.87,4.21,;-3.41,4.21,;-4.18,2.88,;-3.41,1.55,;-4.18,.21,;-1.87,1.55,;2.69,1.95,;4.18,2.34,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cncc(Br)c1 |r,wU:3.2,wD:6.9,3.20,c:11,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;-.48,-.34,;-.08,1.15,;1.51,-2.67,;3.05,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,)|
COCCOc1cccc(N[C@@]2(CC[C@@]3(CC2)C(Br)=Cc2ccccc32)C(O)=O)n1 |r,wU:11.28,wD:14.17,11.10,c:19,(-5.14,-3.79,;-4.37,-2.45,;-5.14,-1.12,;-4.37,.21,;-2.83,.21,;-2.06,1.55,;-2.83,2.88,;-2.06,4.21,;-.52,4.21,;.25,2.88,;1.79,2.88,;2.56,1.55,;3.65,.46,;3.25,-1.03,;1.76,-1.43,;.68,-.34,;1.07,1.15,;2.67,-2.67,;4.21,-2.67,;1.76,-3.92,;.3,-3.44,;-1.03,-4.21,;-2.37,-3.44,;-2.37,-1.9,;-1.03,-1.13,;.3,-1.9,;4.05,1.95,;5.14,.86,;4.45,3.43,;-.52,1.55,)|
COCCOc1cc(N[C@@]2(CC[C@@]3(CC2)C(Br)=Cc2ccccc32)C(O)=O)ccn1 |r,wU:9.26,wD:12.15,9.8,c:17,(-5.14,-3.79,;-4.37,-2.45,;-5.14,-1.12,;-4.37,.21,;-2.83,.21,;-2.06,1.55,;-.52,1.55,;.25,2.88,;1.79,2.88,;2.56,1.55,;3.65,.46,;3.25,-1.03,;1.76,-1.43,;.68,-.34,;1.07,1.15,;2.67,-2.67,;4.21,-2.67,;1.76,-3.92,;.3,-3.44,;-1.03,-4.21,;-2.37,-3.44,;-2.37,-1.9,;-1.03,-1.13,;.3,-1.9,;4.05,1.95,;5.14,.86,;4.45,3.43,;-.52,4.21,;-2.06,4.21,;-2.83,2.88,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccc(c1)C#N |r,wU:3.2,wD:6.9,3.20,c:11,(4.37,.86,;3.28,1.95,;3.68,3.43,;1.79,1.55,;2.88,.46,;2.48,-1.03,;.99,-1.43,;-.09,-.34,;.3,1.15,;1.9,-2.67,;3.44,-2.67,;.99,-3.92,;-.47,-3.44,;-1.8,-4.21,;-3.14,-3.44,;-3.14,-1.9,;-1.8,-1.13,;-.47,-1.9,;1.02,2.88,;-.52,2.88,;-1.29,4.21,;-2.83,4.21,;-3.6,2.88,;-2.83,1.55,;-1.29,1.55,;-3.6,.21,;-4.37,-1.12,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccc(c1)C(F)F |r,wU:3.2,wD:6.9,3.20,c:11,(4.75,.86,;3.66,1.95,;4.06,3.43,;2.18,1.55,;3.27,.46,;2.87,-1.03,;1.38,-1.43,;.29,-.34,;.69,1.15,;2.28,-2.67,;3.82,-2.67,;1.38,-3.92,;-.08,-3.44,;-1.42,-4.21,;-2.75,-3.44,;-2.75,-1.9,;-1.42,-1.13,;-.08,-1.9,;1.41,2.88,;-.13,2.88,;-.9,4.21,;-2.44,4.21,;-3.21,2.88,;-2.44,1.55,;-.9,1.55,;-3.21,.21,;-2.44,-1.12,;-4.75,.21,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccc(O)c1 |r,wU:3.2,wD:6.9,3.20,c:11,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;-.48,-.34,;-.08,1.15,;1.51,-2.67,;3.05,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-3.98,.21,;-1.67,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccc(c1)C(F)(F)F |r,wU:3.2,wD:6.9,3.20,c:11,(4.75,.86,;3.66,1.95,;4.06,3.43,;2.18,1.55,;3.27,.46,;2.87,-1.03,;1.38,-1.43,;.29,-.34,;.69,1.15,;2.28,-2.67,;3.82,-2.67,;1.38,-3.92,;-.08,-3.44,;-1.42,-4.21,;-2.75,-3.44,;-2.75,-1.9,;-1.42,-1.13,;-.08,-1.9,;1.41,2.88,;-.13,2.88,;-.9,4.21,;-2.44,4.21,;-3.21,2.88,;-2.44,1.55,;-.9,1.55,;-3.21,.21,;-2.44,-1.12,;-4.75,.21,;-3.98,-1.12,)|
COc1cccc(N[C@@]2(CC[C@@]3(CC2)C(Br)=Cc2ccccc32)C(O)=O)c1 |r,wU:8.25,wD:11.14,8.7,c:16,(-4.75,.21,;-3.21,.21,;-2.44,1.55,;-3.21,2.88,;-2.44,4.21,;-.9,4.21,;-.13,2.88,;1.41,2.88,;2.18,1.55,;3.27,.46,;2.87,-1.03,;1.38,-1.43,;.29,-.34,;.69,1.15,;2.28,-2.67,;3.82,-2.67,;1.38,-3.92,;-.08,-3.44,;-1.42,-4.21,;-2.75,-3.44,;-2.75,-1.9,;-1.42,-1.13,;-.08,-1.9,;3.66,1.95,;4.75,.86,;4.06,3.43,;-.9,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccccc21)Nc1cccnc1 |r,wU:3.2,wD:6.9,3.20,c:11,(3.98,.86,;2.89,1.95,;3.29,3.43,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;-.48,-.34,;-.08,1.15,;1.51,-2.67,;3.05,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;.64,2.88,;-.9,2.88,;-1.67,4.21,;-3.21,4.21,;-3.98,2.88,;-3.21,1.55,;-1.67,1.55,)|
Cc1cccc(N[C@@]2(CC[C@@]3(CC2)C(Br)=Cc2ccccc32)C(O)=O)c1 |r,wU:7.24,wD:10.13,7.6,c:15,(-3.98,.21,;-3.21,1.55,;-3.98,2.88,;-3.21,4.21,;-1.67,4.21,;-.9,2.88,;.64,2.88,;1.41,1.55,;2.5,.46,;2.1,-1.03,;.61,-1.43,;-.48,-.34,;-.08,1.15,;1.51,-2.67,;3.05,-2.67,;.61,-3.92,;-.85,-3.44,;-2.19,-4.21,;-3.52,-3.44,;-3.52,-1.9,;-2.19,-1.13,;-.85,-1.9,;2.89,1.95,;3.98,.86,;3.29,3.43,;-1.67,1.55,)|
COc1ccc2CC3(CCCC3)[C@@]3(CC[C@@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:12.31,15.28,wD:15.19,(7.18,-1.84,;5.84,-1.07,;4.51,-1.84,;4.51,-3.38,;3.18,-4.15,;1.84,-3.38,;.38,-3.85,;-.53,-2.61,;-1.77,-1.7,;-3.02,-2.6,;-2.55,-4.07,;-1.01,-4.07,;.38,-1.36,;-1.13,-1.04,;-1.61,.42,;-.58,1.57,;.93,1.25,;1.41,-.22,;-2.08,1.89,;-3.11,.74,;-2.71,-.74,;-3.8,-1.83,;-5.29,-1.43,;-5.69,.05,;-7.18,.45,;-4.6,1.14,;.51,2.66,;2,2.26,;.12,4.15,;1.84,-1.84,;3.18,-1.07,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1CC1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.23,c:10,(3.02,2.38,;1.53,2.78,;1.13,4.27,;.76,1.45,;2.26,1.13,;2.74,-.34,;1.71,-1.48,;.2,-1.16,;-.27,.3,;.81,-2.73,;1.71,-3.97,;3.18,-3.5,;4.51,-4.27,;5.84,-3.5,;5.84,-1.96,;4.51,-1.19,;3.18,-1.96,;-.73,-2.73,;-2.07,-1.96,;-2.07,-3.5,;-.75,1.77,;-1.78,.62,;-1.38,-.86,;-2.47,-1.95,;-3.96,-1.56,;-4.35,-.07,;-5.84,.33,;-3.27,1.02,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)C1CCCC1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.25,(3.11,1.23,;2.02,2.32,;2.42,3.8,;.69,1.55,;1.78,.46,;1.38,-1.03,;-.11,-1.43,;-1.2,-.34,;-.8,1.15,;.79,-2.67,;-.11,-3.92,;-1.58,-3.44,;-2.91,-4.21,;-4.24,-3.44,;-4.24,-1.9,;-2.91,-1.13,;-1.58,-1.9,;2.33,-2.67,;3.24,-3.92,;4.7,-3.44,;4.7,-1.9,;3.24,-1.43,;-.08,2.88,;-1.62,2.88,;-2.39,4.21,;-3.93,4.21,;-4.7,2.88,;-3.93,1.55,;-4.7,.21,;-2.39,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)C1CCCC1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.25,(3.11,1.23,;2.02,2.32,;2.42,3.8,;.69,1.55,;1.78,.46,;1.38,-1.03,;-.11,-1.43,;-1.2,-.34,;-.8,1.15,;.79,-2.67,;-.11,-3.92,;-1.58,-3.44,;-2.91,-4.21,;-4.24,-3.44,;-4.24,-1.9,;-2.91,-1.13,;-1.58,-1.9,;2.33,-2.67,;3.24,-3.92,;4.7,-3.44,;4.7,-1.9,;3.24,-1.43,;-.08,2.88,;-1.62,2.88,;-2.39,4.21,;-3.93,4.21,;-4.7,2.88,;-3.93,1.55,;-4.7,.21,;-2.39,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)=C1CCCC1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.25,(3.11,1.23,;2.02,2.32,;2.42,3.8,;.69,1.55,;1.78,.46,;1.38,-1.03,;-.11,-1.43,;-1.2,-.34,;-.8,1.15,;.79,-2.67,;-.11,-3.92,;-1.58,-3.44,;-2.91,-4.21,;-4.24,-3.44,;-4.24,-1.9,;-2.91,-1.13,;-1.58,-1.9,;2.33,-2.67,;3.24,-3.92,;4.7,-3.44,;4.7,-1.9,;3.24,-1.43,;-.08,2.88,;-1.62,2.88,;-2.39,4.21,;-3.93,4.21,;-4.7,2.88,;-3.93,1.55,;-4.7,.21,;-2.39,1.55,)|
COc1ccc2CC3(CCCC3)[C@@]3(CC[C@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:12.31,15.19,wD:15.28,(7.18,-1.84,;5.84,-1.07,;4.51,-1.84,;4.51,-3.38,;3.18,-4.15,;1.84,-3.38,;.38,-3.85,;-.53,-2.61,;-1.77,-1.7,;-3.02,-2.6,;-2.55,-4.07,;-1.01,-4.07,;.38,-1.36,;-1.13,-1.04,;-1.61,.42,;-.58,1.57,;.93,1.25,;1.41,-.22,;-2.08,1.89,;-3.11,.74,;-2.71,-.74,;-3.8,-1.83,;-5.29,-1.43,;-5.69,.05,;-7.18,.45,;-4.6,1.14,;.51,2.66,;2,2.26,;.12,4.15,;1.84,-1.84,;3.18,-1.07,)|
COc1ccc2CC3(CCCC3)[C@@]3(CC[C@@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:12.31,15.28,wD:15.19,(7.18,-1.84,;5.84,-1.07,;4.51,-1.84,;4.51,-3.38,;3.18,-4.15,;1.84,-3.38,;.38,-3.85,;-.53,-2.61,;-1.77,-1.7,;-3.02,-2.6,;-2.55,-4.07,;-1.01,-4.07,;.38,-1.36,;-1.13,-1.04,;-1.61,.42,;-.58,1.57,;.93,1.25,;1.41,-.22,;-2.08,1.89,;-3.11,.74,;-2.71,-.74,;-3.8,-1.83,;-5.29,-1.43,;-5.69,.05,;-7.18,.45,;-4.6,1.14,;.51,2.66,;2,2.26,;.12,4.15,;1.84,-1.84,;3.18,-1.07,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1CCC1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.24,c:10,(3.72,1.07,;2.63,2.16,;3.03,3.65,;1.29,1.39,;2.06,.06,;1.29,-1.27,;-.25,-1.27,;-1.02,.06,;-.25,1.39,;.66,-2.52,;-.25,-3.77,;-1.71,-3.29,;-3.04,-4.06,;-4.38,-3.29,;-4.38,-1.75,;-3.04,-.98,;-1.71,-1.75,;2.2,-2.52,;3.29,-3.61,;4.38,-2.52,;3.29,-1.43,;.52,2.73,;-1.02,2.73,;-1.79,4.06,;-3.33,4.06,;-4.1,2.73,;-3.33,1.39,;-4.1,.06,;-1.79,1.39,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1CC(C1)OCc1ccccc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.33,c:10,(.25,1.07,;-.84,2.16,;-.44,3.65,;-2.17,1.39,;-1.4,.06,;-2.17,-1.27,;-3.71,-1.27,;-4.48,.06,;-3.71,1.39,;-2.81,-2.52,;-3.71,-3.77,;-5.18,-3.29,;-6.51,-4.06,;-7.84,-3.29,;-7.84,-1.75,;-6.51,-.98,;-5.18,-1.75,;-1.27,-2.52,;-.18,-3.61,;.91,-2.52,;-.18,-1.43,;2.45,-2.52,;3.22,-1.19,;4.76,-1.19,;5.53,-2.52,;7.07,-2.52,;7.84,-1.19,;7.07,.15,;5.53,.15,;-2.94,2.73,;-4.48,2.73,;-5.25,4.06,;-6.79,4.06,;-7.56,2.73,;-6.79,1.39,;-7.56,.06,;-5.25,1.39,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1CN(Cc2ccncc2)C1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.32,c:10,(.86,1.46,;-.23,2.55,;.17,4.04,;-1.56,1.78,;-.38,.81,;-.63,-.71,;-2.07,-1.25,;-3.26,-.28,;-3.01,1.24,;-1.16,-2.5,;-2.07,-3.75,;-3.53,-3.27,;-4.87,-4.04,;-6.2,-3.27,;-6.2,-1.73,;-4.87,-.96,;-3.53,-1.73,;.38,-2.5,;1.46,-3.59,;2.55,-2.5,;4.09,-2.5,;4.86,-1.17,;6.4,-1.17,;7.17,.17,;6.4,1.5,;4.86,1.5,;4.09,.17,;1.46,-1.41,;-2.75,2.76,;-4.2,2.22,;-5.28,3.31,;-6.77,2.92,;-7.17,1.43,;-6.09,.34,;-6.49,-1.15,;-4.6,.73,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1CN(Cc2c(F)ccc(F)c2F)C1)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.36,c:11,(2.35,1.86,;.86,1.46,;-.23,2.55,;.17,4.04,;-1.56,1.78,;-.38,.81,;-.63,-.71,;-2.07,-1.25,;-3.26,-.28,;-3.01,1.24,;-1.16,-2.5,;-2.07,-3.75,;-3.53,-3.27,;-4.87,-4.04,;-6.2,-3.27,;-6.2,-1.73,;-4.87,-.96,;-3.53,-1.73,;.38,-2.5,;1.46,-3.59,;2.55,-2.5,;4.09,-2.5,;4.86,-1.17,;6.4,-1.17,;7.17,-2.5,;7.17,.17,;6.4,1.5,;4.86,1.5,;4.09,2.83,;4.09,.17,;2.55,.17,;1.46,-1.41,;-2.75,2.76,;-4.2,2.22,;-5.28,3.31,;-6.77,2.92,;-7.17,1.43,;-6.09,.34,;-6.49,-1.15,;-4.6,.73,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)C1CCC1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.24,9.19,(3.51,1.32,;2.35,2.33,;2.65,3.84,;.89,1.84,;1.96,.72,;1.52,-.76,;.03,-1.12,;-1.04,-0,;-.6,1.47,;.93,-2.36,;.03,-3.61,;-1.44,-3.13,;-2.77,-3.9,;-4.11,-3.13,;-4.11,-1.59,;-2.77,-.82,;-1.44,-1.59,;2.47,-2.39,;3.58,-1.32,;4.65,-2.42,;3.54,-3.5,;-.1,3.01,;-1.62,2.73,;-2.62,3.9,;-4.13,3.63,;-4.65,2.18,;-3.65,1,;-4.42,-.33,;-2.13,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)C1CCC1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,9.19,wD:3.24,(3.51,1.32,;2.35,2.33,;2.65,3.84,;.89,1.84,;1.96,.72,;1.52,-.76,;.03,-1.12,;-1.04,-0,;-.6,1.47,;.93,-2.36,;.03,-3.61,;-1.44,-3.13,;-2.77,-3.9,;-4.11,-3.13,;-4.11,-1.59,;-2.77,-.82,;-1.44,-1.59,;2.47,-2.39,;3.58,-1.32,;4.65,-2.42,;3.54,-3.5,;-.1,3.01,;-1.62,2.73,;-2.62,3.9,;-4.13,3.63,;-4.65,2.18,;-3.65,1,;-4.42,-.33,;-2.13,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1CN(CC(F)(F)F)C1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.29,c:10,(1.59,1.32,;.43,2.33,;.73,3.84,;-1.03,1.84,;.03,.72,;-.4,-.76,;-1.9,-1.12,;-2.96,-0,;-2.53,1.47,;-.99,-2.36,;-1.9,-3.61,;-3.36,-3.13,;-4.7,-3.9,;-6.03,-3.13,;-6.03,-1.59,;-4.7,-.82,;-3.36,-1.59,;.55,-2.36,;1.63,-1.28,;2.72,-2.36,;4.26,-2.36,;5.03,-1.03,;6.57,-1.03,;5.43,.46,;4.26,.3,;1.63,-3.45,;-2.03,3.01,;-3.54,2.73,;-4.54,3.9,;-6.06,3.63,;-6.57,2.18,;-5.57,1,;-6.34,-.33,;-4.06,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccnc2ccsc12)Nc1cccc(Cl)c1 |r,wU:19.23,6.17,3.2,9.10,wD:17.19,3.36,(.4,1.32,;-.75,2.33,;-.45,3.84,;-2.21,1.84,;-1.15,.72,;-1.58,-.76,;-3.08,-1.12,;-4.14,-0,;-3.71,1.47,;-2.18,-2.36,;-3.08,-3.61,;-4.55,-3.13,;-5.88,-3.9,;-7.21,-3.13,;-7.21,-1.59,;-5.88,-.82,;-4.55,-1.59,;-.64,-2.36,;.7,-3.13,;.7,-1.59,;1.47,-.26,;3.01,-.26,;3.78,1.07,;3.01,2.41,;3.78,3.74,;5.32,3.74,;6.09,2.41,;7.59,2.09,;7.75,.56,;6.35,-.07,;5.32,1.07,;-3.21,3.01,;-4.73,2.73,;-5.72,3.9,;-7.24,3.63,;-7.75,2.18,;-6.76,1,;-7.53,-.33,;-5.24,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccnc2ccsc12)Nc1cccc(Cl)c1 |r,wU:19.23,6.17,3.2,wD:17.19,3.36,9.10,(.4,1.32,;-.75,2.33,;-.45,3.84,;-2.21,1.84,;-1.15,.72,;-1.58,-.76,;-3.08,-1.12,;-4.14,-0,;-3.71,1.47,;-2.18,-2.36,;-3.08,-3.61,;-4.55,-3.13,;-5.88,-3.9,;-7.21,-3.13,;-7.21,-1.59,;-5.88,-.82,;-4.55,-1.59,;-.64,-2.36,;.7,-3.13,;.7,-1.59,;1.47,-.26,;3.01,-.26,;3.78,1.07,;3.01,2.41,;3.78,3.74,;5.32,3.74,;6.09,2.41,;7.59,2.09,;7.75,.56,;6.35,-.07,;5.32,1.07,;-3.21,3.01,;-4.73,2.73,;-5.72,3.9,;-7.24,3.63,;-7.75,2.18,;-6.76,1,;-7.53,-.33,;-5.24,1.28,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccnc2ccsc12)Nc1cccc(Cl)c1 |r,wU:19.23,3.2,9.10,wD:17.19,3.36,6.17,(.4,1.32,;-.75,2.33,;-.45,3.84,;-2.21,1.84,;-3.71,1.47,;-4.14,-0,;-3.08,-1.12,;-1.58,-.76,;-1.15,.72,;-2.18,-2.36,;-3.08,-3.61,;-4.55,-3.13,;-5.88,-3.9,;-7.21,-3.13,;-7.21,-1.59,;-5.88,-.82,;-4.55,-1.59,;-.64,-2.36,;.7,-3.13,;.7,-1.59,;1.47,-.26,;3.01,-.26,;3.78,1.07,;3.01,2.41,;3.78,3.74,;5.32,3.74,;6.09,2.41,;7.59,2.09,;7.75,.56,;6.35,-.07,;5.32,1.07,;-3.21,3.01,;-4.73,2.73,;-5.72,3.9,;-7.24,3.63,;-7.75,2.18,;-6.76,1,;-7.53,-.33,;-5.24,1.28,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccnc2ccsc12)Nc1cccc(Cl)c1 |r,wU:19.23,3.2,wD:17.19,3.36,6.17,9.10,(.4,1.32,;-.75,2.33,;-.45,3.84,;-2.21,1.84,;-3.71,1.47,;-4.14,-0,;-3.08,-1.12,;-1.58,-.76,;-1.15,.72,;-2.18,-2.36,;-3.08,-3.61,;-4.55,-3.13,;-5.88,-3.9,;-7.21,-3.13,;-7.21,-1.59,;-5.88,-.82,;-4.55,-1.59,;-.64,-2.36,;.7,-3.13,;.7,-1.59,;1.47,-.26,;3.01,-.26,;3.78,1.07,;3.01,2.41,;3.78,3.74,;5.32,3.74,;6.09,2.41,;7.59,2.09,;7.75,.56,;6.35,-.07,;5.32,1.07,;-3.21,3.01,;-4.73,2.73,;-5.72,3.9,;-7.24,3.63,;-7.75,2.18,;-6.76,1,;-7.53,-.33,;-5.24,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H]1C[C@H]1c1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.19,3.2,11.11,9.10,wD:3.21,(4.1,.88,;2.77,1.65,;2.77,3.19,;1.44,.88,;2.47,-.27,;1.99,-1.73,;.48,-2.05,;-.55,-.91,;-.07,.56,;1.39,-3.3,;2.02,-4.71,;.48,-4.55,;-.98,-4.07,;-2.31,-4.84,;-3.65,-4.07,;-3.65,-2.53,;-2.31,-1.76,;-.98,-2.53,;1.12,2.38,;-.35,2.86,;-.67,4.36,;-2.13,4.84,;-3.28,3.81,;-2.96,2.3,;-4.1,1.27,;-1.49,1.83,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@H]1C[C@H]1c1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,11.11,9.10,wD:3.21,6.19,(4.1,.88,;2.77,1.65,;2.77,3.19,;1.44,.88,;-.07,.56,;-.55,-.91,;.48,-2.05,;1.99,-1.73,;2.47,-.27,;1.39,-3.3,;2.02,-4.71,;.48,-4.55,;-.98,-4.07,;-2.31,-4.84,;-3.65,-4.07,;-3.65,-2.53,;-2.31,-1.76,;-.98,-2.53,;1.12,2.38,;-.35,2.86,;-.67,4.36,;-2.13,4.84,;-3.28,3.81,;-2.96,2.3,;-4.1,1.27,;-1.49,1.83,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccccc1)Nc1cccc(Cl)c1 |r,wU:19.23,6.17,3.2,9.10,wD:17.19,3.32,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-.32,.72,;-.75,-.76,;-2.25,-1.12,;-3.31,-0,;-2.88,1.47,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;6.15,1.07,;6.92,2.41,;6.15,3.74,;4.61,3.74,;3.84,2.41,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccccc1)Nc1cccc(Cl)c1 |r,wU:19.23,6.17,3.2,wD:17.19,3.32,9.10,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-.32,.72,;-.75,-.76,;-2.25,-1.12,;-3.31,-0,;-2.88,1.47,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;6.15,1.07,;6.92,2.41,;6.15,3.74,;4.61,3.74,;3.84,2.41,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccccc1)Nc1cccc(Cl)c1 |r,wU:19.23,3.2,9.10,wD:17.19,3.32,6.17,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-2.88,1.47,;-3.31,-0,;-2.25,-1.12,;-.75,-.76,;-.32,.72,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;6.15,1.07,;6.92,2.41,;6.15,3.74,;4.61,3.74,;3.84,2.41,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1ccccc1)Nc1cccc(Cl)c1 |r,wU:19.23,3.2,wD:17.19,3.32,6.17,9.10,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-2.88,1.47,;-3.31,-0,;-2.25,-1.12,;-.75,-.76,;-.32,.72,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;6.15,1.07,;6.92,2.41,;6.15,3.74,;4.61,3.74,;3.84,2.41,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1cccnc1)Nc1cccc(Cl)c1 |r,wU:19.23,6.17,3.2,9.10,wD:17.19,3.32,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-.32,.72,;-.75,-.76,;-2.25,-1.12,;-3.31,-0,;-2.88,1.47,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;3.84,2.41,;4.61,3.74,;6.15,3.74,;6.92,2.41,;6.15,1.07,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1cccnc1)Nc1cccc(Cl)c1 |r,wU:19.23,6.17,3.2,wD:17.19,3.32,9.10,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-.32,.72,;-.75,-.76,;-2.25,-1.12,;-3.31,-0,;-2.88,1.47,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;3.84,2.41,;4.61,3.74,;6.15,3.74,;6.92,2.41,;6.15,1.07,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1cccnc1)Nc1cccc(Cl)c1 |r,wU:19.23,3.2,9.10,wD:17.19,3.32,6.17,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-2.88,1.47,;-3.31,-0,;-2.25,-1.12,;-.75,-.76,;-.32,.72,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;3.84,2.41,;4.61,3.74,;6.15,3.74,;6.92,2.41,;6.15,1.07,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)[C@H]1C[C@@H]1COc1cccnc1)Nc1cccc(Cl)c1 |r,wU:19.23,3.2,wD:17.19,3.32,6.17,9.10,(1.24,1.32,;.08,2.33,;.38,3.84,;-1.38,1.84,;-2.88,1.47,;-3.31,-0,;-2.25,-1.12,;-.75,-.76,;-.32,.72,;-1.34,-2.36,;-2.25,-3.61,;-3.71,-3.13,;-5.05,-3.9,;-6.38,-3.13,;-6.38,-1.59,;-5.05,-.82,;-3.71,-1.59,;.2,-2.36,;1.53,-3.13,;1.53,-1.59,;2.3,-.26,;3.84,-.26,;4.61,1.07,;3.84,2.41,;4.61,3.74,;6.15,3.74,;6.92,2.41,;6.15,1.07,;-2.38,3.01,;-3.89,2.73,;-4.89,3.9,;-6.4,3.63,;-6.92,2.18,;-5.92,1,;-6.69,-.33,;-4.41,1.28,)|
OC(=O)C1(CCC2(CC1)c1ccccc1-c1ccccc21)Nc1cccc(Br)c1
OC(=O)C1(CCC2(CC1)c1ccccc1-c1ccccc21)Nc1cccc(Cl)c1
OC(=O)[C@]1(CC[C@]2(CCCc3ccccc23)CC1)Nc1cccc(Br)c1 |r,wU:6.15,3.2,wD:3.20,(3.33,1.93,;2,2.69,;2,4.23,;.67,1.93,;2,1.16,;2,-.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;2,-3.47,;3.33,-4.23,;4.67,-3.47,;4.67,-1.93,;3.33,-1.15,;2,-1.93,;-.67,-.38,;-.67,1.16,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,.38,)|
OC(=O)[C@]1(CC[C@]2(CCCc3ccccc23)CC1)Nc1cc(Cl)cc(Cl)c1 |r,wU:6.15,3.2,wD:3.20,(4,1.93,;2.67,2.69,;2.67,4.23,;1.33,1.93,;2.67,1.16,;2.67,-.38,;1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;2.67,-3.47,;4,-4.23,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;2.67,-1.93,;,-.38,;,1.16,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-2.67,-1.93,;-4,.38,;-4,1.93,;-5.33,2.7,;-2.67,2.69,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)OCC=C)Nc1cccc(Br)c1 |r,wU:6.17,3.2,wD:3.23,(3.88,2.25,;2.47,2.87,;2.31,4.4,;1.22,1.97,;2.63,1.34,;2.79,-.19,;1.55,-1.1,;.14,-.47,;-.02,1.06,;.4,-2.13,;1.03,-3.53,;2.56,-3.37,;3.7,-4.4,;5.17,-3.93,;5.49,-2.42,;4.34,-1.39,;2.88,-1.87,;-1.11,-1.81,;-2.14,-2.95,;-3.64,-2.63,;-4.67,-3.78,;-.18,2.59,;-1.43,1.69,;-1.27,.16,;-2.51,-.75,;-3.92,-.12,;-4.08,1.41,;-5.49,2.04,;-2.84,2.31,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)OCC=C)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.23,(3.88,2.25,;2.47,2.87,;2.31,4.4,;1.22,1.97,;2.63,1.34,;2.79,-.19,;1.55,-1.1,;.14,-.47,;-.02,1.06,;.4,-2.13,;1.03,-3.53,;2.56,-3.37,;3.7,-4.4,;5.17,-3.93,;5.49,-2.42,;4.34,-1.39,;2.88,-1.87,;-1.11,-1.81,;-2.14,-2.95,;-3.64,-2.63,;-4.67,-3.78,;-.18,2.59,;-1.43,1.69,;-1.27,.16,;-2.51,-.75,;-3.92,-.12,;-4.08,1.41,;-5.49,2.04,;-2.84,2.31,)|
CC1Cc2c(c(C)ccc2C)C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(-1.11,-1.81,;.4,-2.13,;1.03,-3.53,;2.56,-3.37,;2.88,-1.87,;4.34,-1.39,;4.66,.12,;5.49,-2.42,;5.17,-3.93,;3.7,-4.4,;3.38,-5.91,;1.55,-1.1,;2.79,-.19,;2.63,1.34,;1.22,1.97,;-.02,1.06,;.14,-.47,;-.18,2.59,;-1.43,1.69,;-1.27,.16,;-2.51,-.75,;-3.92,-.12,;-4.08,1.41,;-5.49,2.04,;-2.84,2.31,;2.47,2.87,;3.88,2.25,;2.31,4.4,)|
CC1=Cc2cc(Cl)ccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |t:1,(-1.11,-1.81,;.4,-2.13,;1.03,-3.53,;2.56,-3.37,;3.7,-4.4,;5.17,-3.93,;6.31,-4.96,;5.49,-2.42,;4.34,-1.39,;2.88,-1.87,;1.55,-1.1,;2.79,-.19,;2.63,1.34,;1.22,1.97,;-.02,1.06,;.14,-.47,;-.18,2.59,;-1.43,1.69,;-1.27,.16,;-2.51,-.75,;-3.92,-.12,;-4.08,1.41,;-5.49,2.04,;-2.84,2.31,;2.47,2.87,;3.88,2.25,;2.31,4.4,)|
CC1=Cc2cccc(C)c2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |t:1,(2.9,-2.65,;1.36,-2.65,;.45,-3.9,;-1.01,-3.42,;-2.34,-4.19,;-3.68,-3.42,;-3.68,-1.88,;-2.34,-1.11,;-2.34,.43,;-1.01,-1.88,;.45,-1.41,;1.96,-1.09,;2.44,.38,;1.41,1.52,;-.1,1.2,;-.58,-.26,;.64,2.86,;-.9,2.86,;-1.67,4.19,;-3.21,4.19,;-3.98,2.86,;-3.21,1.52,;-3.98,.19,;-1.67,1.52,;2.89,1.92,;3.98,.83,;3.29,3.41,)|
COc1ccc2CC(Cc3ccccc3)[C@]3(CC[C@@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:15.34,18.22,wD:18.31,(-6.16,-.67,;-4.83,.1,;-3.49,-.67,;-3.49,-2.21,;-2.16,-2.98,;-.83,-2.21,;.64,-2.69,;1.54,-1.44,;3.08,-1.44,;3.85,-2.78,;3.08,-4.11,;3.85,-5.44,;5.39,-5.44,;6.16,-4.11,;5.39,-2.78,;.64,-.2,;2.12,.2,;2.52,1.69,;1.43,2.78,;-.05,2.38,;-.45,.89,;.66,4.11,;-.88,4.11,;-1.65,5.44,;-3.19,5.44,;-3.96,4.11,;-3.19,2.78,;-3.96,1.44,;-1.65,2.78,;2.92,3.18,;4.01,2.09,;3.32,4.66,;-.83,-.67,;-2.16,.1,)|
COc1ccc2CC(Cc3ccccc3)[C@]3(CC[C@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:15.34,18.31,wD:18.22,(-6.16,-.67,;-4.83,.1,;-3.49,-.67,;-3.49,-2.21,;-2.16,-2.98,;-.83,-2.21,;.64,-2.69,;1.54,-1.44,;3.08,-1.44,;3.85,-2.78,;3.08,-4.11,;3.85,-5.44,;5.39,-5.44,;6.16,-4.11,;5.39,-2.78,;.64,-.2,;2.12,.2,;2.52,1.69,;1.43,2.78,;-.05,2.38,;-.45,.89,;.66,4.11,;-.88,4.11,;-1.65,5.44,;-3.19,5.44,;-3.96,4.11,;-3.19,2.78,;-3.96,1.44,;-1.65,2.78,;2.92,3.18,;4.01,2.09,;3.32,4.66,;-.83,-.67,;-2.16,.1,)|
COc1ccc2CC(C)(C)[C@@]3(CC[C@](CC3)(Nc3cccc(Br)c3)C(O)=O)c2c1 |r,wU:10.28,13.16,wD:13.25,(-5.09,-1.9,;-3.75,-1.13,;-2.42,-1.9,;-2.42,-3.44,;-1.09,-4.21,;.25,-3.44,;1.71,-3.92,;2.62,-2.67,;3.95,-1.9,;3.95,-3.44,;1.71,-1.43,;.62,-.34,;1.02,1.15,;2.51,1.55,;3.6,.46,;3.2,-1.03,;1.74,2.88,;.2,2.88,;-.57,4.21,;-2.11,4.21,;-2.88,2.88,;-2.11,1.55,;-2.88,.21,;-.57,1.55,;4,1.95,;5.09,.86,;4.4,3.43,;.25,-1.9,;-1.09,-1.13,)|
COc1ccc2C=C(Br)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:12.24,wD:9.8,12.15,t:6,(-5.09,-1.9,;-3.75,-1.13,;-2.42,-1.9,;-2.42,-3.44,;-1.09,-4.21,;.25,-3.44,;1.71,-3.92,;2.62,-2.67,;4.16,-2.67,;1.71,-1.43,;3.2,-1.03,;3.6,.46,;2.51,1.55,;1.02,1.15,;.62,-.34,;1.74,2.88,;.2,2.88,;-.57,4.21,;-2.11,4.21,;-2.88,2.88,;-2.11,1.55,;-2.88,.21,;-.57,1.55,;4,1.95,;5.09,.86,;4.4,3.43,;.25,-1.9,;-1.09,-1.13,)|
COc1ccc2c(C=C(Br)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1 |r,wU:13.26,wD:10.9,13.17,t:7,(-5.14,-3.42,;-3.81,-4.19,;-2.48,-3.42,;-2.48,-1.88,;-1.14,-1.11,;.19,-1.88,;.19,-3.42,;1.66,-3.9,;2.56,-2.65,;4.1,-2.65,;1.66,-1.41,;3.16,-1.09,;3.64,.38,;2.61,1.52,;1.1,1.2,;.62,-.26,;1.84,2.86,;.3,2.86,;-.47,4.19,;-2.01,4.19,;-2.78,2.86,;-2.01,1.52,;-2.78,.19,;-.47,1.52,;4.11,1.84,;5.14,.7,;4.59,3.31,;-1.14,-4.19,)|
CC(=O)c1ccc2C=C(Br)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:13.25,wD:10.9,13.16,t:7,(-3.81,.43,;-3.81,-1.11,;-5.14,-1.88,;-2.48,-1.88,;-2.48,-3.42,;-1.14,-4.19,;.19,-3.42,;1.66,-3.9,;2.56,-2.65,;4.1,-2.65,;1.66,-1.41,;3.16,-1.09,;3.64,.38,;2.61,1.52,;1.1,1.2,;.62,-.26,;1.84,2.86,;.3,2.86,;-.47,4.19,;-2.01,4.19,;-2.78,2.86,;-2.01,1.52,;-2.78,.19,;-.47,1.52,;4.11,1.84,;5.14,.7,;4.59,3.31,;.19,-1.88,;-1.14,-1.11,)|
CC(O)c1ccc2C=C(Br)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:13.25,wD:10.9,13.16,t:7,(-3.81,.43,;-3.81,-1.11,;-5.14,-1.88,;-2.48,-1.88,;-2.48,-3.42,;-1.14,-4.19,;.19,-3.42,;1.66,-3.9,;2.56,-2.65,;4.1,-2.65,;1.66,-1.41,;3.16,-1.09,;3.64,.38,;2.61,1.52,;1.1,1.2,;.62,-.26,;1.84,2.86,;.3,2.86,;-.47,4.19,;-2.01,4.19,;-2.78,2.86,;-2.01,1.52,;-2.78,.19,;-.47,1.52,;4.11,1.84,;5.14,.7,;4.59,3.31,;.19,-1.88,;-1.14,-1.11,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccc(Cl)cc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.21,c:11,(4.48,.7,;3.45,1.84,;3.92,3.31,;1.94,1.52,;2.97,.38,;2.49,-1.09,;.99,-1.41,;-.04,-.26,;.43,1.2,;1.89,-2.65,;3.43,-2.65,;.99,-3.9,;-.48,-3.42,;-1.81,-4.19,;-3.14,-3.42,;-3.14,-1.88,;-4.48,-1.11,;-1.81,-1.11,;-.48,-1.88,;1.17,2.86,;-.37,2.86,;-1.14,4.19,;-2.68,4.19,;-3.45,2.86,;-2.68,1.52,;-3.45,.19,;-1.14,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1cc(Cl)ccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.21,c:11,(4.48,.7,;3.45,1.84,;3.92,3.31,;1.94,1.52,;2.97,.38,;2.49,-1.09,;.99,-1.41,;-.04,-.26,;.43,1.2,;1.89,-2.65,;3.43,-2.65,;.99,-3.9,;-.48,-3.42,;-1.81,-4.19,;-3.14,-3.42,;-4.48,-4.19,;-3.14,-1.88,;-1.81,-1.11,;-.48,-1.88,;1.17,2.86,;-.37,2.86,;-1.14,4.19,;-2.68,4.19,;-3.45,2.86,;-2.68,1.52,;-3.45,.19,;-1.14,1.52,)|
COc1cc2C=C(Br)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2cc1OC |r,wU:11.23,wD:8.7,11.14,t:5,(-5.81,-3.42,;-4.48,-4.19,;-3.14,-3.42,;-1.81,-4.19,;-.48,-3.42,;.99,-3.9,;1.89,-2.65,;3.43,-2.65,;.99,-1.41,;2.49,-1.09,;2.97,.38,;1.94,1.52,;.43,1.2,;-.04,-.26,;1.17,2.86,;-.37,2.86,;-1.14,4.19,;-2.68,4.19,;-3.45,2.86,;-2.68,1.52,;-3.45,.19,;-1.14,1.52,;3.45,1.84,;4.48,.7,;3.92,3.31,;-.48,-1.88,;-1.81,-1.11,;-3.14,-1.88,;-4.48,-1.11,;-5.81,-1.88,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1c2cccc1Cl)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.21,c:11,(4.48,.7,;3.45,1.84,;3.92,3.31,;1.94,1.52,;2.97,.38,;2.49,-1.09,;.99,-1.41,;-.04,-.26,;.43,1.2,;1.89,-2.65,;3.43,-2.65,;.99,-3.9,;-.48,-3.42,;-.48,-1.88,;-1.81,-1.11,;-3.14,-1.88,;-3.14,-3.42,;-1.81,-4.19,;-1.81,-5.73,;1.17,2.86,;-.37,2.86,;-1.14,4.19,;-2.68,4.19,;-3.45,2.86,;-2.68,1.52,;-3.45,.19,;-1.14,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1cc(F)ccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.21,c:11,(4.48,.7,;3.45,1.84,;3.92,3.31,;1.94,1.52,;2.97,.38,;2.49,-1.09,;.99,-1.41,;-.04,-.26,;.43,1.2,;1.89,-2.65,;3.43,-2.65,;.99,-3.9,;-.48,-3.42,;-1.81,-4.19,;-3.14,-3.42,;-4.48,-4.19,;-3.14,-1.88,;-1.81,-1.11,;-.48,-1.88,;1.17,2.86,;-.37,2.86,;-1.14,4.19,;-2.68,4.19,;-3.45,2.86,;-2.68,1.52,;-3.45,.19,;-1.14,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Br)=Cc1ccc(F)cc21)Nc1cccc(Cl)c1 |r,wU:6.19,3.2,wD:3.21,c:11,(4.5,.83,;3.41,1.92,;3.81,3.41,;1.92,1.52,;2.95,.38,;2.48,-1.09,;.97,-1.41,;-.06,-.26,;.41,1.2,;1.87,-2.65,;3.41,-2.65,;.97,-3.9,;-.5,-3.42,;-1.83,-4.19,;-3.16,-3.42,;-3.16,-1.88,;-4.5,-1.11,;-1.83,-1.11,;-.5,-1.88,;1.15,2.86,;-.39,2.86,;-1.16,4.19,;-2.7,4.19,;-3.47,2.86,;-2.7,1.52,;-3.47,.19,;-1.16,1.52,)|
Cc1cc2C=C(Br)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2cc1C |r,wU:7.25,10.22,wD:10.13,t:4,(-4.5,-4.19,;-3.16,-3.42,;-1.83,-4.19,;-.5,-3.42,;.97,-3.9,;1.87,-2.65,;3.41,-2.65,;.97,-1.41,;2.48,-1.09,;2.95,.38,;1.92,1.52,;.41,1.2,;-.06,-.26,;1.15,2.86,;-.39,2.86,;-1.16,4.19,;-2.7,4.19,;-3.47,2.86,;-2.7,1.52,;-3.47,.19,;-1.16,1.52,;3.41,1.92,;4.5,.83,;3.81,3.41,;-.5,-1.88,;-1.83,-1.11,;-3.16,-1.88,;-4.5,-1.11,)|
Cc1cccc2c1C=C(Br)[C@]21CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:10.11,13.27,wD:13.18,t:8,(-1.83,-5.73,;-1.83,-4.19,;-3.16,-3.42,;-3.16,-1.88,;-1.83,-1.11,;-.5,-1.88,;-.5,-3.42,;.97,-3.9,;1.87,-2.65,;3.41,-2.65,;.97,-1.41,;2.48,-1.09,;2.95,.38,;1.92,1.52,;.41,1.2,;-.06,-.26,;1.15,2.86,;-.39,2.86,;-1.16,4.19,;-2.7,4.19,;-3.47,2.86,;-2.7,1.52,;-3.47,.19,;-1.16,1.52,;3.41,1.92,;4.5,.83,;3.81,3.41,)|
CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:9.9,12.26,wD:12.17,t:1,(3.41,-2.65,;1.87,-2.65,;.97,-3.9,;-.5,-3.42,;-1.83,-4.19,;-3.16,-3.42,;-3.16,-1.88,;-1.83,-1.11,;-.5,-1.88,;.97,-1.41,;2.48,-1.09,;2.95,.38,;1.92,1.52,;.41,1.2,;-.06,-.26,;1.15,2.86,;-.39,2.86,;-1.16,4.19,;-2.7,4.19,;-3.47,2.86,;-2.7,1.52,;-3.47,.19,;-1.16,1.52,;3.41,1.92,;4.5,.83,;3.81,3.41,)|
CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:9.9,12.26,wD:12.17,t:1,(3.41,-2.65,;1.87,-2.65,;.97,-3.9,;-.5,-3.42,;-1.83,-4.19,;-3.16,-3.42,;-3.16,-1.88,;-1.83,-1.11,;-.5,-1.88,;.97,-1.41,;2.48,-1.09,;2.95,.38,;1.92,1.52,;.41,1.2,;-.06,-.26,;1.15,2.86,;-.39,2.86,;-1.16,4.19,;-2.7,4.19,;-3.47,2.86,;-2.7,1.52,;-3.47,.19,;-1.16,1.52,;3.41,1.92,;4.5,.83,;3.81,3.41,)|
C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:9.9,12.26,wD:1.0,12.17,(2.9,-2.65,;1.36,-2.65,;.45,-3.9,;-1.01,-3.42,;-2.34,-4.19,;-3.68,-3.42,;-3.68,-1.88,;-2.34,-1.11,;-1.01,-1.88,;.45,-1.41,;1.96,-1.09,;2.44,.38,;1.41,1.52,;-.1,1.2,;-.58,-.26,;.64,2.86,;-.9,2.86,;-1.67,4.19,;-3.21,4.19,;-3.98,2.86,;-3.21,1.52,;-3.98,.19,;-1.67,1.52,;2.89,1.92,;3.98,.83,;3.29,3.41,)|
C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:9.9,1.0,12.26,wD:12.17,(2.9,-2.65,;1.36,-2.65,;.45,-3.9,;-1.01,-3.42,;-2.34,-4.19,;-3.68,-3.42,;-3.68,-1.88,;-2.34,-1.11,;-1.01,-1.88,;.45,-1.41,;1.96,-1.09,;2.44,.38,;1.41,1.52,;-.1,1.2,;-.58,-.26,;.64,2.86,;-.9,2.86,;-1.67,4.19,;-3.21,4.19,;-3.98,2.86,;-3.21,1.52,;-3.98,.19,;-1.67,1.52,;2.89,1.92,;3.98,.83,;3.29,3.41,)|
CCC1=Cc2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:13.18,wD:10.11,13.27,t:2,(3.67,-1.32,;2.9,-2.65,;1.36,-2.65,;.45,-3.9,;-1.01,-3.42,;-2.34,-4.19,;-3.68,-3.42,;-3.68,-1.88,;-2.34,-1.11,;-1.01,-1.88,;.45,-1.41,;1.96,-1.09,;2.44,.38,;1.41,1.52,;-.1,1.2,;-.58,-.26,;.64,2.86,;-.9,2.86,;-1.67,4.19,;-3.21,4.19,;-3.98,2.86,;-3.21,1.52,;-3.98,.19,;-1.67,1.52,;2.89,1.92,;3.98,.83,;3.29,3.41,)|
CCC1Cc2ccccc2C11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:13.18,wD:13.27,(3.67,-1.32,;2.9,-2.65,;1.36,-2.65,;.45,-3.9,;-1.01,-3.42,;-2.34,-4.19,;-3.68,-3.42,;-3.68,-1.88,;-2.34,-1.11,;-1.01,-1.88,;.45,-1.41,;1.96,-1.09,;2.44,.38,;1.41,1.52,;-.1,1.2,;-.58,-.26,;.64,2.86,;-.9,2.86,;-1.67,4.19,;-3.21,4.19,;-3.98,2.86,;-3.21,1.52,;-3.98,.19,;-1.67,1.52,;2.89,1.92,;3.98,.83,;3.29,3.41,)|
CCCC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:11.11,14.28,wD:14.19,(4.67,-1.34,;3.13,-1.34,;2.36,-2.67,;.82,-2.67,;-.08,-3.92,;-1.55,-3.44,;-2.88,-4.21,;-4.21,-3.44,;-4.21,-1.9,;-2.88,-1.13,;-1.55,-1.9,;-.08,-1.43,;1.41,-1.03,;1.8,.46,;.72,1.55,;-.77,1.15,;-1.17,-.34,;-.05,2.88,;-1.59,2.88,;-2.36,4.21,;-3.9,4.21,;-4.67,2.88,;-3.9,1.55,;-4.67,.21,;-2.36,1.55,;2.2,1.95,;3.29,.86,;2.6,3.43,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)C(CCCc1ccccc1)=Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:3.29,wD:6.9,3.2,c:20,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-2.67,;5.44,-2.67,;6.21,-1.34,;5.44,-.01,;3.9,-.01,;3.13,-1.34,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@@]1(CCC2(CC1)[C@@H](CCCc1ccccc1)Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:9.10,3.2,wD:3.29,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.72,-2.67,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;3.9,-.01,;5.44,-.01,;6.21,1.33,;5.44,2.66,;3.9,2.66,;3.13,1.33,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@@]1(CCC2(CC1)[C@H](CCCc1ccccc1)Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:3.2,wD:9.10,3.29,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.72,-2.67,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;3.9,-.01,;5.44,-.01,;6.21,1.33,;5.44,2.66,;3.9,2.66,;3.13,1.33,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)\C=C\CC1CCCC1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.28,(1.9,.86,;.81,1.95,;1.21,3.43,;-.68,1.55,;.41,.46,;.01,-1.03,;-1.47,-1.43,;-2.56,-.34,;-2.16,1.15,;-.57,-2.67,;-1.47,-3.92,;-2.94,-3.44,;-4.27,-4.21,;-5.61,-3.44,;-5.61,-1.9,;-4.27,-1.13,;-2.94,-1.9,;.97,-2.67,;1.74,-4.01,;3.28,-4.01,;4.05,-2.67,;5.59,-2.67,;6.07,-1.21,;4.82,-.3,;3.58,-1.21,;-1.45,2.88,;-2.99,2.88,;-3.76,4.21,;-5.3,4.21,;-6.07,2.88,;-5.3,1.55,;-6.07,.21,;-3.76,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCC1CCCC1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.26,3.2,wD:3.28,(1.9,.86,;.81,1.95,;1.21,3.43,;-.68,1.55,;.41,.46,;.01,-1.03,;-1.47,-1.43,;-2.56,-.34,;-2.16,1.15,;-.57,-2.67,;.97,-2.67,;1.74,-4.01,;3.28,-4.01,;4.05,-2.67,;5.59,-2.67,;6.07,-1.21,;4.82,-.3,;3.58,-1.21,;-1.47,-3.92,;-2.94,-3.44,;-4.27,-4.21,;-5.61,-3.44,;-5.61,-1.9,;-4.27,-1.13,;-2.94,-1.9,;-1.45,2.88,;-2.99,2.88,;-3.76,4.21,;-5.3,4.21,;-6.07,2.88,;-5.3,1.55,;-6.07,.21,;-3.76,1.55,)|
CCOC\C=C\C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.31,wD:14.15,17.22,t:6,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,)|
COc1ccc(CCCC2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1 |r,wU:20.34,wD:17.18,20.25,t:9,(5.44,2.66,;6.21,1.33,;5.44,-.01,;6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,;3.13,-1.34,;3.9,-.01,)|
CCOCCCC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:14.14,17.31,wD:17.22,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCc1ccc(Cl)cc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:21,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-2.67,;5.44,-2.67,;6.21,-1.34,;5.44,-.01,;6.21,1.33,;3.9,-.01,;3.13,-1.34,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(\C=C\c1ccc(cc1)-c1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.35,c:26,(-.56,.86,;-1.65,1.95,;-1.25,3.43,;-3.13,1.55,;-2.05,.46,;-2.44,-1.03,;-3.93,-1.43,;-5.02,-.34,;-4.62,1.15,;-3.03,-2.67,;-1.49,-2.67,;-.72,-1.34,;.82,-1.34,;1.59,-2.67,;3.13,-2.67,;3.9,-1.34,;3.13,-.01,;1.59,-.01,;5.44,-1.34,;6.21,-2.67,;7.75,-2.67,;8.52,-1.34,;7.75,-.01,;6.21,-.01,;-3.93,-3.92,;-5.4,-3.44,;-6.73,-4.21,;-8.06,-3.44,;-8.06,-1.9,;-6.73,-1.13,;-5.4,-1.9,;-3.9,2.88,;-5.44,2.88,;-6.21,4.21,;-7.75,4.21,;-8.52,2.88,;-7.75,1.55,;-8.52,.21,;-6.21,1.55,)|
C\C=C\C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:14.28,wD:11.12,14.19,t:3,(4.67,-4.01,;3.13,-4.01,;2.36,-2.67,;.82,-2.67,;-.08,-3.92,;-1.55,-3.44,;-2.88,-4.21,;-4.21,-3.44,;-4.21,-1.9,;-2.88,-1.13,;-1.55,-1.9,;-.08,-1.43,;1.41,-1.03,;1.8,.46,;.72,1.55,;-.77,1.15,;-1.17,-.34,;-.05,2.88,;-1.59,2.88,;-2.36,4.21,;-3.9,4.21,;-4.67,2.88,;-3.9,1.55,;-4.67,.21,;-2.36,1.55,;2.2,1.95,;3.29,.86,;2.6,3.43,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCCOc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
COc1ccc(CCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1 |r,wU:17.17,20.34,wD:20.25,(5.44,2.66,;6.21,1.33,;5.44,-.01,;6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,;3.13,-1.34,;3.9,-.01,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCc1ccc(Cl)cc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-2.67,;5.44,-2.67,;6.21,-1.34,;5.44,-.01,;6.21,1.33,;3.9,-.01,;3.13,-1.34,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCc1cccc3[nH]ccc13)Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:6.30,3.2,wD:3.32,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-5.34,;5.44,-5.34,;6.21,-4.01,;5.44,-2.67,;5.92,-1.21,;4.67,-.3,;3.43,-1.21,;3.9,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCc1cccnc1)Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:6.26,3.2,wD:3.28,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-5.34,;5.44,-5.34,;6.21,-4.01,;5.44,-2.67,;3.9,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C#CCOc1ccccc1)Nc1cccc(Br)c1 |r,wU:3.30,wD:6.9,3.2,c:10,(.29,.83,;-.8,1.92,;-.4,3.41,;-2.29,1.52,;-1.26,.38,;-1.73,-1.09,;-3.24,-1.41,;-4.27,-.26,;-3.79,1.2,;-2.33,-2.65,;-3.24,-3.9,;-4.7,-3.42,;-6.04,-4.19,;-7.37,-3.42,;-7.37,-1.88,;-6.04,-1.11,;-4.7,-1.88,;-.79,-2.65,;.75,-2.65,;2.29,-2.65,;3.06,-1.32,;4.6,-1.32,;5.37,-2.65,;6.91,-2.65,;7.68,-1.32,;6.91,.02,;5.37,.02,;-3.06,2.86,;-4.6,2.86,;-5.37,4.19,;-6.91,4.19,;-7.68,2.86,;-6.91,1.52,;-7.68,.19,;-5.37,1.52,)|
CCO\C=C\C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.30,wD:13.14,16.21,t:5,(5.75,.02,;4.21,.02,;3.44,-1.32,;1.9,-1.32,;1.13,-2.65,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCn1ccc(=O)cc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(1.83,.83,;.74,1.92,;1.14,3.41,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.79,-2.65,;.75,-2.65,;1.52,-3.98,;3.06,-3.98,;3.83,-2.65,;5.37,-2.65,;6.14,-1.32,;5.37,.02,;6.14,1.35,;3.83,.02,;3.06,-1.32,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.27,c:18,(2.98,2.06,;1.9,3.15,;2.29,4.64,;.41,2.75,;1.44,1.61,;.96,.15,;-.54,-.17,;-1.57,.97,;-1.1,2.43,;.36,-1.42,;1.9,-1.42,;2.67,-2.75,;1.9,-4.09,;2.67,-5.42,;4.21,-5.42,;4.98,-4.09,;4.21,-2.75,;-.54,-2.67,;-2.01,-2.19,;-3.34,-2.96,;-4.68,-2.19,;-4.68,-.65,;-3.34,.12,;-2.01,-.65,;-.36,4.09,;-1.9,4.09,;-2.67,5.42,;-4.21,5.42,;-4.98,4.09,;-4.21,2.75,;-4.98,1.42,;-2.67,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.25,3.2,wD:3.27,(2.98,2.06,;1.9,3.15,;2.29,4.64,;.41,2.75,;1.44,1.61,;.96,.15,;-.54,-.17,;-1.57,.97,;-1.1,2.43,;.36,-1.42,;1.9,-1.42,;2.67,-2.75,;1.9,-4.09,;2.67,-5.42,;4.21,-5.42,;4.98,-4.09,;4.21,-2.75,;-.54,-2.67,;-2.01,-2.19,;-3.34,-2.96,;-4.68,-2.19,;-4.68,-.65,;-3.34,.12,;-2.01,-.65,;-.36,4.09,;-1.9,4.09,;-2.67,5.42,;-4.21,5.42,;-4.98,4.09,;-4.21,2.75,;-4.98,1.42,;-2.67,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C#Cc1ccccn1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.28,c:10,(1.44,.83,;.36,1.92,;.75,3.41,;-1.13,1.52,;-.1,.38,;-.58,-1.09,;-2.08,-1.41,;-3.11,-.26,;-2.64,1.2,;-1.18,-2.65,;-2.08,-3.9,;-3.55,-3.42,;-4.88,-4.19,;-6.22,-3.42,;-6.22,-1.88,;-4.88,-1.11,;-3.55,-1.88,;.36,-2.65,;1.9,-2.65,;3.44,-2.65,;4.21,-3.98,;5.75,-3.98,;6.52,-2.65,;5.75,-1.32,;4.21,-1.32,;-1.9,2.86,;-3.44,2.86,;-4.21,4.19,;-5.75,4.19,;-6.52,2.86,;-5.75,1.52,;-6.52,.19,;-4.21,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:3.29,6.9,c:20,(1.8,.62,;.8,1.79,;1.31,3.25,;-.71,1.51,;.29,.34,;-.22,-1.11,;-1.74,-1.39,;-2.74,-.22,;-2.23,1.23,;-.83,-2.64,;.71,-2.64,;1.48,-3.97,;3.02,-3.97,;3.79,-2.64,;3.02,-1.3,;3.79,.03,;5.33,.03,;6.1,-1.3,;5.33,-2.64,;-1.74,-3.89,;-3.2,-3.41,;-4.54,-4.18,;-5.87,-3.41,;-5.87,-1.87,;-4.54,-1.1,;-3.2,-1.87,;-1.48,2.85,;-3.02,2.85,;-3.79,4.18,;-5.33,4.18,;-6.1,2.85,;-5.33,1.51,;-6.07,.16,;-3.79,1.51,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C#CCOc1ccccc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:3.30,6.9,c:10,(.26,.62,;-.74,1.79,;-.23,3.25,;-2.25,1.51,;-1.25,.34,;-1.76,-1.11,;-3.27,-1.39,;-4.28,-.22,;-3.77,1.23,;-2.37,-2.64,;-3.27,-3.89,;-4.74,-3.41,;-6.07,-4.18,;-7.41,-3.41,;-7.41,-1.87,;-6.07,-1.1,;-4.74,-1.87,;-.83,-2.64,;.71,-2.64,;2.25,-2.64,;3.02,-1.31,;4.56,-1.31,;5.33,-2.64,;6.87,-2.64,;7.64,-1.31,;6.87,.03,;5.33,.03,;-3.02,2.85,;-4.56,2.85,;-5.33,4.18,;-6.87,4.18,;-7.64,2.85,;-6.87,1.51,;-7.6,.16,;-5.33,1.51,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C#Cc1ccncc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:3.28,6.9,c:10,(1.42,.62,;.42,1.79,;.93,3.25,;-1.1,1.51,;-.09,.34,;-.61,-1.11,;-2.12,-1.39,;-3.12,-.22,;-2.61,1.23,;-1.21,-2.64,;-2.12,-3.89,;-3.58,-3.41,;-4.92,-4.18,;-6.25,-3.41,;-6.25,-1.87,;-4.92,-1.1,;-3.58,-1.87,;.33,-2.64,;1.87,-2.64,;3.41,-2.64,;4.18,-3.97,;5.72,-3.97,;6.49,-2.64,;5.72,-1.31,;4.18,-1.31,;-1.87,2.85,;-3.41,2.85,;-4.18,4.18,;-5.72,4.18,;-6.49,2.85,;-5.72,1.51,;-6.45,.16,;-4.18,1.51,)|
COc1cc(OCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)ccn1 |r,wU:19.33,16.16,wD:19.24,(7.26,.03,;6.49,-1.31,;4.95,-1.31,;4.18,-2.64,;2.64,-2.64,;1.87,-3.97,;.33,-3.97,;-.44,-2.64,;-1.98,-2.64,;-2.89,-3.89,;-4.35,-3.41,;-5.69,-4.18,;-7.02,-3.41,;-7.02,-1.87,;-5.69,-1.1,;-4.35,-1.87,;-2.89,-1.39,;-1.38,-1.11,;-.86,.34,;-1.87,1.51,;-3.38,1.23,;-3.89,-.22,;-2.64,2.85,;-4.18,2.85,;-4.95,4.18,;-6.49,4.18,;-7.26,2.85,;-6.49,1.51,;-7.22,.16,;-4.95,1.51,;-.35,1.79,;.65,.62,;.16,3.25,;1.87,-1.31,;2.64,.03,;4.18,.03,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCc1ccccn1)Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:3.2,6.26,wD:3.28,(1.8,.62,;.8,1.79,;1.31,3.25,;-.71,1.51,;.29,.34,;-.22,-1.11,;-1.73,-1.39,;-2.74,-.22,;-2.23,1.23,;-.83,-2.64,;.71,-2.64,;1.48,-1.31,;3.02,-1.31,;3.79,.03,;5.33,.03,;6.1,-1.31,;5.33,-2.64,;3.79,-2.64,;-1.73,-3.89,;-3.2,-3.41,;-4.53,-4.18,;-5.87,-3.41,;-5.87,-1.87,;-4.53,-1.1,;-3.2,-1.87,;-1.48,2.85,;-3.02,2.85,;-3.79,4.18,;-5.33,4.18,;-6.1,2.85,;-5.33,1.51,;-6.06,.16,;-3.79,1.51,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)C(CCc1ccccn1)=Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:3.28,wD:3.2,6.9,c:19,(1.8,.62,;.8,1.79,;1.31,3.25,;-.71,1.51,;.29,.34,;-.22,-1.11,;-1.73,-1.39,;-2.74,-.22,;-2.23,1.23,;-.83,-2.64,;.71,-2.64,;1.48,-1.31,;3.02,-1.31,;3.79,.03,;5.33,.03,;6.1,-1.31,;5.33,-2.64,;3.79,-2.64,;-1.73,-3.89,;-3.2,-3.41,;-4.53,-4.18,;-5.87,-3.41,;-5.87,-1.87,;-4.53,-1.1,;-3.2,-1.87,;-1.48,2.85,;-3.02,2.85,;-3.79,4.18,;-5.33,4.18,;-6.1,2.85,;-5.33,1.51,;-6.06,.16,;-3.79,1.51,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.27,wD:3.29,(1.8,.62,;.8,1.79,;1.31,3.25,;-.71,1.51,;.29,.34,;-.22,-1.11,;-1.74,-1.39,;-2.74,-.22,;-2.23,1.23,;-.83,-2.64,;.71,-2.64,;1.48,-3.97,;3.02,-3.97,;3.79,-2.64,;3.02,-1.3,;3.79,.03,;5.33,.03,;6.1,-1.3,;5.33,-2.64,;-1.74,-3.89,;-3.2,-3.41,;-4.54,-4.18,;-5.87,-3.41,;-5.87,-1.87,;-4.54,-1.1,;-3.2,-1.87,;-1.48,2.85,;-3.02,2.85,;-3.79,4.18,;-5.33,4.18,;-6.1,2.85,;-5.33,1.51,;-6.07,.16,;-3.79,1.51,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccnc3ccsc13)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:3.33,6.9,c:24,(.97,.62,;-.03,1.79,;.48,3.25,;-1.55,1.51,;-.55,.34,;-1.06,-1.11,;-2.57,-1.39,;-3.57,-.22,;-3.06,1.23,;-1.67,-2.64,;-.13,-2.64,;.65,-3.97,;2.19,-3.97,;2.96,-2.64,;2.19,-1.3,;2.96,.03,;4.5,.03,;5.27,-1.3,;6.78,-1.62,;6.94,-3.16,;5.53,-3.78,;4.5,-2.64,;-2.57,-3.89,;-4.04,-3.41,;-5.37,-4.18,;-6.7,-3.41,;-6.7,-1.87,;-5.37,-1.1,;-4.04,-1.87,;-2.32,2.85,;-3.86,2.85,;-4.63,4.18,;-6.17,4.18,;-6.94,2.85,;-6.17,1.51,;-6.9,.16,;-4.63,1.51,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C(=O)NCc1ccccc1)Nc1cccc(Cl)c1 |r,wU:4.3,wD:4.31,7.10,c:11,(3.29,1.02,;1.8,.62,;.8,1.79,;1.31,3.25,;-.71,1.51,;.29,.34,;-.22,-1.11,;-1.74,-1.39,;-2.74,-.22,;-2.23,1.23,;-.83,-2.64,;-1.74,-3.89,;-3.2,-3.41,;-4.54,-4.18,;-5.87,-3.41,;-5.87,-1.87,;-4.54,-1.1,;-3.2,-1.87,;.71,-2.64,;1.48,-1.31,;1.48,-3.97,;3.02,-3.97,;3.79,-2.64,;3.02,-1.3,;3.79,.03,;5.33,.03,;6.1,-1.3,;5.33,-2.64,;-1.48,2.85,;-3.02,2.85,;-3.79,4.18,;-5.33,4.18,;-6.1,2.85,;-5.33,1.51,;-6.07,.16,;-3.79,1.51,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C(=O)N(C)Cc1ccccc1)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.32,c:11,(3.24,1.82,;1.75,1.42,;.66,2.51,;1.06,4,;-.82,2.11,;.26,1.02,;-.13,-.47,;-1.62,-.86,;-2.71,.22,;-2.31,1.71,;-.72,-2.11,;-1.62,-3.36,;-3.09,-2.88,;-4.42,-3.65,;-5.75,-2.88,;-5.75,-1.34,;-4.42,-.57,;-3.09,-1.34,;.82,-2.11,;1.59,-.78,;1.59,-3.44,;.82,-4.78,;3.13,-3.44,;3.9,-2.11,;5.44,-2.11,;6.21,-.78,;5.44,.56,;3.9,.56,;3.13,-.78,;-1.59,3.44,;-3.13,3.44,;-3.9,4.78,;-5.44,4.78,;-6.21,3.44,;-5.44,2.11,;-6.21,.78,;-3.9,2.11,)|
Cc1cncn(CCCC2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1=O |r,wU:20.34,wD:17.18,20.25,t:9,(6.98,-1.34,;5.44,-1.34,;4.67,-.01,;3.13,-.01,;2.36,-1.34,;3.13,-2.67,;2.36,-4.01,;.82,-4.01,;.05,-2.67,;-1.49,-2.67,;-2.39,-3.92,;-3.86,-3.44,;-5.19,-4.21,;-6.52,-3.44,;-6.52,-1.9,;-5.19,-1.13,;-3.86,-1.9,;-2.39,-1.43,;-.9,-1.03,;-.51,.46,;-1.59,1.55,;-3.08,1.15,;-3.48,-.34,;-2.36,2.88,;-3.9,2.88,;-4.67,4.21,;-6.21,4.21,;-6.98,2.88,;-6.21,1.55,;-6.98,.21,;-4.67,1.55,;-.11,1.95,;.98,.86,;.29,3.43,;4.67,-2.67,;5.44,-4.01,)|
Cc1cncn(CCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1=O |r,wU:17.17,20.34,wD:20.25,(6.98,-1.34,;5.44,-1.34,;4.67,-.01,;3.13,-.01,;2.36,-1.34,;3.13,-2.67,;2.36,-4.01,;.82,-4.01,;.05,-2.67,;-1.49,-2.67,;-2.39,-3.92,;-3.86,-3.44,;-5.19,-4.21,;-6.52,-3.44,;-6.52,-1.9,;-5.19,-1.13,;-3.86,-1.9,;-2.39,-1.43,;-.9,-1.03,;-.51,.46,;-1.59,1.55,;-3.08,1.15,;-3.48,-.34,;-2.36,2.88,;-3.9,2.88,;-4.67,4.21,;-6.21,4.21,;-6.98,2.88,;-6.21,1.55,;-6.98,.21,;-4.67,1.55,;-.11,1.95,;.98,.86,;.29,3.43,;4.67,-2.67,;5.44,-4.01,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CN(C)Cc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.31,c:22,(3.24,1.82,;1.75,1.42,;.66,2.51,;1.06,4,;-.82,2.11,;.26,1.02,;-.13,-.47,;-1.62,-.86,;-2.71,.22,;-2.31,1.71,;-.72,-2.11,;.82,-2.11,;1.59,-3.44,;.82,-4.78,;3.13,-3.44,;3.9,-2.11,;5.44,-2.11,;6.21,-.78,;5.44,.56,;3.9,.56,;3.13,-.78,;-1.62,-3.36,;-3.09,-2.88,;-4.42,-3.65,;-5.75,-2.88,;-5.75,-1.34,;-4.42,-.57,;-3.09,-1.34,;-1.59,3.44,;-3.13,3.44,;-3.9,4.78,;-5.44,4.78,;-6.21,3.44,;-5.44,2.11,;-6.21,.78,;-3.9,2.11,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1cccc3[nH]ccc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.31,3.2,wD:3.33,(.92,.86,;-.17,1.95,;.23,3.43,;-1.66,1.55,;-.57,.46,;-.97,-1.03,;-2.45,-1.43,;-3.54,-.34,;-3.15,1.15,;-1.55,-2.67,;-.01,-2.67,;.76,-4.01,;2.3,-4.01,;3.07,-2.67,;2.3,-1.34,;3.07,-.01,;4.61,-.01,;5.38,-1.34,;6.89,-1.66,;7.05,-3.19,;5.64,-3.82,;4.61,-2.67,;-2.45,-3.92,;-3.92,-3.44,;-5.25,-4.21,;-6.59,-3.44,;-6.59,-1.9,;-5.25,-1.13,;-3.92,-1.9,;-2.43,2.88,;-3.97,2.88,;-4.74,4.21,;-6.28,4.21,;-7.05,2.88,;-6.28,1.55,;-7.05,.21,;-4.74,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccnc3ccsc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.31,3.2,wD:3.33,(.92,.86,;-.17,1.95,;.23,3.43,;-1.66,1.55,;-.57,.46,;-.97,-1.03,;-2.45,-1.43,;-3.54,-.34,;-3.15,1.15,;-1.55,-2.67,;-.01,-2.67,;.76,-4.01,;2.3,-4.01,;3.07,-2.67,;2.3,-1.34,;3.07,-.01,;4.61,-.01,;5.38,-1.34,;6.89,-1.66,;7.05,-3.19,;5.64,-3.82,;4.61,-2.67,;-2.45,-3.92,;-3.92,-3.44,;-5.25,-4.21,;-6.59,-3.44,;-6.59,-1.9,;-5.25,-1.13,;-3.92,-1.9,;-2.43,2.88,;-3.97,2.88,;-4.74,4.21,;-6.28,4.21,;-7.05,2.88,;-6.28,1.55,;-7.05,.21,;-4.74,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccnc(F)c1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(.98,.86,;-.11,1.95,;.29,3.43,;-1.59,1.55,;-.51,.46,;-.9,-1.03,;-2.39,-1.43,;-3.48,-.34,;-3.08,1.15,;-1.49,-2.67,;.05,-2.67,;.82,-4.01,;2.36,-4.01,;3.13,-2.67,;2.36,-1.34,;3.13,-.01,;4.67,-.01,;5.44,-1.34,;6.98,-1.34,;4.67,-2.67,;-2.39,-3.92,;-3.86,-3.44,;-5.19,-4.21,;-6.52,-3.44,;-6.52,-1.9,;-5.19,-1.13,;-3.86,-1.9,;-2.36,2.88,;-3.9,2.88,;-4.67,4.21,;-6.21,4.21,;-6.98,2.88,;-6.21,1.55,;-6.98,.21,;-4.67,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccncc1F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-2.67,;3.13,-1.34,;3.9,-.01,;5.44,-.01,;6.21,-1.34,;5.44,-2.67,;6.21,-4.01,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
Cc1cnccc1OCCC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.36,wD:18.20,21.27,t:11,(6.21,-4.01,;5.44,-2.67,;6.21,-1.34,;5.44,-.01,;3.9,-.01,;3.13,-1.34,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1ccncc1F)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:21,(1.75,.86,;.66,1.95,;1.06,3.43,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;.82,-2.67,;1.59,-4.01,;3.13,-4.01,;3.9,-2.67,;3.13,-1.34,;3.9,-.01,;5.44,-.01,;6.21,-1.34,;5.44,-2.67,;6.21,-4.01,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCOS(C)(=O)=O)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.27,c:18,(3.63,1.25,;2.14,.86,;1.05,1.95,;1.45,3.43,;-.44,1.55,;.65,.46,;.25,-1.03,;-1.24,-1.43,;-2.33,-.34,;-1.93,1.15,;-.33,-2.67,;1.21,-2.67,;1.98,-4.01,;3.52,-4.01,;4.29,-2.67,;5.83,-2.67,;3.52,-1.34,;5.06,-1.34,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOc1cccc3[nH]ccc13)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.33,c:24,(.92,.86,;-.17,1.95,;.23,3.43,;-1.66,1.55,;-.57,.46,;-.97,-1.03,;-2.45,-1.43,;-3.54,-.34,;-3.15,1.15,;-1.55,-2.67,;-.01,-2.67,;.76,-4.01,;2.3,-4.01,;3.07,-2.67,;2.3,-1.34,;3.07,-.01,;4.61,-.01,;5.38,-1.34,;6.89,-1.66,;7.05,-3.19,;5.64,-3.82,;4.61,-2.67,;-2.45,-3.92,;-3.92,-3.44,;-5.25,-4.21,;-6.59,-3.44,;-6.59,-1.9,;-5.25,-1.13,;-3.92,-1.9,;-2.43,2.88,;-3.97,2.88,;-4.74,4.21,;-6.28,4.21,;-7.05,2.88,;-6.28,1.55,;-7.05,.21,;-4.74,1.55,)|
Cc1cnccc1OCCCOC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:20.21,23.38,wD:23.29,t:13,(2.67,.02,;4.21,.02,;4.98,1.35,;6.52,1.35,;7.29,.02,;6.52,-1.32,;4.98,-1.32,;4.21,-2.65,;2.67,-2.65,;1.9,-1.32,;.36,-1.32,;-.41,-2.65,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.85,-1.41,;-1.35,-1.09,;-.87,.38,;-1.9,1.52,;-3.41,1.2,;-3.88,-.26,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,;-.41,1.92,;.67,.83,;-.02,3.41,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C#CCCOc1ccnc2ccsc12)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.35,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;1.13,-2.65,;2.67,-2.65,;3.44,-1.32,;2.67,.02,;3.44,1.35,;2.67,2.68,;3.44,4.02,;4.98,4.02,;5.75,2.68,;7.26,2.36,;7.42,.83,;6.01,.21,;4.98,1.35,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCN1CCOCC1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.27,3.2,wD:3.29,(1.83,.83,;.74,1.92,;1.14,3.41,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.79,-2.65,;.75,-2.65,;1.52,-3.98,;3.06,-3.98,;3.83,-2.65,;5.37,-2.65,;6.14,-1.32,;5.37,.02,;3.83,.02,;3.06,-1.32,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,)|
COCCCC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,16.30,wD:16.21,(4.21,-1.32,;4.98,-2.65,;4.21,-3.98,;2.67,-3.98,;1.9,-2.65,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;-.54,-1.41,;.96,-1.09,;1.44,.38,;.41,1.52,;-1.1,1.2,;-1.57,-.26,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,;1.9,1.92,;2.98,.83,;2.29,3.41,)|
CN1CCN(CCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)CC1=O |r,wU:16.16,19.33,wD:19.24,(5.37,1.35,;4.6,.02,;3.06,.02,;2.29,-1.32,;3.06,-2.65,;2.29,-3.98,;.75,-3.98,;-.02,-2.65,;-1.56,-2.65,;-2.47,-3.9,;-3.93,-3.42,;-5.27,-4.19,;-6.6,-3.42,;-6.6,-1.88,;-5.27,-1.11,;-3.93,-1.88,;-2.47,-1.41,;-.96,-1.09,;-.49,.38,;-1.52,1.52,;-3.02,1.2,;-3.5,-.26,;-2.29,2.86,;-3.83,2.86,;-4.6,4.19,;-6.14,4.19,;-6.91,2.86,;-6.14,1.52,;-6.91,.19,;-4.6,1.52,;-.03,1.92,;1.06,.83,;.37,3.41,;4.6,-2.65,;5.37,-1.32,;6.91,-1.32,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCc1ccccn1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.26,3.2,wD:3.28,(1.83,.83,;.74,1.92,;1.14,3.41,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.79,-2.65,;.75,-2.65,;1.52,-1.32,;3.06,-1.32,;3.83,.02,;5.37,.02,;6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.26,3.2,wD:3.28,c:19,(1.83,.83,;.74,1.92,;1.14,3.41,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.79,-2.65,;.75,-2.65,;1.52,-1.32,;3.06,-1.32,;3.83,-2.65,;5.37,-2.65,;6.14,-1.32,;5.37,.02,;3.83,.02,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCc1ccccc1)Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:6.26,3.2,wD:3.28,(1.83,.83,;.74,1.92,;1.14,3.41,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.79,-2.65,;.75,-2.65,;1.52,-1.32,;3.06,-1.32,;3.83,-2.65,;5.37,-2.65,;6.14,-1.32,;5.37,.02,;3.83,.02,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,)|
CC1=C(C)[C@]2(CC[C@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |r,wU:7.19,wD:4.3,7.10,c:1,(.98,-4.73,;.51,-3.27,;1.41,-2.02,;2.95,-2.02,;.51,-.78,;2.01,-.46,;2.49,1.01,;1.46,2.15,;-.05,1.83,;-.52,.37,;.55,3.4,;-.99,3.4,;-1.76,4.73,;-3.3,4.73,;-4.07,3.4,;-3.3,2.07,;-4.07,.73,;-1.76,2.07,;2.92,2.63,;4.07,1.6,;3.24,4.14,;-.96,-1.25,;-2.29,-.48,;-3.63,-1.25,;-3.63,-2.79,;-2.29,-3.56,;-.96,-2.79,)|
CC1=C(C)[C@]2(CC[C@@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |r,wU:7.10,wD:4.3,7.19,c:1,(.98,-4.73,;.51,-3.27,;1.41,-2.02,;2.95,-2.02,;.51,-.78,;2.01,-.46,;2.49,1.01,;1.46,2.15,;-.05,1.83,;-.52,.37,;.55,3.4,;-.99,3.4,;-1.76,4.73,;-3.3,4.73,;-4.07,3.4,;-3.3,2.07,;-4.07,.73,;-1.76,2.07,;2.92,2.63,;4.07,1.6,;3.24,4.14,;-.96,-1.25,;-2.29,-.48,;-3.63,-1.25,;-3.63,-2.79,;-2.29,-3.56,;-.96,-2.79,)|
CC(C)C1=C(C)[C@]2(CC[C@](CC2)(Nc2cccc(Br)c2)C(O)=O)c2ccccc12 |r,wU:9.21,wD:6.5,9.12,c:3,(-.05,-5.3,;.98,-4.16,;2.49,-4.48,;.51,-2.7,;1.41,-1.45,;2.95,-1.45,;.51,-.2,;2.01,.12,;2.49,1.58,;1.46,2.73,;-.05,2.41,;-.52,.94,;.55,3.97,;-.99,3.97,;-1.76,5.3,;-3.3,5.3,;-4.07,3.97,;-3.3,2.64,;-4.07,1.3,;-1.76,2.64,;2.92,3.2,;4.07,2.17,;3.24,4.71,;-.96,-.68,;-2.29,.09,;-3.63,-.68,;-3.63,-2.22,;-2.29,-2.99,;-.96,-2.22,)|
CCC1=C(C)[C@]2(CC[C@@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,8.20,c:2,(2.44,-4.94,;.93,-4.62,;.45,-3.15,;1.36,-1.91,;2.9,-1.91,;.45,-.66,;1.96,-.34,;2.44,1.12,;1.41,2.27,;-.1,1.95,;-.58,.48,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,;2.89,2.67,;3.98,1.58,;3.29,4.16,;-1.01,-1.14,;-2.34,-.37,;-3.68,-1.14,;-3.68,-2.68,;-2.34,-3.45,;-1.01,-2.68,)|
CC[C@@H]1[C@H](C)[C@]2(CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c2ccccc12 |r,wU:5.23,3.3,2.1,8.20,wD:8.11,(2.44,-4.94,;.93,-4.62,;.45,-3.15,;1.36,-1.91,;2.9,-1.91,;.45,-.66,;1.96,-.34,;2.44,1.12,;1.41,2.27,;-.1,1.95,;-.58,.48,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,;2.89,2.67,;3.98,1.58,;3.29,4.16,;-1.01,-1.14,;-2.34,-.37,;-3.68,-1.14,;-3.68,-2.68,;-2.34,-3.45,;-1.01,-2.68,)|
C[C@@H]1[C@H](C)[C@]2(CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c2ccccc12 |r,wU:4.22,2.2,1.0,7.19,wD:7.10,(.93,-4.62,;.45,-3.15,;1.36,-1.91,;2.9,-1.91,;.45,-.66,;1.96,-.34,;2.44,1.12,;1.41,2.27,;-.1,1.95,;-.58,.48,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,;2.89,2.67,;3.98,1.58,;3.29,4.16,;-1.01,-1.14,;-2.34,-.37,;-3.68,-1.14,;-3.68,-2.68,;-2.34,-3.45,;-1.01,-2.68,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccccc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.26,c:10,(3.98,1.58,;2.89,2.67,;3.29,4.16,;1.41,2.27,;2.44,1.12,;1.96,-.34,;.45,-.66,;-.58,.48,;-.1,1.95,;1.36,-1.91,;.45,-3.15,;-1.01,-2.68,;-2.34,-3.45,;-3.68,-2.68,;-3.68,-1.14,;-2.34,-.37,;-1.01,-1.14,;2.9,-1.91,;3.67,-3.24,;5.21,-3.24,;5.98,-1.91,;5.21,-.57,;3.67,-.57,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,)|
OC(=O)[C@@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccccc1)Nc1cccc(Br)c1 |r,wU:6.17,9.19,3.26,wD:3.2,(3.98,1.58,;2.89,2.67,;3.29,4.16,;1.41,2.27,;2.44,1.12,;1.96,-.34,;.45,-.66,;-.58,.48,;-.1,1.95,;1.36,-1.91,;.45,-3.15,;-1.01,-2.68,;-2.34,-3.45,;-3.68,-2.68,;-3.68,-1.14,;-2.34,-.37,;-1.01,-1.14,;2.9,-1.91,;3.67,-3.24,;5.21,-3.24,;5.98,-1.91,;5.21,-.57,;3.67,-.57,;.64,3.6,;-.9,3.6,;-1.67,4.94,;-3.21,4.94,;-3.98,3.6,;-3.21,2.27,;-3.98,.94,;-1.67,2.27,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccccc1)Nc1cccc(Br)c1 |r,wU:9.19,6.17,3.2,wD:3.26,(2.72,.19,;1.95,1.52,;2.72,2.86,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-1.32,;4.21,-1.32,;4.98,-2.65,;4.21,-3.98,;2.67,-3.98,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
Cn1cc(cn1)C1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:14.15,17.32,wD:17.23,(5.29,-1.11,;3.96,-1.88,;2.5,-1.41,;1.59,-2.65,;2.5,-3.9,;3.96,-3.42,;.05,-2.65,;-.86,-3.9,;-2.32,-3.42,;-3.65,-4.19,;-4.99,-3.42,;-4.99,-1.88,;-3.65,-1.11,;-2.32,-1.88,;-.86,-1.41,;.65,-1.09,;1.13,.38,;.1,1.52,;-1.41,1.2,;-1.89,-.26,;-.67,2.86,;-2.21,2.86,;-2.98,4.19,;-4.52,4.19,;-5.29,2.86,;-4.52,1.52,;-5.29,.19,;-2.98,1.52,;1.64,1.52,;2.41,.19,;2.41,2.86,)|
Cn1cc(cn1)C1Cc2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:17.23,14.15,wD:17.32,(5.29,-1.11,;3.96,-1.88,;2.5,-1.41,;1.59,-2.65,;2.5,-3.9,;3.96,-3.42,;.05,-2.65,;-.86,-3.9,;-2.32,-3.42,;-3.65,-4.19,;-4.99,-3.42,;-4.99,-1.88,;-3.65,-1.11,;-2.32,-1.88,;-.86,-1.41,;.65,-1.09,;1.13,.38,;.1,1.52,;-1.41,1.2,;-1.89,-.26,;-.67,2.86,;-2.21,2.86,;-2.98,4.19,;-4.52,4.19,;-5.29,2.86,;-4.52,1.52,;-5.29,.19,;-2.98,1.52,;1.64,1.52,;2.41,.19,;2.41,2.86,)|
Cc1ccccc1C1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(1.59,-5.32,;2.36,-3.98,;3.9,-3.98,;4.67,-2.65,;3.9,-1.32,;2.36,-1.32,;1.59,-2.65,;.05,-2.65,;-.86,-3.9,;-2.32,-3.42,;-3.65,-4.19,;-4.99,-3.42,;-4.99,-1.88,;-3.65,-1.11,;-2.32,-1.88,;-.86,-1.41,;-1.89,-.26,;-1.41,1.2,;.1,1.52,;1.13,.38,;.65,-1.09,;-.67,2.86,;-2.21,2.86,;-2.98,4.19,;-4.52,4.19,;-5.29,2.86,;-4.52,1.52,;-5.29,.19,;-2.98,1.52,;1.64,1.52,;2.41,.19,;2.41,2.86,)|
Cc1cccc(c1)C1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(4.67,.02,;3.9,-1.32,;4.67,-2.65,;3.9,-3.98,;2.36,-3.98,;1.59,-2.65,;2.36,-1.32,;.05,-2.65,;-.86,-3.9,;-2.32,-3.42,;-3.65,-4.19,;-4.99,-3.42,;-4.99,-1.88,;-3.65,-1.11,;-2.32,-1.88,;-.86,-1.41,;-1.89,-.26,;-1.41,1.2,;.1,1.52,;1.13,.38,;.65,-1.09,;-.67,2.86,;-2.21,2.86,;-2.98,4.19,;-4.52,4.19,;-5.29,2.86,;-4.52,1.52,;-5.29,.19,;-2.98,1.52,;1.64,1.52,;2.41,.19,;2.41,2.86,)|
Cc1ccc(cc1)C1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(5.75,-2.65,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;1.9,-1.32,;3.44,-1.32,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,)|
COc1ccc(cc1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:19.34,16.17,wD:19.25,8.8,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,)|
COc1ccc(cc1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:19.34,16.17,8.8,wD:19.25,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.66,1.95,;1.75,.86,;1.06,3.43,)|
COc1cccc(c1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:19.34,16.17,wD:19.25,8.8,(5.83,-.01,;4.29,-.01,;3.52,-1.34,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
COc1cccc(c1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:19.34,16.17,8.8,wD:19.25,(5.83,-.01,;4.29,-.01,;3.52,-1.34,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
OC(=O)C1(CCC2(CC1)C(Cc1ccccc21)c1cccc(Cl)c1)Nc1cccc(Br)c1 |(3,1.55,;1.66,2.32,;1.66,3.86,;.33,1.55,;-1.16,1.15,;-1.56,-.34,;-.47,-1.43,;1.02,-1.03,;1.42,.46,;.44,-2.67,;-.47,-3.92,;-1.93,-3.44,;-3.26,-4.21,;-4.6,-3.44,;-4.6,-1.9,;-3.26,-1.13,;-1.93,-1.9,;1.98,-2.67,;2.75,-4.01,;4.29,-4.01,;5.06,-2.67,;4.29,-1.34,;5.06,-.01,;2.75,-1.34,;-.44,2.88,;-1.98,2.88,;-2.75,4.21,;-4.29,4.21,;-5.06,2.88,;-4.29,1.55,;-5.06,.21,;-2.75,1.55,)|
OC(=O)C1(CCC2(CC1)C(Cc1ccccc21)c1ccc(Cl)cc1)Nc1cccc(Br)c1 |(2.14,.86,;1.05,1.95,;1.45,3.43,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;1.21,-2.67,;1.98,-4.01,;3.52,-4.01,;4.29,-2.67,;5.83,-2.67,;3.52,-1.34,;1.98,-1.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,)|
OC(=O)C1(CCC2(CC1)C(Cc1ccccc21)C1=NCCS1)Nc1cccc(Cl)c1 |t:20,(1.79,.99,;.64,2.02,;.96,3.53,;-.82,1.55,;.26,.46,;-.13,-1.03,;-1.62,-1.43,;-2.71,-.34,;-2.31,1.15,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;.82,-2.67,;1.73,-3.92,;3.19,-3.44,;3.19,-1.9,;1.73,-1.43,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,)|
COc1ccc(cc1C)C1=Cc2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.26,wD:17.19,20.35,t:10,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;3.9,-.01,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,)|
COc1ccc(cc1C)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;3.9,-.01,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,)|
COc1ccc(cc1Cl)C1=Cc2ccccc2[C@@]11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.26,wD:17.19,20.35,t:10,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;3.9,-.01,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,)|
COc1ccc(cc1Cl)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;3.9,-.01,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,)|
COc1ccc(C2=Cc3ccccc3[C@@]22CC[C@@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(C)c1 |r,wU:17.22,wD:14.15,17.31,t:6,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,;1.59,-1.34,;.82,-.01,;3.13,-1.34,)|
COc1ccc(C2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(C)c1 |r,wU:17.31,wD:14.15,17.22,t:6,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,;1.59,-1.34,;.82,-.01,;3.13,-1.34,)|
COc1ccc(cc1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.34,wD:16.18,19.25,t:9,(6.21,-1.34,;5.44,-2.67,;3.9,-2.67,;3.13,-4.01,;1.59,-4.01,;.82,-2.67,;1.59,-1.34,;3.13,-1.34,;-.72,-2.67,;-1.62,-3.92,;-3.09,-3.44,;-4.42,-4.21,;-5.75,-3.44,;-5.75,-1.9,;-4.42,-1.13,;-3.09,-1.9,;-1.62,-1.43,;-.13,-1.03,;.26,.46,;-.82,1.55,;-2.31,1.15,;-2.71,-.34,;-1.59,2.88,;-3.13,2.88,;-3.9,4.21,;-5.44,4.21,;-6.21,2.88,;-5.44,1.55,;-6.21,.21,;-3.9,1.55,;.64,2.02,;1.79,.99,;.96,3.53,)|
Cc1noc(C)c1C1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(2.47,.43,;3.24,-.91,;4.7,-1.38,;4.7,-2.92,;3.24,-3.4,;2.47,-4.73,;2.33,-2.15,;.79,-2.15,;-.11,-3.4,;-1.58,-2.92,;-2.91,-3.69,;-4.24,-2.92,;-4.24,-1.38,;-2.91,-.61,;-1.58,-1.38,;-.11,-.91,;1.38,-.51,;1.78,.98,;.69,2.07,;-.8,1.67,;-1.2,.18,;-.08,3.4,;-1.62,3.4,;-2.39,4.73,;-3.93,4.73,;-4.7,3.4,;-3.93,2.07,;-4.7,.73,;-2.39,2.07,;2.15,2.54,;3.3,1.51,;2.47,4.05,)|
Cc1cc(cs1)C1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(5.95,-.48,;4.7,-1.38,;3.24,-.91,;2.33,-2.15,;3.24,-3.4,;4.7,-2.92,;.79,-2.15,;-.11,-3.4,;-1.58,-2.92,;-2.91,-3.69,;-4.24,-2.92,;-4.24,-1.38,;-2.91,-.61,;-1.58,-1.38,;-.11,-.91,;1.38,-.51,;1.78,.98,;.69,2.07,;-.8,1.67,;-1.2,.18,;-.08,3.4,;-1.62,3.4,;-2.39,4.73,;-3.93,4.73,;-4.7,3.4,;-3.93,2.07,;-4.7,.73,;-2.39,2.07,;2.15,2.54,;3.3,1.51,;2.47,4.05,)|
OC(=O)C1(CCC2(CC1)C(=Cc1ccccc21)c1ccc(Cl)c(Cl)c1)Nc1cccc(Br)c1 |c:10,(2.14,.86,;1.05,1.95,;1.45,3.43,;-.44,1.55,;.65,.46,;.25,-1.03,;-1.24,-1.43,;-2.33,-.34,;-1.93,1.15,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;1.21,-2.67,;1.98,-4.01,;3.52,-4.01,;4.29,-2.67,;5.83,-2.67,;3.52,-1.34,;4.29,-.01,;1.98,-1.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,)|
Cc1ccc(cc1Cl)C1=Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |t:9,(5.83,-2.67,;4.29,-2.67,;3.52,-4.01,;1.98,-4.01,;1.21,-2.67,;1.98,-1.34,;3.52,-1.34,;4.29,-.01,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
Cc1cc(ccc1Cl)C1=Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |t:9,(4.29,-.01,;3.52,-1.34,;1.98,-1.34,;1.21,-2.67,;1.98,-4.01,;3.52,-4.01,;4.29,-2.67,;5.83,-2.67,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;-1.24,-1.43,;.25,-1.03,;.65,.46,;-.44,1.55,;-1.93,1.15,;-2.33,-.34,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,;1.05,1.95,;2.14,.86,;1.45,3.43,)|
OC(=O)C1(CCC2(CC1)C(=Cc1ccccc21)c1cc(Cl)cc(Cl)c1)Nc1cccc(Br)c1 |c:10,(2.14,.86,;1.05,1.95,;1.45,3.43,;-.44,1.55,;.65,.46,;.25,-1.03,;-1.24,-1.43,;-2.33,-.34,;-1.93,1.15,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;1.21,-2.67,;1.98,-1.34,;3.52,-1.34,;4.29,-.01,;4.29,-2.67,;3.52,-4.01,;4.29,-5.34,;1.98,-4.01,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,)|
COc1cc(OC)cc(c1)C1=Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |t:11,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;4.21,-4.75,;5.75,-4.75,;1.9,-3.42,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
Cc1cc(C)cc(c1)C1=Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |t:9,(4.21,-4.75,;3.44,-3.42,;4.21,-2.09,;3.44,-.75,;4.21,.58,;1.9,-.75,;1.13,-2.09,;1.9,-3.42,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
Cc1ccc(o1)C1Cc2ccccc2C11CCC(Cc2cccc(Br)c2)(CC1)C(O)=O |(5.25,-.98,;4,-1.88,;4,-3.42,;2.54,-3.9,;1.63,-2.65,;2.54,-1.41,;.09,-2.65,;-.81,-3.9,;-2.28,-3.42,;-3.61,-4.19,;-4.94,-3.42,;-4.94,-1.88,;-3.61,-1.11,;-2.28,-1.88,;-.81,-1.41,;.69,-1.09,;1.17,.38,;.14,1.52,;-.63,2.86,;-2.17,2.86,;-2.94,4.19,;-4.48,4.19,;-5.25,2.86,;-4.48,1.52,;-5.25,.19,;-2.94,1.52,;-1.37,1.2,;-1.84,-.26,;1.63,1.92,;2.72,.83,;2.03,3.41,)|
COc1ccc(cc1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,19.34,wD:8.8,19.25,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;1.52,-1.32,;3.06,-1.32,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-.19,-1.09,;.28,.38,;-.75,1.52,;-2.25,1.2,;-2.73,-.26,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,;.74,1.92,;1.83,.83,;1.14,3.41,)|
COc1ccc(cc1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,8.8,19.34,wD:19.25,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;1.52,-1.32,;3.06,-1.32,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-.19,-1.09,;.28,.38,;-.75,1.52,;-2.25,1.2,;-2.73,-.26,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,;.74,1.92,;1.83,.83,;1.14,3.41,)|
COc1ccc(cc1C)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:9.9,20.35,17.18,wD:20.26,(6.17,-1.22,;5.4,-2.56,;3.86,-2.56,;3.09,-3.9,;1.55,-3.9,;.78,-2.57,;1.54,-1.24,;3.08,-1.23,;3.85,.11,;-.76,-2.58,;-1.66,-3.83,;-3.13,-3.36,;-4.46,-4.13,;-5.8,-3.36,;-5.8,-1.82,;-4.47,-1.05,;-3.14,-1.82,;-1.67,-1.33,;-.16,-1.05,;.35,.4,;-.65,1.57,;-2.16,1.29,;-2.67,-.17,;-1.55,2.8,;-3.09,2.8,;-3.86,4.13,;-5.4,4.13,;-6.17,2.8,;-5.4,1.46,;-6.17,.13,;-3.86,1.46,;.84,1.97,;1.93,.88,;1.24,3.46,)|
COc1ccc(cc1C)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,17.18,wD:20.26,9.9,(6.17,-1.22,;5.4,-2.56,;3.86,-2.56,;3.09,-3.9,;1.55,-3.9,;.78,-2.57,;1.54,-1.24,;3.08,-1.23,;3.85,.11,;-.76,-2.58,;-1.66,-3.83,;-3.13,-3.36,;-4.46,-4.13,;-5.8,-3.36,;-5.8,-1.82,;-4.47,-1.05,;-3.14,-1.82,;-1.67,-1.33,;-.16,-1.05,;.35,.4,;-.65,1.57,;-2.16,1.29,;-2.67,-.17,;-1.55,2.8,;-3.09,2.8,;-3.86,4.13,;-5.4,4.13,;-6.17,2.8,;-5.4,1.46,;-6.17,.13,;-3.86,1.46,;.84,1.97,;1.93,.88,;1.24,3.46,)|
OC(=O)[C@@]1(CCC2(CC1)C(Cc1ccccc21)c1ccc(OCc2ccccc2)cc1)Nc1cccc(Br)c1 |r,wU:3.2,wD:3.35,(2.77,1.95,;1.68,3.04,;2.08,4.53,;.19,2.65,;-1.32,2.33,;-1.79,.86,;-.76,-.28,;.75,.04,;1.22,1.5,;.14,-1.53,;-.76,-2.78,;-2.23,-2.3,;-3.56,-3.07,;-4.89,-2.3,;-4.89,-.76,;-3.56,.01,;-2.23,-.76,;1.68,-1.53,;2.45,-2.86,;3.99,-2.86,;4.76,-1.53,;6.3,-1.53,;7.07,-.2,;6.31,1.14,;7.07,2.47,;6.3,3.8,;4.77,3.8,;3.99,2.47,;4.77,1.14,;3.99,-.2,;2.45,-.2,;-.58,3.98,;-2.12,3.98,;-2.89,5.31,;-4.43,5.31,;-5.2,3.98,;-4.43,2.65,;-5.2,1.31,;-2.89,2.65,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1coc2ccccc12)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.77,1.95,;1.68,3.04,;2.08,4.53,;.19,2.65,;1.22,1.5,;.75,.04,;-.76,-.28,;-1.79,.86,;-1.32,2.33,;.14,-1.53,;-.76,-2.78,;-2.23,-2.3,;-3.56,-3.07,;-4.89,-2.3,;-4.89,-.76,;-3.56,.01,;-2.23,-.76,;1.68,-1.53,;2.59,-.28,;4.05,-.76,;4.05,-2.3,;5.2,-3.33,;4.88,-4.84,;3.41,-5.31,;2.27,-4.28,;2.59,-2.78,;-.58,3.98,;-2.12,3.98,;-2.89,5.31,;-4.43,5.31,;-5.2,3.98,;-4.43,2.65,;-5.2,1.31,;-2.89,2.65,)|
COc1ccc(Cl)c(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;1.9,-3.42,;1.13,-4.75,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc2occc2c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.15,.83,;1.06,1.92,;1.46,3.41,;-.43,1.52,;.61,.38,;.13,-1.09,;-1.38,-1.41,;-2.41,-.26,;-1.93,1.2,;-.47,-2.65,;-1.38,-3.9,;-2.84,-3.42,;-4.18,-4.19,;-5.51,-3.42,;-5.51,-1.88,;-4.18,-1.11,;-2.84,-1.88,;1.07,-2.65,;1.84,-3.98,;3.38,-3.98,;4.15,-2.65,;5.65,-2.33,;5.82,-.8,;4.41,-.17,;3.38,-1.32,;1.84,-1.32,;-1.2,2.86,;-2.74,2.86,;-3.51,4.19,;-5.05,4.19,;-5.82,2.86,;-5.05,1.52,;-5.82,.19,;-3.51,1.52,)|
COc1cccc(C)c1C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(.36,-4.75,;1.9,-4.75,;2.67,-3.42,;4.21,-3.42,;4.98,-2.09,;4.21,-.75,;2.67,-.75,;1.9,.58,;1.9,-2.09,;.36,-2.09,;-.54,-3.33,;-2.01,-2.86,;-3.34,-3.63,;-4.68,-2.86,;-4.68,-1.32,;-3.34,-.55,;-2.01,-1.32,;-.54,-.84,;.96,-.52,;1.44,.94,;.41,2.09,;-1.1,1.77,;-1.57,.3,;-.36,3.42,;-1.9,3.42,;-2.67,4.75,;-4.21,4.75,;-4.98,3.42,;-4.21,2.09,;-4.98,.75,;-2.67,2.09,;1.9,2.49,;2.98,1.4,;2.29,3.97,)|
Cc1cccc(C)c1C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.34,wD:16.18,19.25,t:9,(1.9,.58,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;4.21,-3.42,;2.67,-3.42,;1.9,-4.75,;1.9,-2.09,;.36,-2.09,;-.54,-3.33,;-2.01,-2.86,;-3.34,-3.63,;-4.68,-2.86,;-4.68,-1.32,;-3.34,-.55,;-2.01,-1.32,;-.54,-.84,;.96,-.52,;1.44,.94,;.41,2.09,;-1.1,1.77,;-1.57,.3,;-.36,3.42,;-1.9,3.42,;-2.67,4.75,;-4.21,4.75,;-4.98,3.42,;-4.21,2.09,;-4.98,.75,;-2.67,2.09,;1.9,2.49,;2.98,1.4,;2.29,3.97,)|
COc1cccc(Cl)c1C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(.36,-4.75,;1.9,-4.75,;2.67,-3.42,;4.21,-3.42,;4.98,-2.09,;4.21,-.75,;2.67,-.75,;1.9,.58,;1.9,-2.09,;.36,-2.09,;-.54,-3.33,;-2.01,-2.86,;-3.34,-3.63,;-4.68,-2.86,;-4.68,-1.32,;-3.34,-.55,;-2.01,-1.32,;-.54,-.84,;.96,-.52,;1.44,.94,;.41,2.09,;-1.1,1.77,;-1.57,.3,;-.36,3.42,;-1.9,3.42,;-2.67,4.75,;-4.21,4.75,;-4.98,3.42,;-4.21,2.09,;-4.98,.75,;-2.67,2.09,;1.9,2.49,;2.98,1.4,;2.29,3.97,)|
COc1ccc(C2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(Cl)c1 |r,wU:17.31,wD:14.15,17.22,t:6,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-.19,-1.09,;.28,.38,;-.75,1.52,;-2.25,1.2,;-2.73,-.26,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,;.74,1.92,;1.83,.83,;1.14,3.41,;1.52,-1.32,;.75,.02,;3.06,-1.32,)|
COc1ccc(C)c(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;1.9,-3.42,;1.13,-4.75,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
COc1cccc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.34,wD:16.18,19.25,t:9,(5.75,.02,;4.21,.02,;3.44,-1.32,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;1.9,-1.32,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,)|
COc1ccc(C2Cc3ccccc3[C@@]22CC[C@@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(C)c1 |r,wU:17.22,14.14,wD:17.31,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-.19,-1.09,;.28,.38,;-.75,1.52,;-2.25,1.2,;-2.73,-.26,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,;.74,1.92,;1.83,.83,;1.14,3.41,;1.52,-1.32,;.75,.02,;3.06,-1.32,)|
COc1ccc([C@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(C)c1 |r,wU:6.5,14.14,17.31,wD:17.22,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-.19,-1.09,;.28,.38,;-.75,1.52,;-2.25,1.2,;-2.73,-.26,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,;.74,1.92,;1.83,.83,;1.14,3.41,;1.52,-1.32,;.75,.02,;3.06,-1.32,)|
COc1ccc([C@H]2Cc3ccccc3[C@@]22CC[C@@](CC2)(Nc2ccccc2)C(O)=O)c(C)c1 |r,wU:17.30,6.5,wD:14.14,17.22,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-3.83,1.52,;.76,1.84,;1.79,.7,;1.24,3.31,;1.52,-1.32,;.75,.02,;3.06,-1.32,)|
COc1ccc([C@@H]2Cc3ccccc3[C@@]22CC[C@@](CC2)(Nc2ccccc2)C(O)=O)c(C)c1 |r,wU:17.30,wD:14.14,17.22,6.5,(6.14,-1.32,;5.37,-2.65,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-2.73,-.26,;-2.25,1.2,;-.75,1.52,;.28,.38,;-.19,-1.09,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-3.83,1.52,;.76,1.84,;1.79,.7,;1.24,3.31,;1.52,-1.32,;.75,.02,;3.06,-1.32,)|
COc1ccc(Cl)c(c1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.18,20.35,9.9,wD:20.26,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;1.9,-3.42,;1.13,-4.75,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.14,2.41,;2.18,1.26,;1.62,3.87,)|
COc1ccc(Cl)c(c1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.18,20.35,wD:20.26,9.9,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;1.9,-3.42,;1.13,-4.75,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.14,2.41,;2.18,1.26,;1.62,3.87,)|
COc1ccc(Cl)c(c1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccccc1)C(O)=O |r,wU:17.18,20.34,9.9,wD:20.26,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;1.9,-3.42,;1.13,-4.75,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-3.44,2.09,;1.14,2.41,;2.18,1.26,;1.62,3.87,)|
COc1ccc(Cl)c(c1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccccc1)C(O)=O |r,wU:17.18,20.34,wD:20.26,9.9,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;1.9,-3.42,;1.13,-4.75,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-3.44,2.09,;1.14,2.41,;2.18,1.26,;1.62,3.87,)|
Cc1ccc(s1)C1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |(5.37,-1.13,;4.04,-1.9,;4.04,-3.44,;2.57,-3.92,;1.67,-2.67,;2.57,-1.43,;.13,-2.67,;-.78,-3.92,;-2.24,-3.44,;-3.58,-4.21,;-4.91,-3.44,;-4.91,-1.9,;-3.58,-1.13,;-2.24,-1.9,;-.78,-1.43,;.71,-1.03,;1.11,.46,;.02,1.55,;-1.47,1.15,;-1.87,-.34,;-.75,2.88,;-2.29,2.88,;-3.06,4.21,;-4.6,4.21,;-5.37,2.88,;-4.6,1.55,;-5.37,.21,;-3.06,1.55,;1.51,1.95,;2.6,.86,;1.91,3.43,)|
Cc1ccc(s1)[C@H]1Cc2ccccc2C11CCC(CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:6.6,(5.37,-1.13,;4.04,-1.9,;4.04,-3.44,;2.57,-3.92,;1.67,-2.67,;2.57,-1.43,;.13,-2.67,;-.78,-3.92,;-2.24,-3.44,;-3.58,-4.21,;-4.91,-3.44,;-4.91,-1.9,;-3.58,-1.13,;-2.24,-1.9,;-.78,-1.43,;.71,-1.03,;1.11,.46,;.02,1.55,;-1.47,1.15,;-1.87,-.34,;-.75,2.88,;-2.29,2.88,;-3.06,4.21,;-4.6,4.21,;-5.37,2.88,;-4.6,1.55,;-5.37,.21,;-3.06,1.55,;1.51,1.95,;2.6,.86,;1.91,3.43,)|
Cn1ccc2cc(ccc12)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.37,wD:18.21,21.28,t:12,(6.36,-3.44,;5.27,-2.35,;5.43,-.82,;4.02,-.2,;2.99,-1.34,;1.45,-1.34,;.68,-2.67,;1.45,-4.01,;2.99,-4.01,;3.76,-2.67,;-.86,-2.67,;-1.76,-3.92,;-3.23,-3.44,;-4.56,-4.21,;-5.9,-3.44,;-5.9,-1.9,;-4.56,-1.13,;-3.23,-1.9,;-1.76,-1.43,;-.28,-1.03,;.12,.46,;-.97,1.55,;-2.45,1.15,;-2.85,-.34,;-1.74,2.88,;-3.28,2.88,;-4.05,4.21,;-5.59,4.21,;-6.36,2.88,;-5.59,1.55,;-6.36,.21,;-4.05,1.55,;.52,1.95,;1.61,.86,;.92,3.43,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc2ccoc2c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.11,.7,;1.08,1.84,;1.56,3.31,;-.43,1.52,;.61,.38,;.13,-1.09,;-1.38,-1.41,;-2.41,-.26,;-1.93,1.2,;-.47,-2.65,;-1.38,-3.9,;-2.84,-3.42,;-4.18,-4.19,;-5.51,-3.42,;-5.51,-1.88,;-4.18,-1.11,;-2.84,-1.88,;1.07,-2.65,;1.84,-3.98,;3.38,-3.98,;4.15,-2.65,;5.65,-2.33,;5.82,-.8,;4.41,-.17,;3.38,-1.32,;1.84,-1.32,;-1.2,2.86,;-2.74,2.86,;-3.51,4.19,;-5.05,4.19,;-5.82,2.86,;-5.05,1.52,;-5.82,.19,;-3.51,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc2ccoc12)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.95,1.78,;1.91,2.93,;2.39,4.39,;.41,2.61,;1.44,1.46,;.96,-0,;-.54,-.32,;-1.57,.82,;-1.1,2.29,;.36,-1.57,;-.54,-2.82,;-2.01,-2.34,;-3.34,-3.11,;-4.68,-2.34,;-4.68,-.8,;-3.34,-.03,;-2.01,-.8,;1.9,-1.57,;2.67,-.24,;4.21,-.24,;4.98,-1.57,;4.21,-2.9,;4.69,-4.37,;3.44,-5.27,;2.2,-4.37,;2.67,-2.9,;-.36,3.94,;-1.9,3.94,;-2.67,5.27,;-4.21,5.27,;-4.98,3.94,;-4.21,2.61,;-4.98,1.27,;-2.67,2.61,)|
COc1cccc(C2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1Cl |r,wU:18.32,wD:15.16,18.23,t:7,(5.9,.02,;4.36,.02,;3.59,-1.32,;4.36,-2.65,;3.59,-3.98,;2.05,-3.98,;1.28,-2.65,;-.55,-2.65,;-1.46,-3.9,;-2.92,-3.42,;-4.26,-4.19,;-5.59,-3.42,;-5.59,-1.88,;-4.26,-1.11,;-2.92,-1.88,;-1.46,-1.41,;.05,-1.09,;.52,.38,;-.51,1.52,;-2.01,1.2,;-2.49,-.26,;-1.28,2.86,;-2.82,2.86,;-3.59,4.19,;-5.13,4.19,;-5.9,2.86,;-5.13,1.52,;-5.9,.19,;-3.59,1.52,;1,1.84,;2.03,.7,;1.48,3.31,;2.05,-1.32,;1.28,.02,)|
COc1ccc([C@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(Cl)c1 |r,wU:14.14,17.31,6.5,wD:17.22,(6.28,-1.32,;5.51,-2.65,;3.97,-2.65,;3.2,-3.98,;1.66,-3.98,;.89,-2.65,;-.94,-2.65,;-1.84,-3.9,;-3.31,-3.42,;-4.64,-4.19,;-5.97,-3.42,;-5.97,-1.88,;-4.64,-1.11,;-3.31,-1.88,;-1.84,-1.41,;-.34,-1.09,;.14,.38,;-.89,1.52,;-2.4,1.2,;-2.87,-.26,;-1.66,2.86,;-3.2,2.86,;-3.97,4.19,;-5.51,4.19,;-6.28,2.86,;-5.51,1.52,;-6.28,.19,;-3.97,1.52,;.62,1.84,;1.65,.7,;1.09,3.31,;1.66,-1.32,;.89,.02,;3.2,-1.32,)|
COc1ccc([C@@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(Cl)c1 |r,wU:14.14,17.31,wD:17.22,6.5,(6.28,-1.32,;5.51,-2.65,;3.97,-2.65,;3.2,-3.98,;1.66,-3.98,;.89,-2.65,;-.94,-2.65,;-1.84,-3.9,;-3.31,-3.42,;-4.64,-4.19,;-5.97,-3.42,;-5.97,-1.88,;-4.64,-1.11,;-3.31,-1.88,;-1.84,-1.41,;-.34,-1.09,;.14,.38,;-.89,1.52,;-2.4,1.2,;-2.87,-.26,;-1.66,2.86,;-3.2,2.86,;-3.97,4.19,;-5.51,4.19,;-6.28,2.86,;-5.51,1.52,;-6.28,.19,;-3.97,1.52,;.62,1.84,;1.65,.7,;1.09,3.31,;1.66,-1.32,;.89,.02,;3.2,-1.32,)|
COc1ccc(C)c(c1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.18,20.35,9.9,wD:20.26,(5.75,-4.75,;4.21,-4.75,;3.44,-3.42,;4.21,-2.09,;3.44,-.75,;1.9,-.75,;1.13,.58,;1.13,-2.09,;1.9,-3.42,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.14,2.41,;2.18,1.26,;1.62,3.87,)|
COc1ccc(C)c(c1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.18,20.35,wD:20.26,9.9,(5.75,-4.75,;4.21,-4.75,;3.44,-3.42,;4.21,-2.09,;3.44,-.75,;1.9,-.75,;1.13,.58,;1.13,-2.09,;1.9,-3.42,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.14,2.41,;2.18,1.26,;1.62,3.87,)|
COc1cccc(c1)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,19.34,8.8,wD:19.25,(5.75,.02,;4.21,.02,;3.44,-1.32,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;1.9,-1.32,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.14,1.84,;2.18,.7,;1.62,3.31,)|
COc1cccc(c1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,19.34,wD:19.25,8.8,(5.75,.02,;4.21,.02,;3.44,-1.32,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;1.9,-1.32,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.14,1.84,;2.18,.7,;1.62,3.31,)|
Cn1ccc2cc(ccc12)C1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:18.20,21.37,wD:21.28,(6.31,-3.36,;5.16,-2.33,;5.32,-.8,;3.92,-.17,;2.89,-1.32,;1.35,-1.32,;.58,-2.65,;1.35,-3.98,;2.89,-3.98,;3.66,-2.65,;-.96,-2.65,;-1.87,-3.9,;-3.33,-3.42,;-4.67,-4.19,;-6,-3.42,;-6,-1.88,;-4.67,-1.11,;-3.33,-1.88,;-1.87,-1.41,;-.36,-1.09,;.11,.38,;-.92,1.52,;-2.42,1.2,;-2.9,-.26,;-1.69,2.86,;-3.23,2.86,;-4,4.19,;-5.54,4.19,;-6.31,2.86,;-5.54,1.52,;-6.31,.19,;-4,1.52,;.59,1.84,;1.62,.7,;1.07,3.31,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1=CCCCC1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.26,c:10,t:20,(2.95,.7,;1.91,1.84,;2.39,3.31,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
CC1(C)[C@@H]2CC[C@@]1(C)C(=C2)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.37,3.3,6.7,wD:18.21,21.28,c:9,t:12,THB:10:8:5.4:1,(5.53,-1.45,;4.76,-2.78,;5.53,-4.12,;3.22,-2.84,;3.57,-1.34,;2.76,-.03,;2.41,-1.53,;.92,-1.13,;1.36,-2.65,;2.17,-3.96,;-.18,-2.65,;-1.09,-3.9,;-2.55,-3.42,;-3.89,-4.19,;-5.22,-3.42,;-5.22,-1.88,;-3.89,-1.11,;-2.55,-1.88,;-1.09,-1.41,;.42,-1.09,;.89,.38,;-.14,1.52,;-1.64,1.2,;-2.12,-.26,;-.91,2.86,;-2.45,2.86,;-3.22,4.19,;-4.76,4.19,;-5.53,2.86,;-4.76,1.52,;-5.53,.19,;-3.22,1.52,;1.37,1.84,;2.4,.7,;1.84,3.31,)|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(=Cc1ccccc21)C1=CCCC1 |r,c:19,t:29|
CC1(C)CCC=C1C1=Cc2ccccc2[C@@]11CC[C@@H](C(C1)Nc1cccc(Cl)c1)C(O)=O |r,c:5,t:8|
COc1ccc(cc1Cl)[C@H]1Cc2ccccc2[C@@]11CC[C@@H](C(C1)Nc1cccc(Cl)c1)C(O)=O |r|
COc1ccc(cc1Cl)[C@@H]1Cc2ccccc2[C@@]11CC[C@@H](C(C1)Nc1cccc(Cl)c1)C(O)=O |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)[C@@H](Cc1ccccc21)c1ccc2occc2c1 |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)[C@H](Cc1ccccc21)c1ccc2occc2c1 |r|
COc1cccc(Cl)c1C1Cc2ccccc2[C@@]11CC[C@@H](C(C1)Nc1cccc(Cl)c1)C(O)=O |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(Cc1ccccc21)c1coc2ccccc12 |r|
COc1cccc(C)c1C1Cc2ccccc2[C@@]11CC[C@@H](C(C1)Nc1cccc(Cl)c1)C(O)=O |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(Cc1ccccc21)c1ccc2CCOc2c1 |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)[C@H](Cc1ccccc21)c1ccc2CCOc2c1 |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)[C@@H](Cc1ccccc21)c1ccc2ccoc2c1 |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(Cc1ccccc21)c1ccc2ccoc2c1 |r|
COc1cccc([C@H]2Cc3ccccc3[C@@]22CC[C@@H](C(C2)Nc2cccc(Cl)c2)C(O)=O)c1Cl |r|
COc1cccc([C@@H]2Cc3ccccc3[C@@]22CC[C@@H](C(C2)Nc2cccc(Cl)c2)C(O)=O)c1Cl |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(Cc1ccccc21)c1cccc2ccoc12 |r|
OC(=O)[C@H]1CC[C@]2(CC1Nc1cccc(Cl)c1)C(Cc1ccccc21)c1cccc2CCOc12 |r|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(Cc1ccccc21)c1cccc2CCOc12 |r|
Cc1ccc(cc1)C1=Cc2ccccc2[C@@]11CC[C@@H](C(C1)Nc1cccc(Cl)c1)C(O)=O |r,t:8|
OC(=O)[C@H]1CC[C@@]2(CC1Nc1cccc(Cl)c1)C(=Cc1ccccc21)c1ccc(Cl)cc1 |r,c:19|
COc1cccc(C2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1C |r,wU:18.32,wD:15.16,18.23,t:7,(5.75,.02,;4.21,.02,;3.44,-1.32,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,;1.9,-1.32,;1.13,.02,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(Cc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(OCc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.35,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cc2ccccc2o1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.01,.83,;.92,1.92,;1.32,3.41,;-.57,1.52,;.46,.38,;-.02,-1.09,;-1.52,-1.41,;-2.55,-.26,;-2.08,1.2,;-.62,-2.65,;-1.52,-3.9,;-2.99,-3.42,;-4.32,-4.19,;-5.65,-3.42,;-5.65,-1.88,;-4.32,-1.11,;-2.99,-1.88,;.92,-2.65,;1.83,-1.41,;3.29,-1.88,;4.63,-1.11,;5.96,-1.88,;5.96,-3.42,;4.63,-4.19,;3.29,-3.42,;1.83,-3.9,;-1.34,2.86,;-2.88,2.86,;-3.65,4.19,;-5.19,4.19,;-5.96,2.86,;-5.19,1.52,;-5.96,.19,;-3.65,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(O)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.27,c:10,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;4.98,.02,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccccc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.26,c:10,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
Cc1ccc(cc1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:18.33,wD:15.17,18.24,t:8,(5.75,-2.65,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;1.9,-1.32,;3.44,-1.32,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,)|
COc1cc(OC)cc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.36,wD:18.20,21.27,t:11,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;4.21,-4.75,;5.75,-4.75,;1.9,-3.42,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.35,c:10,(-.48,.83,;-1.57,1.92,;-1.17,3.41,;-3.06,1.52,;-2.03,.38,;-2.5,-1.09,;-4.01,-1.41,;-5.04,-.26,;-4.56,1.2,;-3.1,-2.65,;-4.01,-3.9,;-5.47,-3.42,;-6.81,-4.19,;-8.14,-3.42,;-8.14,-1.88,;-6.81,-1.11,;-5.47,-1.88,;-1.56,-2.65,;-.79,-3.98,;.75,-3.98,;1.52,-2.65,;3.06,-2.65,;3.83,-1.32,;5.37,-1.32,;6.14,-2.65,;7.68,-2.65,;8.45,-1.32,;7.68,.02,;6.14,.02,;.75,-1.32,;-.79,-1.32,;-3.83,2.86,;-5.37,2.86,;-6.14,4.19,;-7.68,4.19,;-8.45,2.86,;-7.68,1.52,;-8.45,.19,;-6.14,1.52,)|
COc1cc(C)cc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;4.21,-4.75,;1.9,-3.42,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccccc1Cl)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.27,c:10,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;2.67,-1.32,;1.9,.02,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(c1)C(F)(F)F)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.21,.83,;1.13,1.92,;1.52,3.41,;-.36,1.52,;.67,.38,;.19,-1.09,;-1.31,-1.41,;-2.34,-.26,;-1.87,1.2,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;1.13,-2.65,;1.9,-3.98,;3.44,-3.98,;4.21,-2.65,;3.44,-1.32,;1.9,-1.32,;4.21,.02,;5.75,.02,;4.98,1.35,;4.98,-1.32,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,)|
CCOc1cccc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(6.14,1.35,;5.37,.02,;3.83,.02,;3.06,-1.32,;3.83,-2.65,;3.06,-3.98,;1.52,-3.98,;.75,-2.65,;1.52,-1.32,;-.79,-2.65,;-1.7,-3.9,;-3.16,-3.42,;-4.5,-4.19,;-5.83,-3.42,;-5.83,-1.88,;-4.5,-1.11,;-3.16,-1.88,;-1.7,-1.41,;-.19,-1.09,;.28,.38,;-.75,1.52,;-2.25,1.2,;-2.73,-.26,;-1.52,2.86,;-3.06,2.86,;-3.83,4.19,;-5.37,4.19,;-6.14,2.86,;-5.37,1.52,;-6.14,.19,;-3.83,1.52,;.74,1.92,;1.83,.83,;1.14,3.41,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(OC(F)(F)F)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:10,(1.44,.83,;.36,1.92,;.75,3.41,;-1.13,1.52,;-.1,.38,;-.58,-1.09,;-2.08,-1.41,;-3.11,-.26,;-2.64,1.2,;-1.18,-2.65,;-2.08,-3.9,;-3.55,-3.42,;-4.88,-4.19,;-6.22,-3.42,;-6.22,-1.88,;-4.88,-1.11,;-3.55,-1.88,;.36,-2.65,;1.13,-3.98,;2.67,-3.98,;3.44,-2.65,;2.67,-1.32,;3.44,.02,;4.98,.02,;5.75,1.35,;5.75,-1.32,;6.52,.02,;1.13,-1.32,;-1.9,2.86,;-3.44,2.86,;-4.21,4.19,;-5.75,4.19,;-6.52,2.86,;-5.75,1.52,;-6.52,.19,;-4.21,1.52,)|
COCCOc1cccc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.37,wD:19.21,22.28,t:12,(7.29,.02,;6.52,1.35,;4.98,1.35,;4.21,.02,;2.67,.02,;1.9,-1.32,;2.67,-2.65,;1.9,-3.98,;.36,-3.98,;-.41,-2.65,;.36,-1.32,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.85,-1.41,;-1.35,-1.09,;-.87,.38,;-1.9,1.52,;-3.41,1.2,;-3.88,-.26,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,;-.41,1.92,;.67,.83,;-.02,3.41,)|
Cc1csc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.32,wD:14.16,17.23,t:7,(5.25,-.98,;4,-1.88,;4,-3.42,;2.54,-3.9,;1.63,-2.65,;2.54,-1.41,;.09,-2.65,;-.81,-3.9,;-2.28,-3.42,;-3.61,-4.19,;-4.94,-3.42,;-4.94,-1.88,;-3.61,-1.11,;-2.28,-1.88,;-.81,-1.41,;.69,-1.09,;1.17,.38,;.14,1.52,;-1.37,1.2,;-1.84,-.26,;-.63,2.86,;-2.17,2.86,;-2.94,4.19,;-4.48,4.19,;-5.25,2.86,;-4.48,1.52,;-5.25,.19,;-2.94,1.52,;1.63,1.92,;2.72,.83,;2.03,3.41,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(o1)-c1ccccc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.32,c:10,(1.34,.83,;.25,1.92,;.65,3.41,;-1.24,1.52,;-.21,.38,;-.68,-1.09,;-2.19,-1.41,;-3.22,-.26,;-2.74,1.2,;-1.28,-2.65,;-2.19,-3.9,;-3.65,-3.42,;-4.99,-4.19,;-6.32,-3.42,;-6.32,-1.88,;-4.99,-1.11,;-3.65,-1.88,;.26,-2.65,;1.16,-3.9,;2.63,-3.42,;2.63,-1.88,;1.16,-1.41,;3.96,-1.11,;5.29,-1.88,;6.63,-1.11,;6.63,.43,;5.29,1.2,;3.96,.43,;-2.01,2.86,;-3.55,2.86,;-4.32,4.19,;-5.86,4.19,;-6.63,2.86,;-5.86,1.52,;-6.63,.19,;-4.32,1.52,)|
Cc1cc(cs1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.32,wD:14.16,17.23,t:7,(5.29,-1.11,;3.96,-1.88,;2.5,-1.41,;1.59,-2.65,;2.5,-3.9,;3.96,-3.42,;.05,-2.65,;-.86,-3.9,;-2.32,-3.42,;-3.65,-4.19,;-4.99,-3.42,;-4.99,-1.88,;-3.65,-1.11,;-2.32,-1.88,;-.86,-1.41,;.65,-1.09,;1.13,.38,;.1,1.52,;-1.41,1.2,;-1.89,-.26,;-.67,2.86,;-2.21,2.86,;-2.98,4.19,;-4.52,4.19,;-5.29,2.86,;-4.52,1.52,;-5.29,.19,;-2.98,1.52,;1.58,1.92,;2.67,.83,;1.98,3.41,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.27,(2.21,.83,;1.13,1.92,;1.52,3.41,;-.36,1.52,;.67,.38,;.19,-1.09,;-1.31,-1.41,;-2.34,-.26,;-1.87,1.2,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;1.13,-2.65,;1.9,-3.98,;3.44,-3.98,;4.21,-2.65,;5.75,-2.65,;3.44,-1.32,;1.9,-1.32,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.27,(2.21,.83,;1.13,1.92,;1.52,3.41,;-.36,1.52,;.67,.38,;.19,-1.09,;-1.31,-1.41,;-2.34,-.26,;-1.87,1.2,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;1.13,-2.65,;1.9,-3.98,;3.44,-3.98,;4.21,-2.65,;5.75,-2.65,;3.44,-1.32,;1.9,-1.32,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,)|
COc1cccc([C@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1C |r,wU:15.15,7.6,18.32,wD:18.23,(5.75,.02,;4.21,.02,;3.44,-1.32,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,;1.9,-1.32,;1.13,.02,)|
COc1cccc([C@@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1C |r,wU:15.15,18.32,wD:7.6,18.23,(5.75,.02,;4.21,.02,;3.44,-1.32,;4.21,-2.65,;3.44,-3.98,;1.9,-3.98,;1.13,-2.65,;-.41,-2.65,;-1.31,-3.9,;-2.78,-3.42,;-4.11,-4.19,;-5.45,-3.42,;-5.45,-1.88,;-4.11,-1.11,;-2.78,-1.88,;-1.31,-1.41,;.19,-1.09,;.67,.38,;-.36,1.52,;-1.87,1.2,;-2.34,-.26,;-1.13,2.86,;-2.67,2.86,;-3.44,4.19,;-4.98,4.19,;-5.75,2.86,;-4.98,1.52,;-5.75,.19,;-3.44,1.52,;1.13,1.92,;2.21,.83,;1.52,3.41,;1.9,-1.32,;1.13,.02,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.34,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.34,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1cccc(Cc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.34,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1cccc(Cc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.34,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.26,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.26,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccoc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.25,c:10,(3.34,.83,;2.25,1.92,;2.65,3.41,;.76,1.52,;1.79,.38,;1.32,-1.09,;-.19,-1.41,;-1.22,-.26,;-.74,1.2,;.72,-2.65,;-.19,-3.9,;-1.65,-3.42,;-2.99,-4.19,;-4.32,-3.42,;-4.32,-1.88,;-2.99,-1.11,;-1.65,-1.88,;2.26,-2.65,;3.16,-1.41,;4.63,-1.88,;4.63,-3.42,;3.16,-3.9,;-.01,2.86,;-1.55,2.86,;-2.32,4.19,;-3.86,4.19,;-4.63,2.86,;-3.86,1.52,;-4.63,.19,;-2.32,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccsc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.25,c:10,(3.34,.83,;2.25,1.92,;2.65,3.41,;.76,1.52,;1.79,.38,;1.32,-1.09,;-.19,-1.41,;-1.22,-.26,;-.74,1.2,;.72,-2.65,;-.19,-3.9,;-1.65,-3.42,;-2.99,-4.19,;-4.32,-3.42,;-4.32,-1.88,;-2.99,-1.11,;-1.65,-1.88,;2.26,-2.65,;3.16,-1.41,;4.63,-1.88,;4.63,-3.42,;3.16,-3.9,;-.01,2.86,;-1.55,2.86,;-2.32,4.19,;-3.86,4.19,;-4.63,2.86,;-3.86,1.52,;-4.63,.19,;-2.32,1.52,)|
COc1cc(Cl)cc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.35,wD:17.19,20.26,t:10,(5.75,-4.75,;4.21,-4.75,;3.44,-3.42,;4.21,-2.09,;3.44,-.75,;4.21,.58,;1.9,-.75,;1.13,-2.09,;1.9,-3.42,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1cccc(OCc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.35,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1cccc(OCc2ccccc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.35,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(Cl)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.27,c:10,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;4.98,.02,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
Cc1cccc(c1)C1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:18.33,wD:15.17,18.24,t:8,(4.98,.02,;4.21,-1.32,;4.98,-2.65,;4.21,-3.98,;2.67,-3.98,;1.9,-2.65,;2.67,-1.32,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;-.54,-1.41,;.96,-1.09,;1.44,.38,;.41,1.52,;-1.1,1.2,;-1.57,-.26,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,;1.9,1.92,;2.98,.83,;2.29,3.41,)|
COc1cc(OC)cc(c1)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:18.19,21.36,wD:10.10,21.27,(5.75,.58,;4.21,.58,;3.44,-.75,;4.21,-2.09,;3.44,-3.42,;4.21,-4.75,;5.75,-4.75,;1.9,-3.42,;1.13,-2.09,;1.9,-.75,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1cc2ccccc2o1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.30,(2.01,.83,;.92,1.92,;1.32,3.41,;-.57,1.52,;.46,.38,;-.02,-1.09,;-1.52,-1.41,;-2.55,-.26,;-2.08,1.2,;-.62,-2.65,;-1.52,-3.9,;-2.99,-3.42,;-4.32,-4.19,;-5.65,-3.42,;-5.65,-1.88,;-4.32,-1.11,;-2.99,-1.88,;.92,-2.65,;1.83,-1.41,;3.29,-1.88,;4.63,-1.11,;5.96,-1.88,;5.96,-3.42,;4.63,-4.19,;3.29,-3.42,;1.83,-3.9,;-1.34,2.86,;-2.88,2.86,;-3.65,4.19,;-5.19,4.19,;-5.96,2.86,;-5.19,1.52,;-5.96,.19,;-3.65,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1cc2ccccc2o1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.30,(2.01,.83,;.92,1.92,;1.32,3.41,;-.57,1.52,;.46,.38,;-.02,-1.09,;-1.52,-1.41,;-2.55,-.26,;-2.08,1.2,;-.62,-2.65,;-1.52,-3.9,;-2.99,-3.42,;-4.32,-4.19,;-5.65,-3.42,;-5.65,-1.88,;-4.32,-1.11,;-2.99,-1.88,;.92,-2.65,;1.83,-1.41,;3.29,-1.88,;4.63,-1.11,;5.96,-1.88,;5.96,-3.42,;4.63,-4.19,;3.29,-3.42,;1.83,-3.9,;-1.34,2.86,;-2.88,2.86,;-3.65,4.19,;-5.19,4.19,;-5.96,2.86,;-5.19,1.52,;-5.96,.19,;-3.65,1.52,)|
Clc1cccc(N[C@@]2(CC[C@@]3(CC2)C(=Cc2ccccc32)c2cccc(OCC3CC3)c2)C(=O)OCC2CC2)c1 |r,wU:7.36,wD:10.13,7.6,c:14,(-6.8,.18,;-6.03,1.52,;-6.8,2.85,;-6.03,4.18,;-4.49,4.18,;-3.72,2.85,;-2.18,2.85,;-1.41,1.52,;-.38,.37,;-.86,-1.09,;-2.37,-1.41,;-3.4,-.27,;-2.92,1.2,;-1.46,-2.66,;-2.37,-3.91,;-3.83,-3.43,;-5.16,-4.2,;-6.5,-3.43,;-6.5,-1.89,;-5.16,-1.12,;-3.83,-1.89,;.08,-2.66,;.85,-3.99,;2.39,-3.99,;3.16,-2.66,;2.39,-1.33,;3.16,.01,;4.7,.01,;5.47,-1.33,;5.47,-2.87,;6.8,-2.1,;.85,-1.33,;.07,1.91,;.47,3.4,;1.16,.83,;2.65,1.22,;3.05,2.71,;4.14,3.8,;2.65,4.2,;-4.49,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc2occc12)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:10,(2.98,1.92,;1.9,3,;2.29,4.49,;.41,2.61,;1.44,1.46,;.96,-0,;-.54,-.32,;-1.57,.82,;-1.1,2.29,;.36,-1.57,;-.54,-2.82,;-2.01,-2.34,;-3.34,-3.11,;-4.68,-2.34,;-4.68,-.8,;-3.34,-.03,;-2.01,-.8,;1.9,-1.57,;2.67,-.24,;4.21,-.24,;4.98,-1.57,;4.21,-2.9,;4.69,-4.37,;3.44,-5.27,;2.2,-4.37,;2.67,-2.9,;-.36,3.94,;-1.9,3.94,;-2.67,5.27,;-4.21,5.27,;-4.98,3.94,;-4.21,2.61,;-4.98,1.27,;-2.67,2.61,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;4.21,.02,;1.9,-1.32,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(Oc2ccncc2)cc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;4.21,.02,;1.9,-1.32,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1cccc(Cl)c1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.27,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;4.98,.02,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1cccc(Cl)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.27,(2.98,.83,;1.9,1.92,;2.29,3.41,;.41,1.52,;1.44,.38,;.96,-1.09,;-.54,-1.41,;-1.57,-.26,;-1.1,1.2,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;1.9,-2.65,;2.67,-3.98,;4.21,-3.98,;4.98,-2.65,;4.21,-1.32,;4.98,.02,;2.67,-1.32,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,)|
Cc1cccc(c1)C1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:15.16,18.33,wD:18.24,(4.98,.02,;4.21,-1.32,;4.98,-2.65,;4.21,-3.98,;2.67,-3.98,;1.9,-2.65,;2.67,-1.32,;.36,-2.65,;-.54,-3.9,;-2.01,-3.42,;-3.34,-4.19,;-4.68,-3.42,;-4.68,-1.88,;-3.34,-1.11,;-2.01,-1.88,;-.54,-1.41,;.96,-1.09,;1.44,.38,;.41,1.52,;-1.1,1.2,;-1.57,-.26,;-.36,2.86,;-1.9,2.86,;-2.67,4.19,;-4.21,4.19,;-4.98,2.86,;-4.21,1.52,;-4.98,.19,;-2.67,1.52,;1.9,1.92,;2.98,.83,;2.29,3.41,)|
COc1cc(Cl)cc(c1)C1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.18,20.35,wD:20.26,(5.75,-4.75,;4.21,-4.75,;3.44,-3.42,;4.21,-2.09,;3.44,-.75,;4.21,.58,;1.9,-.75,;1.13,-2.09,;1.9,-3.42,;-.41,-2.09,;-1.31,-3.33,;-2.78,-2.86,;-4.11,-3.63,;-5.45,-2.86,;-5.45,-1.32,;-4.11,-.55,;-2.78,-1.32,;-1.31,-.84,;.19,-.52,;.67,.94,;-.36,2.09,;-1.87,1.77,;-2.34,.3,;-1.13,3.42,;-2.67,3.42,;-3.44,4.75,;-4.98,4.75,;-5.75,3.42,;-4.98,2.09,;-5.75,.75,;-3.44,2.09,;1.13,2.49,;2.21,1.4,;1.52,3.97,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(OCc2ccncc2)cc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.35,c:10,(-.48,.83,;-1.57,1.92,;-1.17,3.41,;-3.06,1.52,;-2.03,.38,;-2.5,-1.09,;-4.01,-1.41,;-5.04,-.26,;-4.56,1.2,;-3.1,-2.65,;-4.01,-3.9,;-5.47,-3.42,;-6.81,-4.19,;-8.14,-3.42,;-8.14,-1.88,;-6.81,-1.11,;-5.47,-1.88,;-1.56,-2.65,;-.79,-3.98,;.75,-3.98,;1.52,-2.65,;3.06,-2.65,;3.83,-1.32,;5.37,-1.32,;6.14,-2.65,;7.68,-2.65,;8.45,-1.32,;7.68,.02,;6.14,.02,;.75,-1.32,;-.79,-1.32,;-3.83,2.86,;-5.37,2.86,;-6.14,4.19,;-7.68,4.19,;-8.45,2.86,;-7.68,1.52,;-8.45,.19,;-6.14,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(OCc2cccnc2)cc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.35,c:10,(-.56,.86,;-1.65,1.95,;-1.25,3.43,;-3.13,1.55,;-2.05,.46,;-2.44,-1.03,;-3.93,-1.43,;-5.02,-.34,;-4.62,1.15,;-3.03,-2.67,;-3.93,-3.92,;-5.4,-3.44,;-6.73,-4.21,;-8.06,-3.44,;-8.06,-1.9,;-6.73,-1.13,;-5.4,-1.9,;-1.49,-2.67,;-.72,-4.01,;.82,-4.01,;1.59,-2.67,;3.13,-2.67,;3.9,-1.34,;5.44,-1.34,;6.21,-2.67,;7.75,-2.67,;8.52,-1.34,;7.75,-.01,;6.21,-.01,;.82,-1.34,;-.72,-1.34,;-3.9,2.88,;-5.44,2.88,;-6.21,4.21,;-7.75,4.21,;-8.52,2.88,;-7.75,1.55,;-8.52,.21,;-6.21,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1ccc(Oc2cccnc2)cc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:10,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;1.98,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,9.19,wD:3.35,(-.56,.86,;-1.65,1.95,;-1.25,3.43,;-3.13,1.55,;-2.05,.46,;-2.44,-1.03,;-3.93,-1.43,;-5.02,-.34,;-4.62,1.15,;-3.03,-2.67,;-3.93,-3.92,;-5.4,-3.44,;-6.73,-4.21,;-8.06,-3.44,;-8.06,-1.9,;-6.73,-1.13,;-5.4,-1.9,;-1.49,-2.67,;-.72,-4.01,;.82,-4.01,;1.59,-2.67,;3.13,-2.67,;3.9,-1.34,;5.44,-1.34,;6.21,-2.67,;7.75,-2.67,;8.52,-1.34,;7.75,-.01,;6.21,-.01,;.82,-1.34,;-.72,-1.34,;-3.9,2.88,;-5.44,2.88,;-6.21,4.21,;-7.75,4.21,;-8.52,2.88,;-7.75,1.55,;-8.52,.21,;-6.21,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.35,9.19,(-.56,.86,;-1.65,1.95,;-1.25,3.43,;-3.13,1.55,;-2.05,.46,;-2.44,-1.03,;-3.93,-1.43,;-5.02,-.34,;-4.62,1.15,;-3.03,-2.67,;-3.93,-3.92,;-5.4,-3.44,;-6.73,-4.21,;-8.06,-3.44,;-8.06,-1.9,;-6.73,-1.13,;-5.4,-1.9,;-1.49,-2.67,;-.72,-4.01,;.82,-4.01,;1.59,-2.67,;3.13,-2.67,;3.9,-1.34,;5.44,-1.34,;6.21,-2.67,;7.75,-2.67,;8.52,-1.34,;7.75,-.01,;6.21,-.01,;.82,-1.34,;-.72,-1.34,;-3.9,2.88,;-5.44,2.88,;-6.21,4.21,;-7.75,4.21,;-8.52,2.88,;-7.75,1.55,;-8.52,.21,;-6.21,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1cccc(OCC2CC2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,9.19,wD:3.32,(1.09,.86,;-0,1.95,;.4,3.43,;-1.49,1.55,;-.4,.46,;-.8,-1.03,;-2.29,-1.43,;-3.38,-.34,;-2.98,1.15,;-1.38,-2.67,;-2.29,-3.92,;-3.75,-3.44,;-5.09,-4.21,;-6.42,-3.44,;-6.42,-1.9,;-5.09,-1.13,;-3.75,-1.9,;.16,-2.67,;.93,-4.01,;2.47,-4.01,;3.24,-2.67,;2.47,-1.34,;3.24,-.01,;4.78,-.01,;5.55,-1.34,;5.55,-2.88,;6.88,-2.11,;.93,-1.34,;-2.26,2.88,;-3.8,2.88,;-4.57,4.21,;-6.11,4.21,;-6.88,2.88,;-6.11,1.55,;-6.88,.21,;-4.57,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1cccc(OCC2CC2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.32,9.19,(1.09,.86,;-0,1.95,;.4,3.43,;-1.49,1.55,;-.4,.46,;-.8,-1.03,;-2.29,-1.43,;-3.38,-.34,;-2.98,1.15,;-1.38,-2.67,;-2.29,-3.92,;-3.75,-3.44,;-5.09,-4.21,;-6.42,-3.44,;-6.42,-1.9,;-5.09,-1.13,;-3.75,-1.9,;.16,-2.67,;.93,-4.01,;2.47,-4.01,;3.24,-2.67,;2.47,-1.34,;3.24,-.01,;4.78,-.01,;5.55,-1.34,;5.55,-2.88,;6.88,-2.11,;.93,-1.34,;-2.26,2.88,;-3.8,2.88,;-4.57,4.21,;-6.11,4.21,;-6.88,2.88,;-6.11,1.55,;-6.88,.21,;-4.57,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1ccc(o1)-c1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.32,9.19,(1.26,.86,;.17,1.95,;.57,3.43,;-1.31,1.55,;-.23,.46,;-.62,-1.03,;-2.11,-1.43,;-3.2,-.34,;-2.8,1.15,;-1.21,-2.67,;-2.11,-3.92,;-3.58,-3.44,;-4.91,-4.21,;-6.24,-3.44,;-6.24,-1.9,;-4.91,-1.13,;-3.58,-1.9,;.33,-2.67,;1.24,-3.92,;2.7,-3.44,;2.7,-1.9,;1.24,-1.43,;4.04,-1.13,;5.37,-1.9,;6.7,-1.13,;6.7,.41,;5.37,1.18,;4.04,.41,;-2.08,2.88,;-3.62,2.88,;-4.39,4.21,;-5.93,4.21,;-6.7,2.88,;-5.93,1.55,;-6.7,.21,;-4.39,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccc(o1)-c1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,9.19,wD:3.32,(1.26,.86,;.17,1.95,;.57,3.43,;-1.31,1.55,;-.23,.46,;-.62,-1.03,;-2.11,-1.43,;-3.2,-.34,;-2.8,1.15,;-1.21,-2.67,;-2.11,-3.92,;-3.58,-3.44,;-4.91,-4.21,;-6.24,-3.44,;-6.24,-1.9,;-4.91,-1.13,;-3.58,-1.9,;.33,-2.67,;1.24,-3.92,;2.7,-3.44,;2.7,-1.9,;1.24,-1.43,;4.04,-1.13,;5.37,-1.9,;6.7,-1.13,;6.7,.41,;5.37,1.18,;4.04,.41,;-2.08,2.88,;-3.62,2.88,;-4.39,4.21,;-5.93,4.21,;-6.7,2.88,;-5.93,1.55,;-6.7,.21,;-4.39,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.34,9.19,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;1.98,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,9.19,wD:3.34,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;1.98,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C1=CCN(CC1)C(=O)OC(C)(C)C)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.34,c:11,t:21,(1.7,1.25,;.21,.86,;-.88,1.95,;-.48,3.43,;-2.36,1.55,;-1.28,.46,;-1.67,-1.03,;-3.16,-1.43,;-4.25,-.34,;-3.85,1.15,;-2.26,-2.67,;-3.16,-3.92,;-4.63,-3.44,;-5.96,-4.21,;-7.29,-3.44,;-7.29,-1.9,;-5.96,-1.13,;-4.63,-1.9,;-.72,-2.67,;.05,-4.01,;1.59,-4.01,;2.36,-2.67,;1.59,-1.34,;.05,-1.34,;3.9,-2.67,;4.67,-4.01,;4.67,-1.34,;6.21,-1.34,;6.98,-.01,;6.98,-2.67,;7.75,-1.34,;-3.13,2.88,;-4.67,2.88,;-5.44,4.21,;-6.98,4.21,;-7.75,2.88,;-6.98,1.55,;-7.75,.21,;-5.44,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cc2c(cccc2o1)-c1ccncc1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.37,c:10,(1.93,.86,;.84,1.95,;1.24,3.43,;-.65,1.55,;.44,.46,;.04,-1.03,;-1.44,-1.43,;-2.53,-.34,;-2.14,1.15,;-.54,-2.67,;-1.44,-3.92,;-2.91,-3.44,;-4.24,-4.21,;-5.58,-3.44,;-5.58,-1.9,;-4.24,-1.13,;-2.91,-1.9,;1,-2.67,;1.91,-1.43,;3.37,-1.9,;4.7,-1.13,;6.04,-1.9,;6.04,-3.44,;4.7,-4.21,;3.37,-3.44,;1.91,-3.92,;4.7,.41,;6.04,1.18,;6.04,2.72,;4.7,3.49,;3.37,2.72,;3.37,1.18,;-1.42,2.88,;-2.96,2.88,;-3.73,4.21,;-5.27,4.21,;-6.04,2.88,;-5.27,1.55,;-6.04,.21,;-3.73,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(OCc2ccncc2)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.35,c:10,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;1.98,-1.34,;2.75,-.01,;4.29,-.01,;5.06,-1.34,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(OCc2cccnc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.35,c:10,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;1.98,-1.34,;2.75,-.01,;4.29,-.01,;5.06,-1.34,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)c1ccc(Oc2ccncc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,9.19,3.2,wD:3.34,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;1.98,-4.01,;.44,-4.01,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)c1ccc(Oc2ccncc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.34,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;1.98,-4.01,;.44,-4.01,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
COc1ccc2C=C(c3cccc(C)c3)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:15.34,18.31,wD:18.22,t:6,(-6.16,-1.9,;-4.83,-1.13,;-3.49,-1.9,;-3.49,-3.44,;-2.16,-4.21,;-.83,-3.44,;.64,-3.92,;1.54,-2.67,;3.08,-2.67,;3.85,-4.01,;5.39,-4.01,;6.16,-2.67,;5.39,-1.34,;6.16,-.01,;3.85,-1.34,;.64,-1.43,;2.12,-1.03,;2.52,.46,;1.43,1.55,;-.05,1.15,;-.45,-.34,;.66,2.88,;-.88,2.88,;-1.65,4.21,;-3.19,4.21,;-3.96,2.88,;-3.19,1.55,;-3.96,.21,;-1.65,1.55,;2.92,1.95,;4.01,.86,;3.32,3.43,;-.83,-1.9,;-2.16,-1.13,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1ccc(Oc2cccnc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.34,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;1.98,-4.01,;.44,-4.01,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1ccc(O)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.27,(2.14,.86,;1.05,1.95,;1.45,3.43,;-.44,1.55,;.65,.46,;.25,-1.03,;-1.24,-1.43,;-2.33,-.34,;-1.93,1.15,;-.33,-2.67,;-1.24,-3.92,;-2.7,-3.44,;-4.03,-4.21,;-5.37,-3.44,;-5.37,-1.9,;-4.03,-1.13,;-2.7,-1.9,;1.21,-2.67,;1.98,-1.34,;3.52,-1.34,;4.29,-2.67,;5.83,-2.67,;3.52,-4.01,;1.98,-4.01,;-1.21,2.88,;-2.75,2.88,;-3.52,4.21,;-5.06,4.21,;-5.83,2.88,;-5.06,1.55,;-5.83,.21,;-3.52,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1ccc(OCc2ccncc2)cc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.35,(-.56,.86,;-1.65,1.95,;-1.25,3.43,;-3.13,1.55,;-2.05,.46,;-2.44,-1.03,;-3.93,-1.43,;-5.02,-.34,;-4.62,1.15,;-3.03,-2.67,;-3.93,-3.92,;-5.4,-3.44,;-6.73,-4.21,;-8.06,-3.44,;-8.06,-1.9,;-6.73,-1.13,;-5.4,-1.9,;-1.49,-2.67,;-.72,-1.34,;.82,-1.34,;1.59,-2.67,;3.13,-2.67,;3.9,-1.34,;5.44,-1.34,;6.21,-2.67,;7.75,-2.67,;8.52,-1.34,;7.75,-.01,;6.21,-.01,;.82,-4.01,;-.72,-4.01,;-3.9,2.88,;-5.44,2.88,;-6.21,4.21,;-7.75,4.21,;-8.52,2.88,;-7.75,1.55,;-8.52,.21,;-6.21,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1cccc(OCc2cccnc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.35,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;1.98,-1.34,;2.75,-.01,;4.29,-.01,;5.06,-1.34,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1cccc(OCc2ccncc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.35,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;1.98,-1.34,;2.75,-.01,;4.29,-.01,;5.06,-1.34,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1cccc(Oc2cccnc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.34,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;1.98,-1.34,;2.75,-.01,;4.29,-.01,;5.06,-1.34,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;.44,-1.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1cc2cc(ccc2o1)-c1ccncc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.37,(.6,.86,;-.49,1.95,;-.09,3.43,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-.33,-2.67,;.57,-1.43,;2.04,-1.9,;3.37,-1.13,;4.71,-1.9,;4.71,-3.44,;3.37,-4.21,;2.04,-3.44,;.57,-3.92,;6.04,-1.13,;6.04,.41,;7.37,1.18,;8.71,.41,;8.71,-1.13,;7.37,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)c1cccc(Oc2ccncc2)c1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.34,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)c1cccc(Oc2ccncc2)c1)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:10,(.67,.83,;-.41,1.92,;-.02,3.41,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.9,-1.32,;2.67,.02,;4.21,.02,;4.98,-1.32,;6.52,-1.32,;7.29,.02,;6.52,1.35,;4.98,1.35,;.36,-1.32,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
COc1ccc2CC(c3cccc(Oc4ccccc4)c3)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:21.41,24.38,wD:24.29,(-8.47,-1.88,;-7.14,-1.11,;-5.8,-1.88,;-5.8,-3.42,;-4.47,-4.19,;-3.14,-3.42,;-1.67,-3.9,;-.77,-2.65,;.77,-2.65,;1.54,-3.98,;3.08,-3.98,;3.85,-2.65,;3.08,-1.32,;3.85,.02,;5.39,.02,;6.16,-1.32,;7.7,-1.32,;8.47,.02,;7.7,1.35,;6.16,1.35,;1.54,-1.32,;-1.67,-1.41,;-.17,-1.09,;.31,.38,;-.72,1.52,;-2.23,1.2,;-2.7,-.26,;-1.49,2.86,;-3.03,2.86,;-3.8,4.19,;-5.34,4.19,;-6.11,2.86,;-5.34,1.52,;-6.11,.19,;-3.8,1.52,;.77,1.92,;1.86,.83,;1.16,3.41,;-3.14,-1.88,;-4.47,-1.11,)|
COCCOc1ccc2CC(c3cccc(Oc4ccccc4)c3)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:24.44,27.41,wD:27.32,(-10.47,-1.11,;-9.14,-1.88,;-7.81,-1.11,;-6.47,-1.88,;-5.14,-1.11,;-3.8,-1.88,;-3.8,-3.42,;-2.47,-4.19,;-1.14,-3.42,;.33,-3.9,;1.23,-2.65,;2.77,-2.65,;3.54,-3.98,;5.08,-3.98,;5.85,-2.65,;5.08,-1.32,;5.85,.02,;7.39,.02,;8.16,-1.32,;9.7,-1.32,;10.47,.02,;9.7,1.35,;8.16,1.35,;3.54,-1.32,;.33,-1.41,;1.83,-1.09,;2.31,.38,;1.28,1.52,;-.23,1.2,;-.7,-.26,;.51,2.86,;-1.03,2.86,;-1.8,4.19,;-3.34,4.19,;-4.11,2.86,;-3.34,1.52,;-4.11,.19,;-1.8,1.52,;2.77,1.92,;3.86,.83,;3.17,3.41,;-1.14,-1.88,;-2.47,-1.11,)|
CC(C)COc1ccc2CC(c3cccc(Oc4ccccc4)c3)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:24.44,27.41,wD:27.32,(-9.81,-1.88,;-8.47,-1.11,;-8.47,.43,;-7.14,-1.88,;-5.8,-1.11,;-4.47,-1.88,;-4.47,-3.42,;-3.14,-4.19,;-1.8,-3.42,;-.34,-3.9,;.57,-2.65,;2.11,-2.65,;2.88,-3.98,;4.42,-3.98,;5.19,-2.65,;4.42,-1.32,;5.19,.02,;6.73,.02,;7.5,-1.32,;9.04,-1.32,;9.81,.02,;9.04,1.35,;7.5,1.35,;2.88,-1.32,;-.34,-1.41,;1.17,-1.09,;1.64,.38,;.61,1.52,;-.89,1.2,;-1.37,-.26,;-.16,2.86,;-1.7,2.86,;-2.47,4.19,;-4.01,4.19,;-4.78,2.86,;-4.01,1.52,;-4.78,.19,;-2.47,1.52,;2.1,1.92,;3.19,.83,;2.5,3.41,;-1.8,-1.88,;-3.14,-1.11,)|
CCOc1ccc2CC(c3cccc(Oc4ccccc4)c3)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:22.42,25.39,wD:25.30,(-9.14,-1.11,;-7.81,-1.88,;-6.47,-1.11,;-5.14,-1.88,;-5.14,-3.42,;-3.8,-4.19,;-2.47,-3.42,;-1.01,-3.9,;-.1,-2.65,;1.44,-2.65,;2.21,-3.98,;3.75,-3.98,;4.52,-2.65,;3.75,-1.32,;4.52,.02,;6.06,.02,;6.83,-1.32,;8.37,-1.32,;9.14,.02,;8.37,1.35,;6.83,1.35,;2.21,-1.32,;-1.01,-1.41,;.5,-1.09,;.98,.38,;-.05,1.52,;-1.56,1.2,;-2.04,-.26,;-.82,2.86,;-2.36,2.86,;-3.13,4.19,;-4.67,4.19,;-5.44,2.86,;-4.67,1.52,;-5.44,.19,;-3.13,1.52,;1.43,1.92,;2.52,.83,;1.83,3.41,;-2.47,-1.88,;-3.8,-1.11,)|
CC(C)Oc1ccc2CC(c3cccc(Oc4ccccc4)c3)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:23.43,26.40,wD:26.31,(-9.14,-1.11,;-7.81,-1.88,;-7.81,-3.42,;-6.47,-1.11,;-5.14,-1.88,;-5.14,-3.42,;-3.8,-4.19,;-2.47,-3.42,;-1.01,-3.9,;-.1,-2.65,;1.44,-2.65,;2.21,-3.98,;3.75,-3.98,;4.52,-2.65,;3.75,-1.32,;4.52,.02,;6.06,.02,;6.83,-1.32,;8.37,-1.32,;9.14,.02,;8.37,1.35,;6.83,1.35,;2.21,-1.32,;-1.01,-1.41,;.5,-1.09,;.98,.38,;-.05,1.52,;-1.56,1.2,;-2.04,-.26,;-.82,2.86,;-2.36,2.86,;-3.13,4.19,;-4.67,4.19,;-5.44,2.86,;-4.67,1.52,;-5.44,.19,;-3.13,1.52,;1.43,1.92,;2.52,.83,;1.83,3.41,;-2.47,-1.88,;-3.8,-1.11,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCCc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:21,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCCc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOCc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:21,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCOCc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCSc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.29,4.3,wD:4.31,(2.1,2.29,;.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCS(=O)(=O)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.30,3.2,wD:3.32,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;1.13,-2.65,;1.9,-1.32,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCSc1ccncc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.29,4.3,wD:4.31,(2.1,2.29,;.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-3.98,;1.9,-3.98,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(Cc1ccccc21)OCCCc1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:3.30,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-.17,-2.55,;.6,-3.89,;2.14,-3.89,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
Cc1cnccc1\C=C\COC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.20,22.37,wD:22.28,(4.45,.12,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;4.45,-2.55,;2.91,-2.55,;2.14,-3.89,;.6,-3.89,;-.17,-2.55,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C(=O)NCCc1ccncc1)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.32,c:11,(2.18,2.44,;.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-.17,-2.55,;.6,-3.89,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(=Cc1ccccc21)C(=O)N(C)CCc1ccncc1)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.33,c:11,(2.18,2.44,;.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-.17,-2.55,;.6,-3.89,;.6,-1.22,;-.17,.12,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
CN(CCc1ccncc1)C(=O)C1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,wD:23.29,(-.17,.12,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-.17,-2.55,;.6,-3.89,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](Cc1ccccc21)C(=O)NCCc1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,9.19,wD:3.31,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-.17,-2.55,;.6,-3.89,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](Cc1ccccc21)C(=O)NCCc1ccccc1)Nc1cccc(Cl)c1 |r,wU:6.17,3.2,wD:9.19,3.31,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-.17,-2.55,;.6,-3.89,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
CN(CCc1ccccc1)C(=O)[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,12.12,wD:23.29,(-.17,.12,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-.17,-2.55,;.6,-3.89,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,)|
CN(CCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,wD:12.12,23.29,(-.17,.12,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-.17,-2.55,;.6,-3.89,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:21,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1ccccc1F)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-3.89,;6.76,-3.89,;7.53,-2.55,;6.76,-1.22,;5.22,-1.22,;4.45,.12,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
COC(=O)[C@]1(CC[C@@]2(CC1)N(C[C@@H](C)CO)Cc1cc(F)ccc21)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,12.13,4.26,(4.99,1.8,;3.5,1.4,;2.41,2.49,;2.81,3.97,;.92,2.09,;1.95,.94,;1.48,-.52,;-.03,-.84,;-1.06,.3,;-.58,1.77,;.88,-2.09,;2.42,-2.09,;3.19,-3.42,;2.42,-4.75,;4.73,-3.42,;5.5,-2.09,;-.03,-3.33,;-1.49,-2.86,;-2.83,-3.63,;-4.16,-2.86,;-5.5,-3.63,;-4.16,-1.32,;-2.83,-.55,;-1.49,-1.32,;.15,3.42,;-1.39,3.42,;-2.16,4.75,;-3.7,4.75,;-4.47,3.42,;-3.7,2.09,;-4.47,.75,;-2.16,2.09,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1cccc(F)c1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-3.89,;6.76,-3.89,;7.53,-2.55,;6.76,-1.22,;7.53,.12,;5.22,-1.22,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1ccc(F)cc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.08,1.67,;-1.26,2.44,;-1.26,3.98,;-2.59,1.67,;-1.5,.58,;-1.9,-.91,;-3.39,-1.31,;-4.48,-.22,;-4.08,1.27,;-2.48,-2.55,;-.94,-2.55,;-.17,-1.22,;1.37,-1.22,;2.14,-2.55,;3.68,-2.55,;4.45,-3.89,;5.99,-3.89,;6.76,-2.55,;8.3,-2.55,;5.99,-1.22,;4.45,-1.22,;-3.39,-3.8,;-4.85,-3.32,;-6.19,-4.09,;-7.52,-3.32,;-7.52,-1.78,;-6.19,-1.01,;-4.85,-1.78,;-3.68,2.76,;-5.22,2.76,;-5.99,4.09,;-7.53,4.09,;-8.3,2.76,;-7.53,1.42,;-8.3,.09,;-5.99,1.42,)|
COc1ccccc1CCOCC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.38,wD:20.22,23.29,t:13,(2.91,.12,;4.45,.12,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;4.45,-2.55,;2.91,-2.55,;2.14,-1.22,;.6,-1.22,;-.17,-2.55,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,)|
Cc1ccccc1CCOCC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.37,wD:19.21,22.28,t:12,(4.45,.12,;5.22,-1.22,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;4.45,-2.55,;2.91,-2.55,;2.14,-1.22,;.6,-1.22,;-.17,-2.55,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,)|
Cc1ccc(CCOCC2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1 |r,wU:20.34,wD:17.18,20.25,t:9,(8.3,-2.55,;6.76,-2.55,;5.99,-3.89,;4.45,-3.89,;3.68,-2.55,;2.14,-2.55,;1.37,-1.22,;-.17,-1.22,;-.94,-2.55,;-2.48,-2.55,;-3.39,-3.8,;-4.85,-3.32,;-6.19,-4.09,;-7.52,-3.32,;-7.52,-1.78,;-6.19,-1.01,;-4.85,-1.78,;-3.39,-1.31,;-1.9,-.91,;-1.5,.58,;-2.59,1.67,;-4.08,1.27,;-4.48,-.22,;-3.68,2.76,;-5.22,2.76,;-5.99,4.09,;-7.53,4.09,;-8.3,2.76,;-7.53,1.42,;-8.3,.09,;-5.99,1.42,;-1.26,2.44,;.08,1.67,;-1.26,3.98,;4.45,-1.22,;5.99,-1.22,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1cccc(Cl)c1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-3.89,;6.76,-3.89,;7.53,-2.55,;6.76,-1.22,;7.53,.12,;5.22,-1.22,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
COc1cccc(CCOCC2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1 |r,wU:22.36,wD:19.20,22.27,t:11,(6.76,1.45,;7.53,.12,;6.76,-1.22,;7.53,-2.55,;6.76,-3.89,;5.22,-3.89,;4.45,-2.55,;2.91,-2.55,;2.14,-1.22,;.6,-1.22,;-.17,-2.55,;-1.71,-2.55,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.62,-1.31,;-1.13,-.91,;-.73,.58,;-1.82,1.67,;-3.31,1.27,;-3.71,-.22,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,;-.49,2.44,;.85,1.67,;-.49,3.98,;5.22,-1.22,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1ccccc1Cl)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-3.89,;6.76,-3.89,;7.53,-2.55,;6.76,-1.22,;5.22,-1.22,;4.45,.12,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(COCCc1ccc(Cl)cc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.31,c:22,(.08,1.67,;-1.26,2.44,;-1.26,3.98,;-2.59,1.67,;-1.5,.58,;-1.9,-.91,;-3.39,-1.31,;-4.48,-.22,;-4.08,1.27,;-2.48,-2.55,;-.94,-2.55,;-.17,-1.22,;1.37,-1.22,;2.14,-2.55,;3.68,-2.55,;4.45,-3.89,;5.99,-3.89,;6.76,-2.55,;8.3,-2.55,;5.99,-1.22,;4.45,-1.22,;-3.39,-3.8,;-4.85,-3.32,;-6.19,-4.09,;-7.52,-3.32,;-7.52,-1.78,;-6.19,-1.01,;-4.85,-1.78,;-3.68,2.76,;-5.22,2.76,;-5.99,4.09,;-7.53,4.09,;-8.3,2.76,;-7.53,1.42,;-8.3,.09,;-5.99,1.42,)|
COc1ccc(CCOCC2=Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1 |r,wU:21.35,wD:18.19,21.26,t:10,(8.68,-1.22,;7.91,-2.55,;6.37,-2.55,;5.6,-3.89,;4.06,-3.89,;3.29,-2.55,;1.75,-2.55,;.98,-1.22,;-.56,-1.22,;-1.33,-2.55,;-2.87,-2.55,;-3.77,-3.8,;-5.24,-3.32,;-6.57,-4.09,;-7.9,-3.32,;-7.9,-1.78,;-6.57,-1.01,;-5.24,-1.78,;-3.77,-1.31,;-2.28,-.91,;-1.89,.58,;-2.97,1.67,;-4.46,1.27,;-4.86,-.22,;-4.06,2.76,;-5.6,2.76,;-6.37,4.09,;-7.91,4.09,;-8.68,2.76,;-7.91,1.42,;-8.68,.09,;-6.37,1.42,;-1.64,2.44,;-.31,1.67,;-1.64,3.98,;4.06,-1.22,;5.6,-1.22,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.30,c:21,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-3.89,;6.76,-3.89,;7.53,-2.55,;6.76,-1.22,;5.22,-1.22,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
Cc1c[nH]c2cccc(OCCC[C@@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:21.21,24.38,wD:24.29,13.12,(3.1,.52,;4.58,.12,;5.83,1.03,;7.07,.12,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-4.01,;.44,-4.01,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(.85,1.67,;-.49,2.44,;-.49,3.98,;-1.82,1.67,;-.73,.58,;-1.13,-.91,;-2.62,-1.31,;-3.71,-.22,;-3.31,1.27,;-1.71,-2.55,;-.17,-2.55,;.6,-1.22,;2.14,-1.22,;2.91,-2.55,;4.45,-2.55,;5.22,-3.89,;6.76,-3.89,;7.53,-2.55,;6.76,-1.22,;5.22,-1.22,;-2.62,-3.8,;-4.08,-3.32,;-5.42,-4.09,;-6.75,-3.32,;-6.75,-1.78,;-5.42,-1.01,;-4.08,-1.78,;-2.91,2.76,;-4.45,2.76,;-5.22,4.09,;-6.76,4.09,;-7.53,2.76,;-6.76,1.42,;-7.53,.09,;-5.22,1.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccc(F)cc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.29,3.2,wD:3.31,(.08,1.67,;-1.26,2.44,;-1.26,3.98,;-2.59,1.67,;-1.5,.58,;-1.9,-.91,;-3.39,-1.31,;-4.48,-.22,;-4.08,1.27,;-2.48,-2.55,;-.94,-2.55,;-.17,-1.22,;1.37,-1.22,;2.14,-2.55,;3.68,-2.55,;4.45,-3.89,;5.99,-3.89,;6.76,-2.55,;8.3,-2.55,;5.99,-1.22,;4.45,-1.22,;-3.39,-3.8,;-4.85,-3.32,;-6.19,-4.09,;-7.52,-3.32,;-7.52,-1.78,;-6.19,-1.01,;-4.85,-1.78,;-3.68,2.76,;-5.22,2.76,;-5.99,4.09,;-7.53,4.09,;-8.3,2.76,;-7.53,1.42,;-8.3,.09,;-5.99,1.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccncc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.28,wD:3.30,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1cccc(F)c1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.29,wD:3.31,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.37,-.01,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccc3OCOc3c1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.32,wD:3.34,(-.15,1.55,;-1.48,2.32,;-1.48,3.86,;-2.81,1.55,;-1.72,.46,;-2.12,-1.03,;-3.61,-1.43,;-4.7,-.34,;-4.3,1.15,;-2.7,-2.67,;-1.16,-2.67,;-.39,-1.34,;1.15,-1.34,;1.92,-2.67,;3.46,-2.67,;4.23,-4.01,;5.77,-4.01,;6.54,-2.67,;8.04,-2.35,;8.2,-.82,;6.8,-.2,;5.77,-1.34,;4.23,-1.34,;-3.61,-3.92,;-5.07,-3.44,;-6.41,-4.21,;-7.74,-3.44,;-7.74,-1.9,;-6.41,-1.13,;-5.07,-1.9,;-3.58,2.88,;-5.12,2.88,;-5.89,4.21,;-7.43,4.21,;-8.2,2.88,;-7.43,1.55,;-8.2,.21,;-5.89,1.55,)|
Nc1cc(Cl)c(OCCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c(Cl)c1 |r,wU:21.35,18.18,wD:21.26,(8.14,-.01,;6.6,-.01,;5.83,1.33,;4.29,1.33,;3.52,2.66,;3.52,-.01,;1.98,-.01,;1.21,-1.34,;-.33,-1.34,;-1.1,-2.67,;-2.64,-2.67,;-3.55,-3.92,;-5.01,-3.44,;-6.34,-4.21,;-7.68,-3.44,;-7.68,-1.9,;-6.34,-1.13,;-5.01,-1.9,;-3.55,-1.43,;-2.06,-1.03,;-1.66,.46,;-2.75,1.55,;-4.24,1.15,;-4.64,-.34,;-3.52,2.88,;-5.06,2.88,;-5.83,4.21,;-7.37,4.21,;-8.14,2.88,;-7.37,1.55,;-8.14,.21,;-5.83,1.55,;-1.42,2.32,;-.08,1.55,;-1.42,3.86,;4.29,-1.34,;3.52,-2.67,;5.83,-1.34,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1cc(F)cc(Cl)c1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.30,wD:3.32,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-.01,;4.29,-.01,;5.06,-1.34,;6.6,-1.34,;7.37,-2.67,;7.37,-.01,;6.6,1.33,;7.37,2.66,;5.06,1.33,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccccc1Cl)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.29,wD:3.31,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;5.06,-1.34,;4.29,-.01,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccncc1F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.29,wD:3.31,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;5.06,-1.34,;4.29,-.01,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1n[nH]c3CCCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.32,wD:3.34,(.47,1.55,;-.86,2.32,;-.86,3.86,;-2.2,1.55,;-1.11,.46,;-1.51,-1.03,;-2.99,-1.43,;-4.08,-.34,;-3.68,1.15,;-2.09,-2.67,;-.55,-2.67,;.22,-1.34,;1.76,-1.34,;2.53,-2.67,;4.07,-2.67,;4.98,-3.92,;6.44,-3.44,;6.44,-1.9,;7.59,-.87,;7.27,.63,;5.8,1.11,;4.66,.08,;4.98,-1.43,;-2.99,-3.92,;-4.46,-3.44,;-5.79,-4.21,;-7.13,-3.44,;-7.13,-1.9,;-5.79,-1.13,;-4.46,-1.9,;-2.97,2.88,;-4.51,2.88,;-5.28,4.21,;-6.82,4.21,;-7.59,2.88,;-6.82,1.55,;-7.59,.21,;-5.28,1.55,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOS(C)(=O)=O)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:4.3,wD:4.28,7.10,c:19,(2.86,1.25,;1.37,.86,;.28,1.95,;.68,3.43,;-1.21,1.55,;-.12,.46,;-.52,-1.03,;-2.01,-1.43,;-3.1,-.34,;-2.7,1.15,;-1.1,-2.67,;.44,-2.67,;1.21,-4.01,;2.75,-4.01,;3.52,-2.67,;5.06,-2.67,;5.83,-1.34,;6.6,-2.67,;5.83,-4.01,;-2.01,-3.92,;-3.47,-3.44,;-4.8,-4.21,;-6.14,-3.44,;-6.14,-1.9,;-4.8,-1.13,;-3.47,-1.9,;-1.98,2.88,;-3.52,2.88,;-4.29,4.21,;-5.83,4.21,;-6.6,2.88,;-5.83,1.55,;-6.6,.21,;-4.29,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1cccc3C(=O)CCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.33,wD:3.35,(.1,1.55,;-1.23,2.32,;-1.23,3.86,;-2.56,1.55,;-1.48,.46,;-1.87,-1.03,;-3.36,-1.43,;-4.45,-.34,;-4.05,1.15,;-2.46,-2.67,;-.92,-2.67,;-.15,-1.34,;1.39,-1.34,;2.16,-2.67,;3.7,-2.67,;4.47,-4.01,;6.01,-4.01,;6.78,-2.67,;6.01,-1.34,;6.49,.12,;7.95,.6,;5.24,1.03,;4,.12,;4.47,-1.34,;-3.36,-3.92,;-4.83,-3.44,;-6.16,-4.21,;-7.49,-3.44,;-7.49,-1.9,;-6.16,-1.13,;-4.83,-1.9,;-3.33,2.88,;-4.87,2.88,;-5.64,4.21,;-7.18,4.21,;-7.95,2.88,;-7.18,1.55,;-7.95,.21,;-5.64,1.55,)|
Cc1cc(OCCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)ccc1Cl |r,wU:19.33,16.16,wD:19.24,(6.6,2.66,;5.83,1.33,;4.29,1.33,;3.52,-.01,;1.98,-.01,;1.21,-1.34,;-.33,-1.34,;-1.1,-2.67,;-2.64,-2.67,;-3.55,-3.92,;-5.01,-3.44,;-6.34,-4.21,;-7.68,-3.44,;-7.68,-1.9,;-6.34,-1.13,;-5.01,-1.9,;-3.55,-1.43,;-2.06,-1.03,;-1.66,.46,;-2.75,1.55,;-4.24,1.15,;-4.64,-.34,;-3.52,2.88,;-5.06,2.88,;-5.83,4.21,;-7.37,4.21,;-8.14,2.88,;-7.37,1.55,;-8.14,.21,;-5.83,1.55,;-1.42,2.32,;-.08,1.55,;-1.42,3.86,;4.29,-1.34,;5.83,-1.34,;6.6,-.01,;8.14,-.01,)|
COc1cncnc1OCCCC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.38,20.21,wD:23.29,(2.75,-.01,;4.29,-.01,;5.06,-1.34,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,)|
COc1cncnc1OCCCC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,wD:23.29,(2.75,-.01,;4.29,-.01,;5.06,-1.34,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,)|
COC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CCCOc1ccnc3ccsc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.33,4.3,wD:4.35,10.11,(2.02,2.32,;.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CCCOc1ccnc3ccsc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,9.10,wD:3.34,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
Cc1cncnc1OCCCC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.20,22.37,wD:22.28,(4.29,-.01,;5.06,-1.34,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3ccsc13)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.34,c:25,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccccc1C(F)(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:3.34,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;5.06,-1.34,;4.29,-.01,;5.06,1.33,;2.75,-.01,;3.52,1.33,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3ccccc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.33,3.2,wD:3.35,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.37,-.01,;6.6,1.33,;5.06,1.33,;4.29,-.01,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3[nH]ccc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:3.34,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
Cc1cc2nccc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2s1 |r,wU:20.20,23.37,wD:23.28,(5.83,2.57,;5.83,1.03,;7.07,.12,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,;4.58,.12,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3ccoc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.33,4.3,wD:4.35,(2.02,2.32,;.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-1.34,;1.98,-1.34,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
Cc1cnccc1OCCC[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.20,22.37,wD:22.28,11.11,(4.34,.11,;5.11,-1.22,;6.65,-1.22,;7.42,-2.56,;6.65,-3.89,;5.11,-3.89,;4.34,-2.56,;2.8,-2.56,;2.03,-1.22,;.49,-1.22,;-.28,-2.56,;-1.82,-2.56,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.72,-1.31,;-1.22,-.99,;-.74,.47,;-1.77,1.62,;-3.28,1.3,;-3.75,-.17,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,;-.44,2.39,;.9,1.62,;-.44,3.93,)|
Cc1cnccc1OCCC[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.20,22.37,11.11,wD:22.28,(4.34,.11,;5.11,-1.22,;6.65,-1.22,;7.42,-2.56,;6.65,-3.89,;5.11,-3.89,;4.34,-2.56,;2.8,-2.56,;2.03,-1.22,;.49,-1.22,;-.28,-2.56,;-1.82,-2.56,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.72,-1.31,;-1.22,-.99,;-.74,.47,;-1.77,1.62,;-3.28,1.3,;-3.75,-.17,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,;-.44,2.39,;.9,1.62,;-.44,3.93,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1cncnc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(.9,1.62,;-.44,2.39,;-.44,3.93,;-1.77,1.62,;-.74,.47,;-1.22,-.99,;-2.72,-1.31,;-3.75,-.17,;-3.28,1.3,;-1.82,-2.56,;-.28,-2.56,;.49,-1.22,;2.03,-1.22,;2.8,-2.56,;4.34,-2.56,;5.11,-3.89,;6.65,-3.89,;7.42,-2.56,;6.65,-1.22,;5.11,-1.22,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3CCCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.34,4.3,wD:4.36,(2.23,2.39,;.9,1.62,;-.44,2.39,;-.44,3.93,;-1.77,1.62,;-.74,.47,;-1.22,-.99,;-2.72,-1.31,;-3.75,-.17,;-3.28,1.3,;-1.82,-2.56,;-.28,-2.56,;.49,-1.22,;2.03,-1.22,;2.8,-2.56,;4.34,-2.56,;5.11,-3.89,;6.65,-3.89,;7.42,-2.56,;6.65,-1.22,;7.42,.11,;6.65,1.44,;5.11,1.44,;4.34,.11,;5.11,-1.22,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.33,4.3,wD:4.35,(2.23,2.39,;.9,1.62,;-.44,2.39,;-.44,3.93,;-1.77,1.62,;-.74,.47,;-1.22,-.99,;-2.72,-1.31,;-3.75,-.17,;-3.28,1.3,;-1.82,-2.56,;-.28,-2.56,;.49,-1.22,;2.03,-1.22,;2.8,-2.56,;4.34,-2.56,;5.11,-3.89,;6.65,-3.89,;7.42,-2.56,;6.65,-1.22,;7.13,.24,;5.88,1.15,;4.64,.24,;5.11,-1.22,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,)|
Cc1n[nH]c2nccc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:21.21,24.38,wD:24.29,(3.17,.72,;4.64,.24,;5.88,1.15,;7.13,.24,;6.65,-1.22,;7.42,-2.56,;6.65,-3.89,;5.11,-3.89,;4.34,-2.56,;2.8,-2.56,;2.03,-1.22,;.49,-1.22,;-.28,-2.56,;-1.82,-2.56,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.72,-1.31,;-1.22,-.99,;-.74,.47,;-1.77,1.62,;-3.28,1.3,;-3.75,-.17,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,;-.44,2.39,;.9,1.62,;-.44,3.93,;5.11,-1.22,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3ccsc13)=Cc1ccccc21)Nc1cccc(Br)c1 |r,wU:3.2,wD:6.9,3.34,c:25,(.9,1.62,;-.44,2.39,;-.44,3.93,;-1.77,1.62,;-.74,.47,;-1.22,-.99,;-2.72,-1.31,;-3.75,-.17,;-3.28,1.3,;-1.82,-2.56,;-.28,-2.56,;.49,-1.22,;2.03,-1.22,;2.8,-2.56,;4.34,-2.56,;5.11,-3.89,;6.65,-3.89,;7.42,-2.56,;6.65,-1.22,;7.13,.24,;5.88,1.15,;4.64,.24,;5.11,-1.22,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3ccsc13)=Cc1ccccc21)Nc1ccccc1 |r,wU:3.2,wD:6.9,3.34,c:25,(.9,1.62,;-.44,2.39,;-.44,3.93,;-1.77,1.62,;-.74,.47,;-1.22,-.99,;-2.72,-1.31,;-3.75,-.17,;-3.28,1.3,;-1.82,-2.56,;-.28,-2.56,;.49,-1.22,;2.03,-1.22,;2.8,-2.56,;4.34,-2.56,;5.11,-3.89,;6.65,-3.89,;7.42,-2.56,;6.65,-1.22,;7.13,.24,;5.88,1.15,;4.64,.24,;5.11,-1.22,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-5.11,1.43,)|
Cc1cncnc1OCCCC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:22.37,wD:19.21,22.28,t:12,(4.34,.11,;5.11,-1.22,;6.65,-1.22,;7.42,-2.56,;6.65,-3.89,;5.11,-3.89,;4.34,-2.56,;2.8,-2.56,;2.03,-1.22,;.49,-1.22,;-.28,-2.56,;-1.82,-2.56,;-2.72,-3.8,;-4.19,-3.33,;-5.52,-4.1,;-6.86,-3.33,;-6.86,-1.79,;-5.52,-1.02,;-4.19,-1.79,;-2.72,-1.31,;-1.22,-.99,;-.74,.47,;-1.77,1.62,;-3.28,1.3,;-3.75,-.17,;-2.8,2.76,;-4.34,2.76,;-5.11,4.1,;-6.65,4.1,;-7.42,2.76,;-6.65,1.43,;-7.42,.1,;-5.11,1.43,;-.44,2.39,;.9,1.62,;-.44,3.93,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc(C)c1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.30,4.3,wD:4.32,(2.1,2.29,;.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-1.32,;1.9,-1.32,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;7.29,.02,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3n(cc(C)c13)S(=O)(=O)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.44,4.3,wD:4.46,(-.36,2.29,;-1.7,1.52,;-3.03,2.29,;-3.03,3.83,;-4.36,1.52,;-3.33,.38,;-3.81,-1.09,;-5.32,-1.41,;-6.35,-.26,;-5.87,1.2,;-4.41,-2.65,;-2.87,-2.65,;-2.1,-1.32,;-.56,-1.32,;.21,-2.65,;1.75,-2.65,;2.52,-3.98,;4.06,-3.98,;4.83,-2.65,;4.06,-1.32,;4.54,.15,;3.29,1.05,;2.04,.15,;.58,.62,;2.52,-1.32,;6,.62,;6.4,2.11,;7.49,1.02,;7.14,-.41,;6.82,-1.91,;7.97,-2.94,;9.43,-2.47,;9.75,-.96,;8.61,.07,;-5.32,-3.9,;-6.78,-3.42,;-8.11,-4.19,;-9.45,-3.42,;-9.45,-1.88,;-8.11,-1.11,;-6.78,-1.88,;-5.13,2.86,;-6.67,2.86,;-7.44,4.19,;-8.98,4.19,;-9.75,2.86,;-8.98,1.52,;-9.75,.19,;-7.44,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CCCOc1ncnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,9.10,3.2,wD:3.34,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-1.32,;1.9,-1.32,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;7,.15,;5.75,1.05,;4.51,.15,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CCCOc1ncnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:9.10,3.34,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-1.32,;1.9,-1.32,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;7,.15,;5.75,1.05,;4.51,.15,;4.98,-1.32,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
CC(C)c1cncnc1OCCC[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.22,24.39,wD:13.13,24.30,(2.67,.02,;4.21,.02,;4.98,1.35,;4.98,-1.32,;6.52,-1.32,;7.29,-2.65,;6.52,-3.98,;4.98,-3.98,;4.21,-2.65,;2.67,-2.65,;1.9,-1.32,;.36,-1.32,;-.41,-2.65,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.85,-1.41,;-1.35,-1.09,;-.87,.38,;-1.9,1.52,;-3.41,1.2,;-3.88,-.26,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,;-.57,2.29,;.77,1.52,;-.57,3.83,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccncc1C(F)(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:3.34,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-1.32,;1.9,-1.32,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;4.21,.02,;4.98,1.35,;2.67,.02,;3.44,1.35,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CCCOc1ccncc1C1CC1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,9.10,3.2,wD:3.34,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-1.32,;1.9,-1.32,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;4.21,.02,;4.05,1.55,;2.8,.64,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CCCOc1ncncc1C1CC1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:9.10,3.34,(.77,1.52,;-.57,2.29,;-.57,3.83,;-1.9,1.52,;-.87,.38,;-1.35,-1.09,;-2.85,-1.41,;-3.88,-.26,;-3.41,1.2,;-1.95,-2.65,;-.41,-2.65,;.36,-1.32,;1.9,-1.32,;2.67,-2.65,;4.21,-2.65,;4.98,-3.98,;6.52,-3.98,;7.29,-2.65,;6.52,-1.32,;4.98,-1.32,;4.21,.02,;4.21,1.56,;2.88,.79,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,)|
CC1(C)CCc2ncnc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:22.22,25.39,wD:25.30,(3.63,1.41,;4.67,.27,;3.16,-.05,;5.91,1.17,;7.16,.27,;6.68,-1.2,;7.45,-2.53,;6.68,-3.86,;5.14,-3.86,;4.37,-2.53,;2.83,-2.53,;2.06,-1.2,;.52,-1.2,;-.25,-2.53,;-1.79,-2.53,;-2.69,-3.77,;-4.16,-3.3,;-5.49,-4.07,;-6.83,-3.3,;-6.83,-1.76,;-5.49,-.99,;-4.16,-1.76,;-2.69,-1.28,;-1.19,-.96,;-.71,.5,;-1.74,1.65,;-3.25,1.33,;-3.72,-.14,;-2.83,2.74,;-4.37,2.74,;-5.14,4.07,;-6.68,4.07,;-7.45,2.74,;-6.68,1.4,;-7.45,.07,;-5.14,1.4,;-.41,2.42,;.93,1.65,;-.41,3.96,;5.14,-1.2,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOC1CCOCC1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.28,3.2,wD:3.30,(.93,1.65,;-.41,2.42,;-.41,3.96,;-1.74,1.65,;-.71,.5,;-1.19,-.96,;-2.69,-1.28,;-3.72,-.14,;-3.25,1.33,;-1.79,-2.53,;-.25,-2.53,;.52,-1.2,;2.06,-1.2,;2.83,-2.53,;4.37,-2.53,;5.14,-3.86,;6.68,-3.86,;7.45,-2.53,;6.68,-1.2,;5.14,-1.2,;-2.69,-3.77,;-4.16,-3.3,;-5.49,-4.07,;-6.83,-3.3,;-6.83,-1.76,;-5.49,-.99,;-4.16,-1.76,;-2.83,2.74,;-4.37,2.74,;-5.14,4.07,;-6.68,4.07,;-7.45,2.74,;-6.68,1.4,;-7.45,.07,;-5.14,1.4,)|
CC1CCc2nc(C)nc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:22.22,25.39,wD:25.30,(3.2,-3.14,;4.67,-2.66,;5.91,-3.56,;7.16,-2.66,;6.68,-1.2,;7.45,.14,;6.68,1.47,;7.45,2.81,;5.14,1.47,;4.37,.14,;2.83,.14,;2.06,-1.2,;.52,-1.2,;-.25,-2.53,;-1.79,-2.53,;-2.69,-3.77,;-4.16,-3.3,;-5.49,-4.07,;-6.83,-3.3,;-6.83,-1.76,;-5.49,-.99,;-4.16,-1.76,;-2.69,-1.28,;-1.19,-.96,;-.71,.5,;-1.74,1.65,;-3.25,1.33,;-3.72,-.14,;-2.83,2.74,;-4.37,2.74,;-5.14,4.07,;-6.68,4.07,;-7.45,2.74,;-6.68,1.4,;-7.45,.07,;-5.14,1.4,;-.41,2.42,;.93,1.65,;-.41,3.96,;5.14,-1.2,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1cccc3[nH]cnc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:3.34,(.93,1.65,;-.41,2.42,;-.41,3.96,;-1.74,1.65,;-.71,.5,;-1.19,-.96,;-2.69,-1.28,;-3.72,-.14,;-3.25,1.33,;-1.79,-2.53,;-.25,-2.53,;.52,-1.2,;2.06,-1.2,;2.83,-2.53,;4.37,-2.53,;5.14,-3.86,;6.68,-3.86,;7.45,-2.53,;6.68,-1.2,;7.16,.27,;5.91,1.17,;4.67,.27,;5.14,-1.2,;-2.69,-3.77,;-4.16,-3.3,;-5.49,-4.07,;-6.83,-3.3,;-6.83,-1.76,;-5.49,-.99,;-4.16,-1.76,;-2.83,2.74,;-4.37,2.74,;-5.14,4.07,;-6.68,4.07,;-7.45,2.74,;-6.68,1.4,;-7.45,.07,;-5.14,1.4,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1cccc3NCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:3.34,(.93,1.65,;-.41,2.42,;-.41,3.96,;-1.74,1.65,;-.71,.5,;-1.19,-.96,;-2.69,-1.28,;-3.72,-.14,;-3.25,1.33,;-1.79,-2.53,;-.25,-2.53,;.52,-1.2,;2.06,-1.2,;2.83,-2.53,;4.37,-2.53,;5.14,-3.86,;6.68,-3.86,;7.45,-2.53,;6.68,-1.2,;7.16,.27,;5.91,1.17,;4.67,.27,;5.14,-1.2,;-2.69,-3.77,;-4.16,-3.3,;-5.49,-4.07,;-6.83,-3.3,;-6.83,-1.76,;-5.49,-.99,;-4.16,-1.76,;-2.83,2.74,;-4.37,2.74,;-5.14,4.07,;-6.68,4.07,;-7.45,2.74,;-6.68,1.4,;-7.45,.07,;-5.14,1.4,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOC1CCOc3ccccc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.33,3.2,wD:3.35,(.93,1.65,;-.41,2.42,;-.41,3.96,;-1.74,1.65,;-.71,.5,;-1.19,-.96,;-2.69,-1.28,;-3.72,-.14,;-3.25,1.33,;-1.79,-2.53,;-.25,-2.53,;.52,-1.2,;2.06,-1.2,;2.83,-2.53,;4.37,-2.53,;5.14,-3.86,;6.68,-3.86,;7.45,-2.53,;6.68,-1.2,;7.45,.14,;6.68,1.47,;5.14,1.47,;4.37,.14,;5.14,-1.2,;-2.69,-3.77,;-4.16,-3.3,;-5.49,-4.07,;-6.83,-3.3,;-6.83,-1.76,;-5.49,-.99,;-4.16,-1.76,;-2.83,2.74,;-4.37,2.74,;-5.14,4.07,;-6.68,4.07,;-7.45,2.74,;-6.68,1.4,;-7.45,.07,;-5.14,1.4,)|
C[C@@H]1CCc2ncnc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:21.21,24.38,wD:1.0,(3.04,.62,;4.51,.15,;5.75,1.05,;7,.15,;6.52,-1.32,;7.29,-2.65,;6.52,-3.98,;4.98,-3.98,;4.21,-2.65,;2.67,-2.65,;1.9,-1.32,;.36,-1.32,;-.41,-2.65,;-1.95,-2.65,;-2.85,-3.9,;-4.32,-3.42,;-5.65,-4.19,;-6.99,-3.42,;-6.99,-1.88,;-5.65,-1.11,;-4.32,-1.88,;-2.85,-1.41,;-1.35,-1.09,;-.87,.38,;-1.9,1.52,;-3.41,1.2,;-3.88,-.26,;-2.67,2.86,;-4.21,2.86,;-4.98,4.19,;-6.52,4.19,;-7.29,2.86,;-6.52,1.52,;-7.29,.19,;-4.98,1.52,;-.57,2.29,;.77,1.52,;-.57,3.83,;4.98,-1.32,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3C(F)CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.34,3.2,wD:3.36,(-0,1.52,;-1.34,2.29,;-1.34,3.83,;-2.67,1.52,;-1.64,.38,;-2.12,-1.09,;-3.62,-1.41,;-4.65,-.26,;-4.18,1.2,;-2.72,-2.65,;-1.18,-2.65,;-.41,-1.32,;1.13,-1.32,;1.9,-2.65,;3.44,-2.65,;4.21,-3.98,;5.75,-3.98,;6.52,-2.65,;5.75,-1.32,;6.52,.02,;8.06,.02,;5.75,1.35,;4.21,1.35,;3.44,.02,;4.21,-1.32,;-3.62,-3.9,;-5.09,-3.42,;-6.42,-4.19,;-7.76,-3.42,;-7.76,-1.88,;-6.42,-1.11,;-5.09,-1.88,;-3.44,2.86,;-4.98,2.86,;-5.75,4.19,;-7.29,4.19,;-8.06,2.86,;-7.29,1.52,;-8.06,.19,;-5.75,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3C(O)CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.35,4.3,wD:4.37,(1.33,2.29,;-0,1.52,;-1.34,2.29,;-1.34,3.83,;-2.67,1.52,;-1.64,.38,;-2.12,-1.09,;-3.62,-1.41,;-4.65,-.26,;-4.18,1.2,;-2.72,-2.65,;-1.18,-2.65,;-.41,-1.32,;1.13,-1.32,;1.9,-2.65,;3.44,-2.65,;4.21,-3.98,;5.75,-3.98,;6.52,-2.65,;5.75,-1.32,;6.52,.02,;8.06,.02,;5.75,1.35,;4.21,1.35,;3.44,.02,;4.21,-1.32,;-3.62,-3.9,;-5.09,-3.42,;-6.42,-4.19,;-7.76,-3.42,;-7.76,-1.88,;-6.42,-1.11,;-5.09,-1.88,;-3.44,2.86,;-4.98,2.86,;-5.75,4.19,;-7.29,4.19,;-8.06,2.86,;-7.29,1.52,;-8.06,.19,;-5.75,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3C(O)CCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.34,4.3,wD:4.36,(1.51,2.29,;.18,1.52,;-1.15,2.29,;-1.15,3.83,;-2.49,1.52,;-1.46,.38,;-1.93,-1.09,;-3.44,-1.41,;-4.47,-.26,;-3.99,1.2,;-2.53,-2.65,;-.99,-2.65,;-.22,-1.32,;1.32,-1.32,;2.09,-2.65,;3.63,-2.65,;4.4,-3.98,;5.94,-3.98,;6.71,-2.65,;5.94,-1.32,;6.41,.15,;7.88,.62,;5.17,1.05,;3.92,.15,;4.4,-1.32,;-3.44,-3.9,;-4.9,-3.42,;-6.24,-4.19,;-7.57,-3.42,;-7.57,-1.88,;-6.24,-1.11,;-4.9,-1.88,;-3.26,2.86,;-4.8,2.86,;-5.57,4.19,;-7.11,4.19,;-7.88,2.86,;-7.11,1.52,;-7.88,.19,;-5.57,1.52,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CCCOc1ccnc3C(F)CCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.34,4.3,wD:4.36,(1.51,2.29,;.18,1.52,;-1.15,2.29,;-1.15,3.83,;-2.49,1.52,;-1.46,.38,;-1.93,-1.09,;-3.44,-1.41,;-4.47,-.26,;-3.99,1.2,;-2.53,-2.65,;-.99,-2.65,;-.22,-1.32,;1.32,-1.32,;2.09,-2.65,;3.63,-2.65,;4.4,-3.98,;5.94,-3.98,;6.71,-2.65,;5.94,-1.32,;6.41,.15,;7.88,.62,;5.17,1.05,;3.92,.15,;4.4,-1.32,;-3.44,-3.9,;-4.9,-3.42,;-6.24,-4.19,;-7.57,-3.42,;-7.57,-1.88,;-6.24,-1.11,;-4.9,-1.88,;-3.26,2.86,;-4.8,2.86,;-5.57,4.19,;-7.11,4.19,;-7.88,2.86,;-7.11,1.52,;-7.88,.19,;-5.57,1.52,)|
CC1CCc2nccc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3ccccc3)C(O)=O)c12 |r,wU:21.21,24.37,wD:24.29,(3.1,.52,;4.58,.12,;5.83,1.03,;7.07,.12,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,)|
CC1CCc2nccc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:21.21,24.38,wD:24.29,(3.1,.52,;4.58,.12,;5.83,1.03,;7.07,.12,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,)|
Cn1ccc(OCCCC2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1=O |r,wU:17.17,20.34,wD:20.25,(8.14,-2.67,;6.6,-2.67,;5.83,-4.01,;4.29,-4.01,;3.52,-2.67,;1.98,-2.67,;1.21,-1.34,;-.33,-1.34,;-1.1,-2.67,;-2.64,-2.67,;-3.55,-3.92,;-5.01,-3.44,;-6.34,-4.21,;-7.68,-3.44,;-7.68,-1.9,;-6.34,-1.13,;-5.01,-1.9,;-3.55,-1.43,;-2.06,-1.03,;-1.66,.46,;-2.75,1.55,;-4.24,1.15,;-4.64,-.34,;-3.52,2.88,;-5.06,2.88,;-5.83,4.21,;-7.37,4.21,;-8.14,2.88,;-7.37,1.55,;-8.14,.21,;-5.83,1.55,;-1.42,2.32,;-.08,1.55,;-1.42,3.86,;4.29,-1.34,;5.83,-1.34,;6.6,-.01,)|
CN1C(=O)Cc2cc(OCCCC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)ccc12 |r,wU:20.20,23.37,wD:23.28,(8.46,-3.44,;7.37,-2.35,;7.54,-.82,;8.87,-.05,;6.13,-.2,;5.1,-1.34,;3.56,-1.34,;2.79,-2.67,;1.25,-2.67,;.48,-1.34,;-1.06,-1.34,;-1.83,-2.67,;-3.37,-2.67,;-4.28,-3.92,;-5.74,-3.44,;-7.08,-4.21,;-8.41,-3.44,;-8.41,-1.9,;-7.08,-1.13,;-5.74,-1.9,;-4.28,-1.43,;-2.79,-1.03,;-2.39,.46,;-3.48,1.55,;-4.97,1.15,;-5.37,-.34,;-4.25,2.88,;-5.79,2.88,;-6.56,4.21,;-8.1,4.21,;-8.87,2.88,;-8.1,1.55,;-8.87,.21,;-6.56,1.55,;-2.15,2.32,;-.81,1.55,;-2.15,3.86,;3.56,-4.01,;5.1,-4.01,;5.87,-2.67,)|
Cc1cc2c(OCCC[C@@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)cccc2[nH]1 |r,wU:17.17,20.34,wD:20.25,9.8,(5.83,2.57,;5.83,1.03,;4.58,.12,;5.06,-1.34,;4.29,-2.67,;2.75,-2.67,;1.98,-4.01,;.44,-4.01,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,)|
Cc1cc2c(OCCC[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)cccc2[nH]1 |r,wU:17.17,20.34,9.8,wD:20.25,(5.83,2.57,;5.83,1.03,;4.58,.12,;5.06,-1.34,;4.29,-2.67,;2.75,-2.67,;1.98,-4.01,;.44,-4.01,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,)|
Cc1c[nH]c2cccc(OCCC[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:21.21,24.38,13.12,wD:24.29,(3.1,.52,;4.58,.12,;5.83,1.03,;7.07,.12,;6.6,-1.34,;7.37,-2.67,;6.6,-4.01,;5.06,-4.01,;4.29,-2.67,;2.75,-2.67,;1.98,-4.01,;.44,-4.01,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CCCOc1cccc3[nH]ccc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,wD:3.34,9.10,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CCCOc1cccc3[nH]ccc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.32,3.2,9.10,wD:3.34,(.69,1.55,;-.65,2.32,;-.65,3.86,;-1.98,1.55,;-.89,.46,;-1.29,-1.03,;-2.78,-1.43,;-3.87,-.34,;-3.47,1.15,;-1.87,-2.67,;-.33,-2.67,;.44,-4.01,;1.98,-4.01,;2.75,-2.67,;4.29,-2.67,;5.06,-4.01,;6.6,-4.01,;7.37,-2.67,;6.6,-1.34,;7.07,.12,;5.83,1.03,;4.58,.12,;5.06,-1.34,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,)|
Cc1cc(OCCC[C@@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c2cc[nH]c2c1 |r,wU:16.16,19.33,wD:19.24,8.7,(7.37,2.66,;6.6,1.33,;5.06,1.33,;4.29,-.01,;2.75,-.01,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,;4.58,-2.81,;5.83,-3.71,;7.07,-2.81,;6.6,-1.34,;7.37,-.01,)|
Cc1cc(OCCC[C@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c2cc[nH]c2c1 |r,wU:16.16,19.33,8.7,wD:19.24,(7.37,2.66,;6.6,1.33,;5.06,1.33,;4.29,-.01,;2.75,-.01,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,;5.06,-1.34,;4.58,-2.81,;5.83,-3.71,;7.07,-2.81,;6.6,-1.34,;7.37,-.01,)|
Cc1ccc2[nH]ccc2c1OCCC[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,wD:25.32,14.15,(4.29,2.66,;5.06,1.33,;6.6,1.33,;7.37,-.01,;6.6,-1.34,;7.07,-2.81,;5.83,-3.71,;4.58,-2.81,;5.06,-1.34,;4.29,-.01,;2.75,-.01,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,)|
Cc1ccc2[nH]ccc2c1OCCC[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,14.15,wD:25.32,(4.29,2.66,;5.06,1.33,;6.6,1.33,;7.37,-.01,;6.6,-1.34,;7.07,-2.81,;5.83,-3.71,;4.58,-2.81,;5.06,-1.34,;4.29,-.01,;2.75,-.01,;1.98,-1.34,;.44,-1.34,;-.33,-2.67,;-1.87,-2.67,;-2.78,-3.92,;-4.24,-3.44,;-5.57,-4.21,;-6.91,-3.44,;-6.91,-1.9,;-5.57,-1.13,;-4.24,-1.9,;-2.78,-1.43,;-1.29,-1.03,;-.89,.46,;-1.98,1.55,;-3.47,1.15,;-3.87,-.34,;-2.75,2.88,;-4.29,2.88,;-5.06,4.21,;-6.6,4.21,;-7.37,2.88,;-6.6,1.55,;-7.37,.21,;-5.06,1.55,;-.65,2.32,;.69,1.55,;-.65,3.86,)|
OCC(COc1ccnc2ccsc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,wD:23.26,26.33,t:17,(-1.87,-4.78,;-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CC(COc1ccnc3ccsc13)COc1ccnc3ccsc13)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.47,c:38,(.6,3.42,;-.49,4.51,;-.09,6,;-1.98,4.11,;-.89,3.02,;-1.29,1.53,;-2.78,1.14,;-3.87,2.22,;-3.47,3.71,;-1.87,-.11,;-.33,-.11,;.44,-1.44,;-.33,-2.78,;-1.87,-2.78,;-2.64,-4.11,;-1.87,-5.44,;-2.64,-6.78,;-4.18,-6.78,;-4.95,-5.44,;-6.46,-5.12,;-6.62,-3.59,;-5.21,-2.97,;-4.18,-4.11,;1.98,-1.44,;2.75,-.11,;4.29,-.11,;5.06,-1.44,;6.6,-1.44,;7.37,-.11,;6.6,1.22,;7.07,2.69,;5.83,3.59,;4.58,2.69,;5.06,1.22,;-2.78,-1.36,;-4.24,-.88,;-5.57,-1.65,;-6.91,-.88,;-6.91,.66,;-5.57,1.43,;-4.24,.66,;-2.75,5.44,;-4.29,5.44,;-5.06,6.78,;-6.6,6.78,;-7.37,5.44,;-6.6,4.11,;-7.37,2.78,;-5.06,4.11,)|
COCC(COC)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.33,wD:16.17,19.24,t:8,(5.83,-1.44,;4.29,-1.44,;3.52,-2.78,;1.98,-2.78,;1.21,-4.11,;-.33,-4.11,;-1.1,-5.44,;1.21,-1.44,;-.33,-1.44,;-1.24,-2.69,;-2.7,-2.21,;-4.03,-2.98,;-5.37,-2.21,;-5.37,-.67,;-4.03,.1,;-2.7,-.67,;-1.24,-.2,;.25,.2,;.65,1.69,;-.44,2.78,;-1.93,2.38,;-2.33,.89,;-1.21,4.11,;-2.75,4.11,;-3.52,5.44,;-5.06,5.44,;-5.83,4.11,;-5.06,2.78,;-5.83,1.44,;-3.52,2.78,;1.05,3.18,;2.14,2.09,;1.45,4.66,)|
COCC(COc1ccnc2CCCc12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,wD:27.34,(-2.64,-5.44,;-1.87,-4.11,;-.33,-4.11,;.44,-2.78,;1.98,-2.78,;2.75,-1.44,;4.29,-1.44,;5.06,-2.78,;6.6,-2.78,;7.37,-1.44,;6.6,-.11,;7.07,1.35,;5.83,2.26,;4.58,1.35,;5.06,-.11,;-.33,-1.44,;-1.87,-1.44,;-2.78,-2.69,;-4.24,-2.21,;-5.57,-2.98,;-6.91,-2.21,;-6.91,-.67,;-5.57,.1,;-4.24,-.67,;-2.78,-.2,;-1.29,.2,;-.89,1.69,;-1.98,2.78,;-3.47,2.38,;-3.87,.89,;-2.75,4.11,;-4.29,4.11,;-5.06,5.44,;-6.6,5.44,;-7.37,4.11,;-6.6,2.78,;-7.37,1.44,;-5.06,2.78,;-.49,3.18,;.6,2.09,;-.09,4.66,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CC(COCCN1CCOCC1)COc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.43,3.2,9.10,wD:3.45,(.6,3.42,;-.49,4.51,;-.09,6,;-1.98,4.11,;-.89,3.02,;-1.29,1.53,;-2.78,1.14,;-3.87,2.22,;-3.47,3.71,;-1.87,-.11,;-.33,-.11,;.44,-1.44,;-.33,-2.78,;-1.87,-2.78,;-2.64,-4.11,;-1.87,-5.44,;-.33,-5.44,;.44,-6.78,;1.98,-6.78,;2.75,-5.44,;1.98,-4.11,;.44,-4.11,;1.98,-1.44,;2.75,-.11,;4.29,-.11,;5.06,-1.44,;6.6,-1.44,;7.37,-.11,;6.6,1.22,;7.07,2.69,;5.83,3.59,;4.58,2.69,;5.06,1.22,;-2.78,-1.36,;-4.24,-.88,;-5.57,-1.65,;-6.91,-.88,;-6.91,.66,;-5.57,1.43,;-4.24,.66,;-2.75,5.44,;-4.29,5.44,;-5.06,6.78,;-6.6,6.78,;-7.37,5.44,;-6.6,4.11,;-7.37,2.78,;-5.06,4.11,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CC(COCCN1CCOCC1)COc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.43,3.2,wD:3.45,9.10,(.6,3.42,;-.49,4.51,;-.09,6,;-1.98,4.11,;-.89,3.02,;-1.29,1.53,;-2.78,1.14,;-3.87,2.22,;-3.47,3.71,;-1.87,-.11,;-.33,-.11,;.44,-1.44,;-.33,-2.78,;-1.87,-2.78,;-2.64,-4.11,;-1.87,-5.44,;-.33,-5.44,;.44,-6.78,;1.98,-6.78,;2.75,-5.44,;1.98,-4.11,;.44,-4.11,;1.98,-1.44,;2.75,-.11,;4.29,-.11,;5.06,-1.44,;6.6,-1.44,;7.37,-.11,;6.6,1.22,;7.07,2.69,;5.83,3.59,;4.58,2.69,;5.06,1.22,;-2.78,-1.36,;-4.24,-.88,;-5.57,-1.65,;-6.91,-.88,;-6.91,.66,;-5.57,1.43,;-4.24,.66,;-2.75,5.44,;-4.29,5.44,;-5.06,6.78,;-6.6,6.78,;-7.37,5.44,;-6.6,4.11,;-7.37,2.78,;-5.06,4.11,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CC(COc1ccnc3CCCc13)COc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.45,3.2,9.10,wD:3.47,(.6,3.42,;-.49,4.51,;-.09,6,;-1.98,4.11,;-.89,3.02,;-1.29,1.53,;-2.78,1.14,;-3.87,2.22,;-3.47,3.71,;-1.87,-.11,;-.33,-.11,;.44,-1.44,;-.33,-2.78,;-1.87,-2.78,;-2.64,-4.11,;-1.87,-5.44,;-2.64,-6.78,;-4.18,-6.78,;-4.95,-5.44,;-6.46,-5.12,;-6.62,-3.59,;-5.21,-2.97,;-4.18,-4.11,;1.98,-1.44,;2.75,-.11,;4.29,-.11,;5.06,-1.44,;6.6,-1.44,;7.37,-.11,;6.6,1.22,;7.07,2.69,;5.83,3.59,;4.58,2.69,;5.06,1.22,;-2.78,-1.36,;-4.24,-.88,;-5.57,-1.65,;-6.91,-.88,;-6.91,.66,;-5.57,1.43,;-4.24,.66,;-2.75,5.44,;-4.29,5.44,;-5.06,6.78,;-6.6,6.78,;-7.37,5.44,;-6.6,4.11,;-7.37,2.78,;-5.06,4.11,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CC(COc1ccnc3CCCc13)COc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.45,3.2,wD:3.47,9.10,(.6,3.42,;-.49,4.51,;-.09,6,;-1.98,4.11,;-.89,3.02,;-1.29,1.53,;-2.78,1.14,;-3.87,2.22,;-3.47,3.71,;-1.87,-.11,;-.33,-.11,;.44,-1.44,;-.33,-2.78,;-1.87,-2.78,;-2.64,-4.11,;-1.87,-5.44,;-2.64,-6.78,;-4.18,-6.78,;-4.95,-5.44,;-6.46,-5.12,;-6.62,-3.59,;-5.21,-2.97,;-4.18,-4.11,;1.98,-1.44,;2.75,-.11,;4.29,-.11,;5.06,-1.44,;6.6,-1.44,;7.37,-.11,;6.6,1.22,;7.07,2.69,;5.83,3.59,;4.58,2.69,;5.06,1.22,;-2.78,-1.36,;-4.24,-.88,;-5.57,-1.65,;-6.91,-.88,;-6.91,.66,;-5.57,1.43,;-4.24,.66,;-2.75,5.44,;-4.29,5.44,;-5.06,6.78,;-6.6,6.78,;-7.37,5.44,;-6.6,4.11,;-7.37,2.78,;-5.06,4.11,)|
OCC(COc1ccnc2CCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,15.16,wD:26.33,(-1.87,-4.78,;-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
OCC(COc1ccnc2CCCc12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,wD:26.33,15.16,(-1.87,-4.78,;-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CC(COc1ccccc1)COc1cccc3ccsc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.41,3.2,wD:3.43,(2.14,1.52,;1.05,2.61,;1.45,4.1,;-.44,2.21,;.65,1.12,;.25,-.36,;-1.24,-.76,;-2.33,.33,;-1.93,1.81,;-.33,-2.01,;1.21,-2.01,;1.98,-3.34,;1.21,-4.67,;-.33,-4.67,;-1.1,-6.01,;-2.64,-6.01,;-3.41,-7.34,;-2.64,-8.68,;-1.1,-8.68,;-.33,-7.34,;3.52,-3.34,;4.29,-2.01,;5.83,-2.01,;6.6,-3.34,;8.14,-3.34,;8.91,-2.01,;8.14,-.67,;8.62,.79,;7.37,1.7,;6.12,.79,;6.6,-.67,;-1.24,-3.25,;-2.7,-2.78,;-4.03,-3.55,;-5.37,-2.78,;-5.37,-1.24,;-4.03,-.47,;-2.7,-1.24,;-1.21,3.55,;-2.75,3.55,;-3.52,4.88,;-5.06,4.88,;-5.83,3.55,;-5.06,2.21,;-5.83,.88,;-3.52,2.21,)|
COCC(F)(F)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:15.15,18.32,wD:18.23,(5.83,-2.01,;4.29,-2.01,;3.52,-3.34,;1.98,-3.34,;1.98,-4.88,;.65,-4.11,;1.21,-2.01,;-.33,-2.01,;-1.24,-3.25,;-2.7,-2.78,;-4.03,-3.55,;-5.37,-2.78,;-5.37,-1.24,;-4.03,-.47,;-2.7,-1.24,;-1.24,-.76,;.25,-.36,;.65,1.12,;-.44,2.21,;-1.93,1.81,;-2.33,.33,;-1.21,3.55,;-2.75,3.55,;-3.52,4.88,;-5.06,4.88,;-5.83,3.55,;-5.06,2.21,;-5.83,.88,;-3.52,2.21,;1.05,2.61,;2.14,1.52,;1.45,4.1,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CC(F)(F)COc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.34,3.2,wD:3.36,(.67,1.5,;-.41,2.59,;-.02,4.08,;-1.9,2.19,;-.87,1.05,;-1.35,-.42,;-2.85,-.74,;-3.88,.41,;-3.41,1.87,;-1.95,-1.98,;-.41,-1.98,;.36,-3.32,;.36,-4.86,;-.97,-4.09,;1.9,-3.32,;2.67,-1.98,;4.21,-1.98,;4.98,-3.32,;6.52,-3.32,;7.29,-1.98,;6.52,-.65,;7,.81,;5.75,1.72,;4.51,.81,;4.98,-.65,;-2.85,-3.23,;-4.32,-2.75,;-5.65,-3.52,;-6.99,-2.75,;-6.99,-1.21,;-5.65,-.44,;-4.32,-1.21,;-2.67,3.52,;-4.21,3.52,;-4.98,4.86,;-6.52,4.86,;-7.29,3.52,;-6.52,2.19,;-7.29,.86,;-4.98,2.19,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(C[C@@H](F)COc1ccnc3CCCc13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.33,3.2,wD:3.35,11.12,(.67,1.4,;-.41,2.49,;-.02,3.97,;-1.9,2.09,;-.87,.94,;-1.35,-.52,;-2.85,-.84,;-3.88,.3,;-3.41,1.77,;-1.95,-2.09,;-.41,-2.09,;.36,-3.42,;-.41,-4.75,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(C[C@H](F)COc1ccnc3CCCCc13)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.34,3.2,11.12,c:27,(.67,1.4,;-.41,2.49,;-.02,3.97,;-1.9,2.09,;-.87,.94,;-1.35,-.52,;-2.85,-.84,;-3.88,.3,;-3.41,1.77,;-1.95,-2.09,;-.41,-2.09,;.36,-3.42,;-.41,-4.75,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;4.98,-.75,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CC(F)COc1ccnc3CCCCc13)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.36,c:27,(.67,1.4,;-.41,2.49,;-.02,3.97,;-1.9,2.09,;-.87,.94,;-1.35,-.52,;-2.85,-.84,;-3.88,.3,;-3.41,1.77,;-1.95,-2.09,;-.41,-2.09,;.36,-3.42,;-.41,-4.75,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;4.98,-.75,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,)|
C[C@@H]1CCCc2nccc(OC[C@H](F)CC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:23.23,26.40,wD:26.31,12.12,1.0,(2.67,.58,;4.21,.58,;4.98,1.91,;6.52,1.91,;7.29,.58,;6.52,-.75,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,;2.67,-2.09,;1.9,-3.42,;.36,-3.42,;-.41,-4.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;4.98,-.75,)|
C[C@@H]1CCCc2nccc(OC[C@@H](F)CC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:23.23,26.40,12.12,wD:26.31,1.0,(2.67,.58,;4.21,.58,;4.98,1.91,;6.52,1.91,;7.29,.58,;6.52,-.75,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,;2.67,-2.09,;1.9,-3.42,;.36,-3.42,;-.41,-4.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;4.98,-.75,)|
C[C@H]1CCCc2nccc(OC[C@H](F)CC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:23.23,26.40,1.0,wD:26.31,12.12,(2.67,.58,;4.21,.58,;4.98,1.91,;6.52,1.91,;7.29,.58,;6.52,-.75,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,;2.67,-2.09,;1.9,-3.42,;.36,-3.42,;-.41,-4.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;4.98,-.75,)|
C[C@H]1CCCc2nccc(OC[C@@H](F)CC3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:23.23,26.40,12.12,1.0,wD:26.31,(2.67,.58,;4.21,.58,;4.98,1.91,;6.52,1.91,;7.29,.58,;6.52,-.75,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,;2.67,-2.09,;1.9,-3.42,;.36,-3.42,;-.41,-4.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;4.98,-.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CC(COc1ccnc3ccsc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,3.2,wD:3.37,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7,1.38,;5.75,2.28,;4.51,1.38,;4.98,-.09,;-.41,-4.09,;.36,-5.42,;-1.95,-4.09,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](CC(COc1ccnc3CCCCc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.36,3.2,9.10,wD:3.38,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7.29,1.25,;6.52,2.58,;4.98,2.58,;4.21,1.25,;4.98,-.09,;-.41,-4.09,;.36,-5.42,;-1.95,-4.09,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](CC(COc1ccnc3CCCCc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.36,3.2,wD:3.38,9.10,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7.29,1.25,;6.52,2.58,;4.98,2.58,;4.21,1.25,;4.98,-.09,;-.41,-4.09,;.36,-5.42,;-1.95,-4.09,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
C[C@@H]1CCCc2nccc(OC[C@@H](CF)CC3=Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:27.41,12.14,wD:27.32,24.25,1.0,t:16,(2.67,.58,;4.21,.58,;4.98,1.91,;6.52,1.91,;7.29,.58,;6.52,-.75,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,;2.67,-2.09,;1.9,-3.42,;.36,-3.42,;-.41,-4.75,;-1.95,-4.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;4.98,-.75,)|
C[C@@H]1CCCc2nccc(OC[C@H](CF)CC3=Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:27.41,wD:27.32,24.25,12.14,1.0,t:16,(2.67,.58,;4.21,.58,;4.98,1.91,;6.52,1.91,;7.29,.58,;6.52,-.75,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,;2.67,-2.09,;1.9,-3.42,;.36,-3.42,;-.41,-4.75,;-1.95,-4.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;4.98,-.75,)|
C[C@@H]1CCCc2nccc(OC[C@H](CC3=Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)C(F)F)c12 |r,wU:25.39,12.12,wD:25.30,22.23,1.0,t:14,(2.67,1.25,;4.21,1.25,;4.98,2.58,;6.52,2.58,;7.29,1.25,;6.52,-.09,;7.29,-1.42,;6.52,-2.75,;4.98,-2.75,;4.21,-1.42,;2.67,-1.42,;1.9,-2.75,;.36,-2.75,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;4.98,-.09,)|
C[C@@H]1CCCc2nccc(OC[C@@H](CC3=Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)C(F)F)c12 |r,wU:25.39,wD:25.30,22.23,12.12,1.0,t:14,(2.67,1.25,;4.21,1.25,;4.98,2.58,;6.52,2.58,;7.29,1.25,;6.52,-.09,;7.29,-1.42,;6.52,-2.75,;4.98,-2.75,;4.21,-1.42,;2.67,-1.42,;1.9,-2.75,;.36,-2.75,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;4.98,-.09,)|
C[C@@H]1CCCc2nccc(OC[C@H](C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)C(F)F)c12 |r,wU:25.39,22.22,14.13,12.12,wD:25.30,1.0,(2.67,1.25,;4.21,1.25,;4.98,2.58,;6.52,2.58,;7.29,1.25,;6.52,-.09,;7.29,-1.42,;6.52,-2.75,;4.98,-2.75,;4.21,-1.42,;2.67,-1.42,;1.9,-2.75,;.36,-2.75,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;4.98,-.09,)|
C[C@@H]1CCCc2nccc(OC[C@@H](C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)C(F)F)c12 |r,wU:25.39,22.22,14.13,wD:25.30,12.12,1.0,(2.67,1.25,;4.21,1.25,;4.98,2.58,;6.52,2.58,;7.29,1.25,;6.52,-.09,;7.29,-1.42,;6.52,-2.75,;4.98,-2.75,;4.21,-1.42,;2.67,-1.42,;1.9,-2.75,;.36,-2.75,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;4.98,-.09,)|
C[C@@H]1CCCc2nccc(OC[C@H](C[C@@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)C(F)F)c12 |r,wU:25.39,22.22,12.12,wD:25.30,14.13,1.0,(2.67,1.25,;4.21,1.25,;4.98,2.58,;6.52,2.58,;7.29,1.25,;6.52,-.09,;7.29,-1.42,;6.52,-2.75,;4.98,-2.75,;4.21,-1.42,;2.67,-1.42,;1.9,-2.75,;.36,-2.75,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;4.98,-.09,)|
C[C@@H]1CCCc2nccc(OC[C@@H](C[C@@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)C(F)F)c12 |r,wU:25.39,22.22,wD:25.30,14.13,12.12,1.0,(2.67,1.25,;4.21,1.25,;4.98,2.58,;6.52,2.58,;7.29,1.25,;6.52,-.09,;7.29,-1.42,;6.52,-2.75,;4.98,-2.75,;4.21,-1.42,;2.67,-1.42,;1.9,-2.75,;.36,-2.75,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;4.98,-.09,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@H](COc1ccnc3ccsc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.35,wD:3.37,9.10,11.11,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7,1.38,;5.75,2.28,;4.51,1.38,;4.98,-.09,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@@H](COc1ccnc3ccsc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.35,11.11,wD:3.37,9.10,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7,1.38,;5.75,2.28,;4.51,1.38,;4.98,-.09,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@H](COc1ccnc3ccsc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.35,9.10,wD:3.37,11.11,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7,1.38,;5.75,2.28,;4.51,1.38,;4.98,-.09,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](COc1ccnc3ccsc13)C(F)F)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,6.35,9.10,11.11,wD:3.37,(.67,2.06,;-.41,3.15,;-.02,4.64,;-1.9,2.75,;-.87,1.61,;-1.35,.15,;-2.85,-.17,;-3.88,.97,;-3.41,2.43,;-1.95,-1.42,;-.41,-1.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;7,1.38,;5.75,2.28,;4.51,1.38,;4.98,-.09,;-.41,-4.09,;-1.95,-4.09,;.36,-5.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,)|
CC(C)[C@H](COc1cccnc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,3.12,wD:24.30,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@@H](COc1cccnc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,wD:24.30,3.12,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@@H](COc1cccnc1)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,wD:24.30,13.13,3.12,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@H](COc1ccccc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,3.12,wD:24.30,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@@H](COc1ccccc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,wD:24.30,3.12,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@@H](COc1ccccc1)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,wD:24.30,13.13,3.12,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@@H](COc1ccncc1)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,wD:24.30,13.13,3.12,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@H](COc1ccncc1)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,3.12,wD:24.30,13.13,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@@H](COc1ccncc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,wD:24.30,3.12,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC(C)[C@H](COc1ccncc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,3.12,wD:24.30,(-1.95,-4.09,;-.41,-4.09,;.36,-5.42,;.36,-2.75,;1.9,-2.75,;2.67,-1.42,;4.21,-1.42,;4.98,-2.75,;6.52,-2.75,;7.29,-1.42,;6.52,-.09,;4.98,-.09,;-.41,-1.42,;-1.95,-1.42,;-2.85,-2.67,;-4.32,-2.19,;-5.65,-2.96,;-6.99,-2.19,;-6.99,-.65,;-5.65,.12,;-4.32,-.65,;-2.85,-.17,;-1.35,.15,;-.87,1.61,;-1.9,2.75,;-3.41,2.43,;-3.88,.97,;-2.67,4.09,;-4.21,4.09,;-4.98,5.42,;-6.52,5.42,;-7.29,4.09,;-6.52,2.75,;-7.29,1.42,;-4.98,2.75,;-.41,3.15,;.67,2.06,;-.02,4.64,)|
CC[C@H](COc1ccnc2ccsc12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,2.15,wD:26.33,15.16,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@H](COc1ccnc2ccsc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,15.16,2.15,wD:26.33,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@@H](COc1ccnc2ccsc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,15.16,wD:26.33,2.15,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@@H](COc1ccnc2ccsc12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,wD:26.33,15.16,2.15,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@H](COc1cccnc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,12.12,2.11,wD:23.29,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@H](COc1ccccc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,12.12,2.11,wD:23.29,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@H](COc1ccncc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,12.12,2.11,wD:23.29,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.64,1.26,;.08,3.87,)|
CC[C@H](COc1ccncc1)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,2.11,wD:23.29,12.12,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.64,1.26,;.08,3.87,)|
CC[C@@H](COc1ccncc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:20.21,23.38,12.12,wD:23.29,2.11,(-1.95,-4.75,;-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.64,1.26,;.08,3.87,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](COc1ccnc3ccsc13)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.39,3.2,9.10,11.11,wD:3.41,(.64,2.6,;-.4,3.74,;.08,5.21,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;7,2.04,;5.75,2.95,;4.51,2.04,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
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OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@H](COc1ccnc3ccsc13)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.39,3.2,9.10,wD:3.41,11.11,(.64,2.6,;-.4,3.74,;.08,5.21,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;7,2.04,;5.75,2.95,;4.51,2.04,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](COc1cccnc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,9.10,11.21,3.2,wD:3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@@H](COc1cccnc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,11.21,3.2,wD:9.10,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@H](COc1cccnc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,3.2,wD:9.10,11.21,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@H](COc1cccnc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,9.10,3.2,wD:11.21,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](COc1ccncc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,9.10,11.21,3.2,wD:3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@@H](COc1ccncc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,11.21,3.2,wD:9.10,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@H](COc1ccncc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,3.2,wD:9.10,11.21,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@H](COc1ccncc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,9.10,3.2,wD:11.21,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](COc1ccccc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,9.10,11.21,3.2,wD:3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@H](COc1ccccc1)c1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.35,3.2,wD:9.10,11.21,3.37,(.67,2.73,;-.41,3.82,;-.02,5.31,;-1.9,3.42,;-.87,2.28,;-1.35,.81,;-2.85,.49,;-3.88,1.64,;-3.41,3.1,;-1.95,-.75,;-.41,-.75,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;4.98,.58,;-.41,-3.42,;-1.95,-3.42,;-2.72,-4.75,;-1.95,-6.09,;-.41,-6.09,;.36,-4.75,;-2.85,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(CC1CCN(CC1)C(=O)OC(C)(C)C)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:4.3,wD:7.10,4.35,c:26,(2.55,3.8,;1.06,3.4,;-.03,4.49,;.37,5.97,;-1.52,4.09,;-.49,2.94,;-.96,1.48,;-2.47,1.16,;-3.5,2.3,;-3.02,3.77,;-1.56,-.09,;-.02,-.09,;.75,-1.42,;-.02,-2.75,;.75,-4.09,;2.29,-4.09,;3.06,-2.75,;2.29,-1.42,;3.06,-5.42,;2.29,-6.76,;4.6,-5.42,;5.37,-4.09,;6.91,-4.09,;4.6,-2.75,;6.14,-2.75,;-2.47,-1.33,;-3.93,-.86,;-5.27,-1.63,;-6.6,-.86,;-6.6,.68,;-5.27,1.45,;-3.93,.68,;-2.29,5.42,;-3.83,5.42,;-4.6,6.76,;-6.14,6.76,;-6.91,5.42,;-6.14,4.09,;-6.91,2.75,;-4.6,4.09,)|
OC(=O)[C@]1(CC[C@@]2(CC1)C(CC(COc1ccnc3ccsc13)Cc1ccccc1)=Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:3.2,wD:6.9,3.42,c:33,(.68,2.54,;-.41,3.63,;-.01,5.12,;-1.9,3.23,;-.87,2.08,;-1.35,.62,;-2.86,.3,;-3.88,1.45,;-3.41,2.91,;-1.95,-.94,;-.41,-.94,;.36,-2.28,;1.9,-2.28,;2.67,-.94,;4.21,-.94,;4.98,-2.28,;6.52,-2.28,;7.29,-.94,;6.52,.39,;6.99,1.85,;5.75,2.76,;4.5,1.85,;4.98,.39,;-.41,-3.61,;-1.9,-4.01,;-2.99,-2.92,;-4.48,-3.32,;-4.87,-4.81,;-3.79,-5.9,;-2.3,-5.5,;-2.86,-2.19,;-4.32,-1.71,;-5.65,-2.48,;-6.99,-1.71,;-6.99,-.17,;-5.65,.6,;-4.32,-.17,;-2.67,4.56,;-4.21,4.56,;-4.98,5.9,;-6.52,5.9,;-7.29,4.56,;-6.52,3.23,;-7.29,1.9,;-4.98,3.23,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](COc1ccnc3ccsc13)Cc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.40,9.10,11.11,3.2,wD:3.42,(.68,2.54,;-.41,3.63,;-.01,5.12,;-1.9,3.23,;-.87,2.08,;-1.35,.62,;-2.86,.3,;-3.88,1.45,;-3.41,2.91,;-1.95,-.94,;-.41,-.94,;.36,-2.28,;1.9,-2.28,;2.67,-.94,;4.21,-.94,;4.98,-2.28,;6.52,-2.28,;7.29,-.94,;6.52,.39,;6.99,1.85,;5.75,2.76,;4.5,1.85,;4.98,.39,;-.41,-3.61,;-1.9,-4.01,;-2.99,-2.92,;-4.48,-3.32,;-4.87,-4.81,;-3.79,-5.9,;-2.3,-5.5,;-2.86,-2.19,;-4.32,-1.71,;-5.65,-2.48,;-6.99,-1.71,;-6.99,-.17,;-5.65,.6,;-4.32,-.17,;-2.67,4.56,;-4.21,4.56,;-4.98,5.9,;-6.52,5.9,;-7.29,4.56,;-6.52,3.23,;-7.29,1.9,;-4.98,3.23,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@H](COc1ccnc3ccsc13)Cc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.40,9.10,3.2,wD:11.11,3.42,(.68,2.54,;-.41,3.63,;-.01,5.12,;-1.9,3.23,;-.87,2.08,;-1.35,.62,;-2.86,.3,;-3.88,1.45,;-3.41,2.91,;-1.95,-.94,;-.41,-.94,;.36,-2.28,;1.9,-2.28,;2.67,-.94,;4.21,-.94,;4.98,-2.28,;6.52,-2.28,;7.29,-.94,;6.52,.39,;6.99,1.85,;5.75,2.76,;4.5,1.85,;4.98,.39,;-.41,-3.61,;-1.9,-4.01,;-2.99,-2.92,;-4.48,-3.32,;-4.87,-4.81,;-3.79,-5.9,;-2.3,-5.5,;-2.86,-2.19,;-4.32,-1.71,;-5.65,-2.48,;-6.99,-1.71,;-6.99,-.17,;-5.65,.6,;-4.32,-.17,;-2.67,4.56,;-4.21,4.56,;-4.98,5.9,;-6.52,5.9,;-7.29,4.56,;-6.52,3.23,;-7.29,1.9,;-4.98,3.23,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@@H](COc1ccnc3ccsc13)Cc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.40,11.11,3.2,wD:9.10,3.42,(.68,2.54,;-.41,3.63,;-.01,5.12,;-1.9,3.23,;-.87,2.08,;-1.35,.62,;-2.86,.3,;-3.88,1.45,;-3.41,2.91,;-1.95,-.94,;-.41,-.94,;.36,-2.28,;1.9,-2.28,;2.67,-.94,;4.21,-.94,;4.98,-2.28,;6.52,-2.28,;7.29,-.94,;6.52,.39,;6.99,1.85,;5.75,2.76,;4.5,1.85,;4.98,.39,;-.41,-3.61,;-1.9,-4.01,;-2.99,-2.92,;-4.48,-3.32,;-4.87,-4.81,;-3.79,-5.9,;-2.3,-5.5,;-2.86,-2.19,;-4.32,-1.71,;-5.65,-2.48,;-6.99,-1.71,;-6.99,-.17,;-5.65,.6,;-4.32,-.17,;-2.67,4.56,;-4.21,4.56,;-4.98,5.9,;-6.52,5.9,;-7.29,4.56,;-6.52,3.23,;-7.29,1.9,;-4.98,3.23,)|
OC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@H](COc1ccnc3ccsc13)Cc1ccccc1)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:6.40,3.2,wD:9.10,11.11,3.42,(.68,2.54,;-.41,3.63,;-.01,5.12,;-1.9,3.23,;-.87,2.08,;-1.35,.62,;-2.86,.3,;-3.88,1.45,;-3.41,2.91,;-1.95,-.94,;-.41,-.94,;.36,-2.28,;1.9,-2.28,;2.67,-.94,;4.21,-.94,;4.98,-2.28,;6.52,-2.28,;7.29,-.94,;6.52,.39,;6.99,1.85,;5.75,2.76,;4.5,1.85,;4.98,.39,;-.41,-3.61,;-1.9,-4.01,;-2.99,-2.92,;-4.48,-3.32,;-4.87,-4.81,;-3.79,-5.9,;-2.3,-5.5,;-2.86,-2.19,;-4.32,-1.71,;-5.65,-2.48,;-6.99,-1.71,;-6.99,-.17,;-5.65,.6,;-4.32,-.17,;-2.67,4.56,;-4.21,4.56,;-4.98,5.9,;-6.52,5.9,;-7.29,4.56,;-6.52,3.23,;-7.29,1.9,;-4.98,3.23,)|
CCCC#C[C@H](COc1ccnc2ccsc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:5.18,29.45,wD:26.29,29.36,t:20,(-4.26,-4.75,;-3.49,-6.09,;-1.95,-6.09,;-1.18,-4.75,;-.41,-3.42,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;6.99,2.05,;5.75,2.95,;4.5,2.05,;4.98,.58,;-.41,-.75,;-1.95,-.75,;-2.86,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.86,.49,;-1.35,.81,;-.87,2.27,;-1.9,3.42,;-3.41,3.1,;-3.88,1.64,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,;-.41,3.82,;.68,2.73,;-.01,5.31,)|
CCCC#C[C@@H](COc1ccnc2ccsc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,wD:26.29,5.18,29.36,t:20,(-4.26,-4.75,;-3.49,-6.09,;-1.95,-6.09,;-1.18,-4.75,;-.41,-3.42,;.36,-2.09,;1.9,-2.09,;2.67,-.75,;4.21,-.75,;4.98,-2.09,;6.52,-2.09,;7.29,-.75,;6.52,.58,;6.99,2.05,;5.75,2.95,;4.5,2.05,;4.98,.58,;-.41,-.75,;-1.95,-.75,;-2.86,-2,;-4.32,-1.52,;-5.65,-2.29,;-6.99,-1.52,;-6.99,.02,;-5.65,.79,;-4.32,.02,;-2.86,.49,;-1.35,.81,;-.87,2.27,;-1.9,3.42,;-3.41,3.1,;-3.88,1.64,;-2.67,4.75,;-4.21,4.75,;-4.98,6.09,;-6.52,6.09,;-7.29,4.75,;-6.52,3.42,;-7.29,2.09,;-4.98,3.42,;-.41,3.82,;.68,2.73,;-.01,5.31,)|
C[C@@H]1CCCc2nccc(OCC(CC3=Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c3ccccn3)c12 |r,wU:25.39,wD:22.23,25.30,1.0,t:14,(2.75,1.89,;4.29,1.89,;5.06,3.22,;6.6,3.22,;7.37,1.89,;6.6,.56,;7.37,-.78,;6.6,-2.11,;5.06,-2.11,;4.29,-.78,;2.75,-.78,;1.98,-2.11,;.44,-2.11,;-.33,-.78,;-1.87,-.78,;-2.78,-2.02,;-4.24,-1.55,;-5.57,-2.32,;-6.91,-1.55,;-6.91,-.01,;-5.57,.76,;-4.24,-.01,;-2.78,.47,;-1.29,.87,;-.89,2.36,;-1.98,3.44,;-3.47,3.05,;-3.87,1.56,;-2.75,4.78,;-4.29,4.78,;-5.06,6.11,;-6.6,6.11,;-7.37,4.78,;-6.6,3.44,;-7.37,2.11,;-5.06,3.44,;-.49,3.84,;.6,2.75,;-.09,5.33,;-.33,-3.44,;-1.87,-3.44,;-2.64,-4.78,;-1.87,-6.11,;-.33,-6.11,;.44,-4.78,;5.06,.56,)|
C[C@@H](COc1ccccc1)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.20,22.37,wD:1.0,22.28,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1cccnc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:19.20,22.37,11.11,wD:1.0,22.28,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-.78,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
CNc1cccc(OC[C@H](C)C[C@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)c1 |r,wU:20.20,23.37,12.11,wD:9.9,23.28,(6.6,1.89,;7.37,.56,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-.78,)|
C[C@@H](C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C1CCC(=O)CC1 |r,wU:14.28,11.11,3.2,1.0,wD:14.19,(-.14,-4.71,;.63,-3.38,;-.14,-2.05,;-1.68,-2.05,;-2.58,-3.29,;-4.05,-2.82,;-5.38,-3.59,;-6.71,-2.82,;-6.71,-1.28,;-5.38,-.51,;-4.05,-1.28,;-2.58,-.8,;-1.06,-.6,;-.47,.82,;-1.4,2.05,;-2.93,1.84,;-3.52,.42,;-2.17,3.38,;-3.71,3.38,;-4.48,4.71,;-6.02,4.71,;-6.79,3.38,;-6.02,2.05,;-6.79,.71,;-4.48,2.05,;.08,2.44,;1.17,1.36,;.48,3.93,;2.17,-3.38,;2.94,-4.71,;4.48,-4.71,;5.25,-3.38,;6.79,-3.38,;4.48,-2.05,;2.94,-2.05,)|
C[C@H](C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C1CCC(=O)CC1 |r,wU:14.28,11.11,3.2,wD:14.19,1.0,(-.14,-4.71,;.63,-3.38,;-.14,-2.05,;-1.68,-2.05,;-2.58,-3.29,;-4.05,-2.82,;-5.38,-3.59,;-6.71,-2.82,;-6.71,-1.28,;-5.38,-.51,;-4.05,-1.28,;-2.58,-.8,;-1.06,-.6,;-.47,.82,;-1.4,2.05,;-2.93,1.84,;-3.52,.42,;-2.17,3.38,;-3.71,3.38,;-4.48,4.71,;-6.02,4.71,;-6.79,3.38,;-6.02,2.05,;-6.79,.71,;-4.48,2.05,;.08,2.44,;1.17,1.36,;.48,3.93,;2.17,-3.38,;2.94,-4.71,;4.48,-4.71,;5.25,-3.38,;6.79,-3.38,;4.48,-2.05,;2.94,-2.05,)|
C[C@@H](C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C1CCC(=O)CC1 |r,wU:14.28,11.11,1.0,wD:14.19,3.2,(-.14,-4.71,;.63,-3.38,;-.14,-2.05,;-1.68,-2.05,;-2.58,-3.29,;-4.05,-2.82,;-5.38,-3.59,;-6.71,-2.82,;-6.71,-1.28,;-5.38,-.51,;-4.05,-1.28,;-2.58,-.8,;-1.06,-.6,;-.47,.82,;-1.4,2.05,;-2.93,1.84,;-3.52,.42,;-2.17,3.38,;-3.71,3.38,;-4.48,4.71,;-6.02,4.71,;-6.79,3.38,;-6.02,2.05,;-6.79,.71,;-4.48,2.05,;.08,2.44,;1.17,1.36,;.48,3.93,;2.17,-3.38,;2.94,-4.71,;4.48,-4.71,;5.25,-3.38,;6.79,-3.38,;4.48,-2.05,;2.94,-2.05,)|
C[C@H](C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C1CCC(=O)CC1 |r,wU:14.28,11.11,wD:14.19,3.2,1.0,(-.14,-4.71,;.63,-3.38,;-.14,-2.05,;-1.68,-2.05,;-2.58,-3.29,;-4.05,-2.82,;-5.38,-3.59,;-6.71,-2.82,;-6.71,-1.28,;-5.38,-.51,;-4.05,-1.28,;-2.58,-.8,;-1.06,-.6,;-.47,.82,;-1.4,2.05,;-2.93,1.84,;-3.52,.42,;-2.17,3.38,;-3.71,3.38,;-4.48,4.71,;-6.02,4.71,;-6.79,3.38,;-6.02,2.05,;-6.79,.71,;-4.48,2.05,;.08,2.44,;1.17,1.36,;.48,3.93,;2.17,-3.38,;2.94,-4.71,;4.48,-4.71,;5.25,-3.38,;6.79,-3.38,;4.48,-2.05,;2.94,-2.05,)|
C[C@@H](CNc1ccncc1)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.37,19.20,wD:22.28,11.11,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](CNc1ccncc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.37,19.20,11.11,wD:22.28,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccncc1C)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.38,20.21,wD:23.29,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;4.1,.62,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccncc1C1CC1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.41,22.24,14.15,wD:25.32,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;4.1,.62,;4.1,2.16,;2.76,1.39,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccncc1C(F)(F)F)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.41,23.24,15.15,wD:26.32,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;4.1,.62,;2.56,.62,;4.87,1.96,;3.33,1.96,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccnc(CO)c1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.39,21.22,13.13,wD:24.30,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;7.18,.62,;6.41,1.96,;4.87,-.71,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccncc1C1CC1(C)C)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,16.17,wD:27.34,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;4.1,.62,;2.76,1.39,;4.1,2.16,;4.1,3.7,;5.43,2.93,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccnc(c1)C(F)F)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.40,22.23,14.14,wD:25.31,1.0,(-1.29,-4.71,;-.52,-3.38,;1.02,-3.38,;1.79,-2.05,;3.33,-2.05,;4.1,-3.38,;5.64,-3.38,;6.41,-2.05,;5.64,-.71,;4.1,-.71,;6.41,.62,;7.95,.62,;5.64,1.96,;-1.29,-2.05,;-2.83,-2.05,;-3.74,-3.29,;-5.2,-2.82,;-6.54,-3.59,;-7.87,-2.82,;-7.87,-1.28,;-6.54,-.51,;-5.2,-1.28,;-3.74,-.8,;-2.21,-.6,;-1.62,.82,;-2.56,2.05,;-4.09,1.84,;-4.67,.42,;-3.33,3.38,;-4.87,3.38,;-5.64,4.71,;-7.18,4.71,;-7.95,3.38,;-7.18,2.05,;-7.95,.71,;-5.64,2.05,;-1.07,2.44,;.02,1.36,;-.67,3.93,)|
C[C@@H](COc1ccncc1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.37,19.20,11.11,wD:22.28,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;4.87,-.71,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1ccnc(N)c1)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.38,20.21,12.12,wD:23.29,1.0,(-.52,-4.71,;.25,-3.38,;1.79,-3.38,;2.56,-2.05,;4.1,-2.05,;4.87,-3.38,;6.41,-3.38,;7.18,-2.05,;6.41,-.71,;7.18,.62,;4.87,-.71,;-.52,-2.05,;-2.06,-2.05,;-2.97,-3.29,;-4.43,-2.82,;-5.77,-3.59,;-7.1,-2.82,;-7.1,-1.28,;-5.77,-.51,;-4.43,-1.28,;-2.97,-.8,;-1.44,-.6,;-.85,.82,;-1.79,2.05,;-3.32,1.84,;-3.9,.42,;-2.56,3.38,;-4.1,3.38,;-4.87,4.71,;-6.41,4.71,;-7.18,3.38,;-6.41,2.05,;-7.18,.71,;-4.87,2.05,;-.3,2.44,;.79,1.36,;.1,3.93,)|
C[C@@H](COc1c(C)cncc1C)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.22,24.39,13.13,wD:24.30,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-.78,;4.29,.56,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
CNc1cc(OC[C@H](C)C[C@H]2Cc3ccccc3[C@@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)ccn1 |r,wU:18.18,21.35,10.9,wD:21.26,7.7,(6.6,1.89,;7.37,.56,;6.6,-.78,;5.06,-.78,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,)|
C[C@@H](COc1ccnc(CO)c1C)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.23,25.40,14.14,wD:25.31,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,-.78,;4.29,.56,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccncc1C(C)C)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.23,25.40,14.14,wD:25.31,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;5.06,-.78,;4.29,.56,;5.06,1.89,;2.75,.56,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
CCc1cnccc1OC[C@H](C)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:21.22,24.39,13.13,wD:24.30,10.11,(5.06,1.89,;4.29,.56,;5.06,-.78,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2ccsc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.41,wD:22.25,25.32,1.0,t:16,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2ccsc12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,wD:25.32,14.15,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2ccsc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,14.15,wD:25.32,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@H](COc1ccnc2ccsc12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,1.0,25.41,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ncnc2CCCc12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,wD:1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1cccc2[nH]ccc12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,wD:1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ncnc2CCC(C)(C)c12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,wD:1.0,27.34,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;3.74,2.04,;2.97,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCCc12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccccc1)C(O)=O |r,wU:22.24,25.40,wD:1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ncnc2CC[C@@H](C)c12)CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,wD:1.0,26.33,11.11,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;3.04,1.19,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCCc12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,wD:14.15,1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,14.15,25.41,wD:1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,15.16,26.42,11.11,wD:1.0,26.33,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;3.04,1.19,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,15.16,26.42,wD:1.0,26.33,11.11,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;3.04,1.19,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CC[C@H](C)c12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,11.11,wD:15.16,1.0,26.33,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;3.04,1.19,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2C(F)CCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,15.16,26.42,wD:1.0,26.33,(-.99,-4.75,;-.22,-3.42,;1.32,-3.42,;2.09,-2.09,;3.63,-2.09,;4.4,-3.42,;5.94,-3.42,;6.71,-2.09,;5.94,-.75,;6.41,.71,;7.88,1.19,;5.17,1.62,;3.92,.71,;4.4,-.75,;-.99,-2.09,;-2.53,-2.09,;-3.44,-3.33,;-4.9,-2.86,;-6.24,-3.63,;-7.57,-2.86,;-7.57,-1.32,;-6.24,-.55,;-4.9,-1.32,;-3.44,-.84,;-1.93,-.52,;-1.46,.94,;-2.49,2.09,;-3.99,1.77,;-4.47,.3,;-3.26,3.42,;-4.8,3.42,;-5.57,4.75,;-7.11,4.75,;-7.88,3.42,;-7.11,2.09,;-7.88,.75,;-5.57,2.09,;-1,2.49,;.09,1.4,;-.6,3.97,)|
C[C@@H](COc1ccnc2sccc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,14.15,25.41,wD:1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2scc(C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,15.16,26.42,wD:1.0,26.33,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;3.04,1.19,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2occc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,14.15,25.41,wD:1.0,25.32,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(C[C@@H](C)C=O)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.23,4.3,wD:12.13,4.25,(4.47,1.8,;2.98,1.4,;1.9,2.49,;2.29,3.97,;.41,2.09,;1.44,.94,;.96,-.52,;-.54,-.84,;-1.57,.3,;-1.1,1.77,;.36,-2.09,;1.9,-2.09,;2.67,-3.42,;1.9,-4.75,;4.21,-3.42,;4.98,-2.09,;-.54,-3.33,;-2.01,-2.86,;-3.34,-3.63,;-4.68,-2.86,;-4.68,-1.32,;-3.34,-.55,;-2.01,-1.32,;-.36,3.42,;-1.9,3.42,;-2.67,4.75,;-4.21,4.75,;-4.98,3.42,;-4.21,2.09,;-4.98,.75,;-2.67,2.09,)|
C[C@@H](COc1ccnc2C(O)CCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,23.25,15.16,wD:26.33,1.0,(-1.01,-4.75,;-.24,-3.42,;1.3,-3.42,;2.07,-2.09,;3.61,-2.09,;4.38,-3.42,;5.92,-3.42,;6.69,-2.09,;5.92,-.75,;6.4,.71,;7.89,1.11,;5.15,1.62,;3.91,.71,;4.38,-.75,;-1.01,-2.09,;-2.55,-2.09,;-3.45,-3.33,;-4.91,-2.86,;-6.25,-3.63,;-7.58,-2.86,;-7.58,-1.32,;-6.25,-.55,;-4.91,-1.32,;-3.45,-.84,;-1.94,-.52,;-1.47,.94,;-2.5,2.09,;-4,1.77,;-4.48,.3,;-3.27,3.42,;-4.81,3.42,;-5.58,4.75,;-7.12,4.75,;-7.89,3.42,;-7.12,2.09,;-7.89,.75,;-5.58,2.09,;-1.01,2.49,;.08,1.4,;-.61,3.97,)|
C[C@@H](COc1ccnc2C(O)CC(C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,16.17,wD:1.0,(-1,-4.75,;-.23,-3.42,;1.3,-3.42,;2.07,-2.09,;3.61,-2.09,;4.38,-3.42,;5.92,-3.42,;6.69,-2.09,;5.92,-.75,;6.4,.71,;7.89,1.11,;5.15,1.62,;3.91,.71,;2.42,1.11,;4.38,-.75,;-1,-2.09,;-2.54,-2.09,;-3.45,-3.33,;-4.91,-2.86,;-6.25,-3.63,;-7.58,-2.86,;-7.58,-1.32,;-6.25,-.55,;-4.91,-1.32,;-3.45,-.84,;-1.94,-.52,;-1.47,.94,;-2.5,2.09,;-4,1.77,;-4.48,.3,;-3.27,3.42,;-4.81,3.42,;-5.58,4.75,;-7.12,4.75,;-7.89,3.42,;-7.12,2.09,;-7.89,.75,;-5.58,2.09,;-1.01,2.49,;.08,1.4,;-.61,3.97,)|
C[C@@H](COc1ccnc2CC(C)(C)Cc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,16.17,wD:1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;6.6,2.93,;5.06,2.93,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
CC[C@@H]1CCc2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:26.40,23.23,15.14,wD:26.31,12.12,2.1,(1.97,.13,;3.12,1.16,;4.58,.69,;5.83,1.59,;7.07,.69,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-.78,)|
CC[C@H]1CCc2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:26.40,23.23,15.14,2.1,wD:26.31,12.12,(1.97,.13,;3.12,1.16,;4.58,.69,;5.83,1.59,;7.07,.69,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-.78,)|
C[C@H](C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)[C@@H](C)Oc1ccnc2CCCc12 |r,wU:3.2,14.28,11.11,wD:1.0,28.32,14.19,(-.33,-4.78,;.44,-3.44,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;1.98,-3.44,;2.75,-4.78,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,)|
C[C@H](C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)[C@@H](C)Oc1ccnc2CCCc12 |r,wU:14.28,11.11,wD:3.2,1.0,28.32,14.19,(-.33,-4.78,;.44,-3.44,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;1.98,-3.44,;2.75,-4.78,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,)|
CC(CC1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)Oc1ccnc2CCCc12 |r,wU:14.28,11.11,wD:14.19,(-.33,-4.78,;.44,-3.44,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;1.98,-3.44,;2.75,-4.78,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,)|
C[C@@H](COc1ccnc2c1CCC2(C)O)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,27.43,24.26,wD:1.0,27.34,(-.93,-4.78,;-.16,-3.44,;1.38,-3.44,;2.15,-2.11,;3.69,-2.11,;4.46,-3.44,;6,-3.44,;6.77,-2.11,;6,-.78,;4.46,-.78,;3.99,.69,;5.23,1.59,;6.48,.69,;7.57,1.78,;7.97,.29,;-.93,-2.11,;-2.47,-2.11,;-3.37,-3.36,;-4.84,-2.88,;-6.17,-3.65,;-7.5,-2.88,;-7.5,-1.34,;-6.17,-.57,;-4.84,-1.34,;-3.37,-.86,;-1.89,-.47,;-1.49,1.02,;-2.58,2.11,;-4.06,1.71,;-4.46,.22,;-3.35,3.44,;-4.89,3.44,;-5.66,4.78,;-7.2,4.78,;-7.97,3.44,;-7.2,2.11,;-7.97,.78,;-5.66,2.11,;-1.09,2.51,;0,1.42,;-.69,4,)|
C[C@@H](COc1ccnc2ccn(C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:15.16,26.42,23.25,wD:1.0,26.33,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;3.25,1.46,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2C[C@H]3CCC[C@@H]3c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:14.15,17.19,28.45,25.28,wD:10.9,1.0,28.36,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;5.35,3.06,;3.81,3.06,;3.34,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2C[C@@H]3CCC[C@@H]3c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:10.9,14.15,17.19,28.45,25.28,wD:1.0,28.36,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;5.35,3.06,;3.81,3.06,;3.34,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
CC(C)(COc1ccnc2sccc12)C[C@@H]1Cc2ccccc2C11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,wD:15.16,26.33,(-.41,-4.68,;.36,-3.34,;.76,-4.83,;1.9,-3.34,;2.67,-2.01,;4.21,-2.01,;4.98,-3.34,;6.52,-3.34,;7.29,-2.01,;6.52,-.68,;7,.79,;5.75,1.69,;4.51,.79,;4.98,-.68,;-.41,-2.01,;-1.95,-2.01,;-2.85,-3.26,;-4.32,-2.78,;-5.65,-3.55,;-6.99,-2.78,;-6.99,-1.24,;-5.65,-.47,;-4.32,-1.24,;-2.85,-.76,;-3.88,.38,;-3.41,1.84,;-1.9,2.16,;-.87,1.02,;-1.35,-.44,;-2.67,3.5,;-4.21,3.5,;-4.98,4.83,;-6.52,4.83,;-7.29,3.5,;-6.52,2.16,;-7.29,.83,;-4.98,2.16,;-.41,2.56,;.67,1.47,;-.02,4.05,)|
CC(C)(COc1ccnc2sccc12)C[C@H]1Cc2ccccc2C11CC[C@@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:15.16,26.42,wD:26.33,(-.41,-4.68,;.36,-3.34,;.76,-4.83,;1.9,-3.34,;2.67,-2.01,;4.21,-2.01,;4.98,-3.34,;6.52,-3.34,;7.29,-2.01,;6.52,-.68,;7,.79,;5.75,1.69,;4.51,.79,;4.98,-.68,;-.41,-2.01,;-1.95,-2.01,;-2.85,-3.26,;-4.32,-2.78,;-5.65,-3.55,;-6.99,-2.78,;-6.99,-1.24,;-5.65,-.47,;-4.32,-1.24,;-2.85,-.76,;-3.88,.38,;-3.41,1.84,;-1.9,2.16,;-.87,1.02,;-1.35,-.44,;-2.67,3.5,;-4.21,3.5,;-4.98,4.83,;-6.52,4.83,;-7.29,3.5,;-6.52,2.16,;-7.29,.83,;-4.98,2.16,;-.41,2.56,;.67,1.47,;-.02,4.05,)|
CCC1CC(O)c2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:16.15,24.24,27.41,wD:27.32,13.13,(1.31,.16,;2.46,1.19,;3.92,.71,;5.17,1.62,;6.41,.71,;7.88,1.19,;5.94,-.75,;6.71,-2.09,;5.94,-3.42,;4.4,-3.42,;3.63,-2.09,;2.09,-2.09,;1.32,-3.42,;-.22,-3.42,;-.99,-4.75,;-.99,-2.09,;-2.53,-2.09,;-3.44,-3.33,;-4.9,-2.86,;-6.24,-3.63,;-7.57,-2.86,;-7.57,-1.32,;-6.24,-.55,;-4.9,-1.32,;-3.44,-.84,;-1.93,-.52,;-1.46,.94,;-2.49,2.09,;-3.99,1.77,;-4.47,.3,;-3.26,3.42,;-4.8,3.42,;-5.57,4.75,;-7.11,4.75,;-7.88,3.42,;-7.11,2.09,;-7.88,.75,;-5.57,2.09,;-1,2.49,;.09,1.4,;-.6,3.97,;4.4,-.75,)|
C[C@@H](COc1cccc2ncsc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:14.15,22.24,25.41,wD:25.32,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7,.71,;5.75,1.62,;4.51,.71,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2[nH]ccc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O
C[C@@H](CNc1ccnc2ccsc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,14.15,wD:25.32,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1c[nH]c2ccccc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:22.24,25.41,14.15,wD:1.0,(-.55,-4.78,;.22,-3.44,;1.76,-3.44,;2.53,-2.11,;4.07,-2.11,;4.98,-3.36,;6.44,-2.88,;6.44,-1.34,;7.59,-.31,;7.27,1.2,;5.8,1.67,;4.66,.64,;4.98,-.86,;-.55,-2.11,;-2.09,-2.11,;-2.99,-3.36,;-4.46,-2.88,;-5.79,-3.65,;-7.13,-2.88,;-7.13,-1.34,;-5.79,-.57,;-4.46,-1.34,;-2.99,-.86,;-1.51,-.47,;-1.11,1.02,;-2.2,2.11,;-3.68,1.71,;-4.08,.22,;-2.97,3.44,;-4.51,3.44,;-5.28,4.78,;-6.82,4.78,;-7.59,3.44,;-6.82,2.11,;-7.59,.78,;-5.28,2.11,;-.71,2.51,;.38,1.42,;-.31,4,)|
C[C@@H](COc1ccnc2CC[C@H](C)c12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,11.11,wD:23.26,26.33,1.0,t:17,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;3.1,1.09,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2CC[C@@H](C)c12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,wD:23.26,26.33,1.0,11.11,t:17,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.07,.69,;5.83,1.59,;4.58,.69,;3.1,1.09,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
COC(=O)[C@]1(CC[C@@]2(CC1)[C@@H](C[C@@H](C)COc1ccnc3c(Cl)cn(C)c13)Cc1ccccc21)Nc1cccc(Cl)c1 |r,wU:7.36,4.3,10.11,wD:4.38,12.13,(1.49,1.82,;0,1.42,;-1.09,2.51,;-.69,4,;-2.58,2.11,;-1.49,1.02,;-1.89,-.47,;-3.37,-.86,;-4.46,.22,;-4.06,1.71,;-2.47,-2.11,;-.93,-2.11,;-.16,-3.44,;-.93,-4.78,;1.38,-3.44,;2.15,-2.11,;3.69,-2.11,;4.46,-3.44,;6,-3.44,;6.77,-2.11,;6,-.78,;6.48,.69,;7.97,1.09,;5.23,1.59,;3.99,.69,;2.5,1.09,;4.46,-.78,;-3.37,-3.36,;-4.84,-2.88,;-6.17,-3.65,;-7.5,-2.88,;-7.5,-1.34,;-6.17,-.57,;-4.84,-1.34,;-3.35,3.44,;-4.89,3.44,;-5.66,4.78,;-7.2,4.78,;-7.97,3.44,;-7.2,2.11,;-7.97,.78,;-5.66,2.11,)|
C[C@@H](COc1ccnc2CCCCCc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,wD:1.0,t:18,(-.43,-4.78,;.34,-3.44,;1.88,-3.44,;2.65,-2.11,;4.19,-2.11,;4.96,-3.44,;6.5,-3.44,;7.27,-2.11,;6.5,-.78,;7.46,.43,;7.12,1.93,;5.73,2.6,;4.35,1.93,;4,.43,;4.96,-.78,;-.43,-2.11,;-1.97,-2.11,;-2.87,-3.36,;-4.34,-2.88,;-5.67,-3.65,;-7,-2.88,;-7,-1.34,;-5.67,-.57,;-4.34,-1.34,;-2.87,-.86,;-1.38,-.47,;-.99,1.02,;-2.07,2.11,;-3.56,1.71,;-3.96,.22,;-2.84,3.44,;-4.38,3.44,;-5.15,4.78,;-6.69,4.78,;-7.46,3.44,;-6.69,2.11,;-7.46,.78,;-5.15,2.11,;-.59,2.51,;.5,1.42,;-.19,4,)|
C[C@@H](COc1ccnc2CCCCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,wD:27.34,1.0,(-.43,-4.78,;.34,-3.44,;1.88,-3.44,;2.65,-2.11,;4.19,-2.11,;4.96,-3.44,;6.5,-3.44,;7.27,-2.11,;6.5,-.78,;7.46,.43,;7.12,1.93,;5.73,2.6,;4.35,1.93,;4,.43,;4.96,-.78,;-.43,-2.11,;-1.97,-2.11,;-2.87,-3.36,;-4.34,-2.88,;-5.67,-3.65,;-7,-2.88,;-7,-1.34,;-5.67,-.57,;-4.34,-1.34,;-2.87,-.86,;-1.38,-.47,;-.99,1.02,;-2.07,2.11,;-3.56,1.71,;-3.96,.22,;-2.84,3.44,;-4.38,3.44,;-5.15,4.78,;-6.69,4.78,;-7.46,3.44,;-6.69,2.11,;-7.46,.78,;-5.15,2.11,;-.59,2.51,;.5,1.42,;-.19,4,)|
C[C@@H](COc1ccnc2C(O)CCCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,wD:1.0,(-1.17,-4.78,;-.4,-3.44,;1.14,-3.44,;1.91,-2.11,;3.45,-2.11,;4.22,-3.44,;5.76,-3.44,;6.53,-2.11,;5.76,-.78,;6.72,.43,;8.21,.03,;6.38,1.93,;4.99,2.6,;3.6,1.93,;3.26,.43,;4.22,-.78,;-1.17,-2.11,;-2.71,-2.11,;-3.61,-3.36,;-5.08,-2.88,;-6.41,-3.65,;-7.75,-2.88,;-7.75,-1.34,;-6.41,-.57,;-5.08,-1.34,;-3.61,-.86,;-2.13,-.47,;-1.73,1.02,;-2.82,2.11,;-4.31,1.71,;-4.7,.22,;-3.59,3.44,;-5.13,3.44,;-5.9,4.78,;-7.44,4.78,;-8.21,3.44,;-7.44,2.11,;-8.21,.78,;-5.9,2.11,;-1.33,2.51,;-.24,1.42,;-.93,4,)|
C[C@@H](COc1ncnc2CCCCc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,wD:1.0,t:17,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ncnc2CCCCc12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,wD:23.26,26.33,1.0,t:17,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ncnc2CCCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,15.16,wD:26.33,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ncnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,16.17,27.43,wD:12.12,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@H](C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)Cn1cc(C)c(=O)c2[C@@H](C)CCCc12 |r,wU:11.11,3.2,14.28,36.40,wD:1.0,14.19,(-.41,-4.75,;.36,-3.42,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;1.9,-3.42,;2.67,-2.09,;1.9,-.75,;2.67,.58,;1.9,1.91,;4.21,.58,;4.98,1.91,;4.98,-.75,;6.52,-.75,;7.29,.58,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,)|
C[C@H](C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)Cn1cc(C)c(=O)c2[C@H](C)CCCc12 |r,wU:11.11,3.2,14.28,wD:1.0,14.19,36.40,(-.41,-4.75,;.36,-3.42,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,;1.9,-3.42,;2.67,-2.09,;1.9,-.75,;2.67,.58,;1.9,1.91,;4.21,.58,;4.98,1.91,;4.98,-.75,;6.52,-.75,;7.29,.58,;7.29,-2.09,;6.52,-3.42,;4.98,-3.42,;4.21,-2.09,)|
C[C@@H](COc1ccnc2NCC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:12.12,16.17,24.26,27.43,wD:27.34,1.0,(-.28,-4.66,;.49,-3.33,;2.03,-3.33,;2.8,-1.99,;4.34,-1.99,;5.11,-3.33,;6.65,-3.33,;7.42,-1.99,;6.65,-.66,;7.42,.67,;6.65,2.01,;5.11,2.01,;4.34,.67,;2.8,.67,;5.11,-.66,;-.28,-1.99,;-1.82,-1.99,;-2.72,-3.24,;-4.19,-2.76,;-5.52,-3.53,;-6.85,-2.76,;-6.85,-1.22,;-5.52,-.45,;-4.19,-1.22,;-2.72,-.75,;-1.22,-.43,;-.74,1.04,;-1.77,2.18,;-3.28,1.86,;-3.75,.4,;-2.8,3.33,;-4.34,3.33,;-5.11,4.66,;-6.65,4.66,;-7.42,3.33,;-6.65,1.99,;-7.42,.66,;-5.11,1.99,;-.27,2.5,;.76,1.36,;.21,3.97,)|
C[C@@H](COc1ccnc2NCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,24.26,27.43,wD:12.12,27.34,1.0,(-.28,-4.66,;.49,-3.33,;2.03,-3.33,;2.8,-1.99,;4.34,-1.99,;5.11,-3.33,;6.65,-3.33,;7.42,-1.99,;6.65,-.66,;7.42,.67,;6.65,2.01,;5.11,2.01,;4.34,.67,;2.8,.67,;5.11,-.66,;-.28,-1.99,;-1.82,-1.99,;-2.72,-3.24,;-4.19,-2.76,;-5.52,-3.53,;-6.85,-2.76,;-6.85,-1.22,;-5.52,-.45,;-4.19,-1.22,;-2.72,-.75,;-1.22,-.43,;-.74,1.04,;-1.77,2.18,;-3.28,1.86,;-3.75,.4,;-2.8,3.33,;-4.34,3.33,;-5.11,4.66,;-6.65,4.66,;-7.42,3.33,;-6.65,1.99,;-7.42,.66,;-5.11,1.99,;-.27,2.5,;.77,1.36,;.21,3.97,)|
C[C@@H](COc1ccnc2N(C)CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,17.18,25.27,28.44,wD:28.35,1.0,(-1.05,-4.66,;-.28,-3.33,;1.26,-3.33,;2.03,-1.99,;3.57,-1.99,;4.34,-3.33,;5.88,-3.33,;6.65,-1.99,;5.88,-.66,;6.65,.67,;8.19,.67,;5.88,2.01,;4.34,2.01,;3.57,.67,;2.03,.67,;4.34,-.66,;-1.05,-1.99,;-2.59,-1.99,;-3.49,-3.24,;-4.96,-2.76,;-6.29,-3.53,;-7.62,-2.76,;-7.62,-1.22,;-6.29,-.45,;-4.96,-1.22,;-3.49,-.75,;-1.99,-.43,;-1.51,1.04,;-2.54,2.18,;-4.05,1.86,;-4.52,.4,;-3.57,3.33,;-5.11,3.33,;-5.88,4.66,;-7.42,4.66,;-8.19,3.33,;-7.42,1.99,;-8.19,.66,;-5.88,1.99,;-1.04,2.5,;-0,1.36,;-.56,3.97,)|
C[C@@H](COc1ccnc2N(C)CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:17.18,25.27,28.44,wD:13.13,28.35,1.0,(-1.05,-4.66,;-.28,-3.33,;1.26,-3.33,;2.03,-1.99,;3.57,-1.99,;4.34,-3.33,;5.88,-3.33,;6.65,-1.99,;5.88,-.66,;6.65,.67,;8.19,.67,;5.88,2.01,;4.34,2.01,;3.57,.67,;2.03,.67,;4.34,-.66,;-1.05,-1.99,;-2.59,-1.99,;-3.49,-3.24,;-4.96,-2.76,;-6.29,-3.53,;-7.62,-2.76,;-7.62,-1.22,;-6.29,-.45,;-4.96,-1.22,;-3.49,-.75,;-1.99,-.43,;-1.51,1.04,;-2.54,2.18,;-4.05,1.86,;-4.52,.4,;-3.57,3.33,;-5.11,3.33,;-5.88,4.66,;-7.42,4.66,;-8.19,3.33,;-7.42,1.99,;-8.19,.66,;-5.88,1.99,;-1.04,2.5,;-0,1.36,;-.56,3.97,)|
C[C@@H](COc1ccnc2CCCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:15.16,23.25,26.42,wD:26.33,1.0,(-.28,-4.66,;.49,-3.33,;2.03,-3.33,;2.8,-1.99,;4.34,-1.99,;5.11,-3.33,;6.65,-3.33,;7.42,-1.99,;6.65,-.66,;7.42,.67,;6.65,2.01,;5.11,2.01,;4.34,.67,;5.11,-.66,;-.28,-1.99,;-1.82,-1.99,;-2.72,-3.24,;-4.19,-2.76,;-5.52,-3.53,;-6.86,-2.76,;-6.86,-1.22,;-5.52,-.45,;-4.19,-1.22,;-2.72,-.75,;-1.22,-.43,;-.74,1.04,;-1.77,2.18,;-3.28,1.86,;-3.75,.4,;-2.8,3.33,;-4.34,3.33,;-5.11,4.66,;-6.65,4.66,;-7.42,3.33,;-6.65,1.99,;-7.42,.66,;-5.11,1.99,;-.27,2.5,;.77,1.36,;.21,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,wD:24.27,27.34,1.0,12.12,t:18,(-.28,-4.66,;.49,-3.33,;2.03,-3.33,;2.8,-1.99,;4.34,-1.99,;5.11,-3.33,;6.65,-3.33,;7.42,-1.99,;6.65,-.66,;7.42,.67,;6.65,2.01,;5.11,2.01,;4.34,.67,;2.8,.67,;5.11,-.66,;-.28,-1.99,;-1.82,-1.99,;-2.72,-3.24,;-4.19,-2.76,;-5.52,-3.53,;-6.86,-2.76,;-6.86,-1.22,;-5.52,-.45,;-4.19,-1.22,;-2.72,-.75,;-1.22,-.43,;-.74,1.04,;-1.77,2.18,;-3.28,1.86,;-3.75,.4,;-2.8,3.33,;-4.34,3.33,;-5.11,4.66,;-6.65,4.66,;-7.42,3.33,;-6.65,1.99,;-7.42,.66,;-5.11,1.99,;-.27,2.5,;.77,1.36,;.21,3.97,)|
C[C@@H](COc1ccnc2CCC[C@H](C)c12)CC1=Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,12.12,wD:24.27,27.34,1.0,t:18,(-.28,-4.66,;.49,-3.33,;2.03,-3.33,;2.8,-1.99,;4.34,-1.99,;5.11,-3.33,;6.65,-3.33,;7.42,-1.99,;6.65,-.66,;7.42,.67,;6.65,2.01,;5.11,2.01,;4.34,.67,;2.8,.67,;5.11,-.66,;-.28,-1.99,;-1.82,-1.99,;-2.72,-3.24,;-4.19,-2.76,;-5.52,-3.53,;-6.86,-2.76,;-6.86,-1.22,;-5.52,-.45,;-4.19,-1.22,;-2.72,-.75,;-1.22,-.43,;-.74,1.04,;-1.77,2.18,;-3.28,1.86,;-3.75,.4,;-2.8,3.33,;-4.34,3.33,;-5.11,4.66,;-6.65,4.66,;-7.42,3.33,;-6.65,1.99,;-7.42,.66,;-5.11,1.99,;-.27,2.5,;.77,1.36,;.21,3.97,)|
C[C@@H](COc1ccnc2C3CCC(CC3)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.28,17.19,28.45,wD:1.0,28.36,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.33,1.22,;5.17,1.22,;4.21,.58,;4.98,1.91,;6.52,1.91,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.21,4.01,)|
C[C@@H](COc1c(C)cnc2CCCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,16.17,27.43,wD:1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;4.21,-4.75,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.21,4.01,)|
C[C@@H](COc1ccnc2CC(C)CCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,16.17,27.43,wD:1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;7.29,3.25,;4.98,1.91,;4.21,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.21,4.01,)|
C[C@@H](COc1ccnc2CCC(C)Cc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,16.17,27.43,wD:1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,3.25,;4.21,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.21,4.01,)|
C[C@@H](COc1ccnc2CCC(C)(C)Cc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,25.27,17.18,wD:1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;3.65,2.68,;4.98,3.45,;4.21,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,16.17,wD:27.34,1.0,12.12,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,16.17,12.12,wD:27.34,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](CNc1ccnc2CCCC(C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,16.17,wD:27.34,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
CC[C@H]1CCCc2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:27.41,2.1,16.15,24.24,wD:27.32,13.13,(1.98,-.78,;2.75,.56,;4.29,.56,;5.06,1.89,;6.6,1.89,;7.37,.56,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-.78,)|
CC[C@@H]1CCCc2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:27.41,24.24,16.15,wD:2.1,27.32,13.13,(1.84,-.75,;2.61,.59,;4.15,.59,;4.92,1.92,;6.46,1.92,;7.23,.59,;6.46,-.75,;7.23,-2.08,;6.46,-3.42,;4.92,-3.42,;4.15,-2.08,;2.61,-2.08,;1.84,-3.42,;.3,-3.42,;-.47,-4.75,;-.46,-2.08,;-2,-2.08,;-2.91,-3.32,;-4.37,-2.85,;-5.7,-3.62,;-7.04,-2.85,;-7.04,-1.31,;-5.7,-.54,;-4.37,-1.31,;-2.91,-.83,;-1.39,-.56,;-.87,.89,;-1.86,2.07,;-3.38,1.8,;-3.9,.35,;-2.61,3.42,;-4.15,3.42,;-4.92,4.75,;-6.46,4.75,;-7.23,3.42,;-6.46,2.08,;-7.08,.67,;-4.92,2.08,;-.37,2.44,;.7,1.32,;.06,3.91,;4.92,-.75,)|
C[C@@H](COc1ccnc2[C@H](C)CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,28.44,25.27,17.18,9.9,wD:28.35,1.0,(-1.24,-4.75,;-.47,-3.42,;1.07,-3.42,;1.84,-2.08,;3.38,-2.08,;4.15,-3.42,;5.69,-3.42,;6.46,-2.08,;5.69,-.75,;6.46,.59,;8,.59,;5.69,1.92,;4.15,1.92,;3.38,.59,;1.84,.59,;4.15,-.75,;-1.23,-2.08,;-2.77,-2.08,;-3.68,-3.32,;-5.14,-2.85,;-6.47,-3.62,;-7.81,-2.85,;-7.81,-1.31,;-6.47,-.54,;-5.14,-1.31,;-3.68,-.83,;-2.16,-.56,;-1.64,.89,;-2.63,2.07,;-4.15,1.8,;-4.67,.35,;-3.38,3.42,;-4.92,3.42,;-5.69,4.75,;-7.23,4.75,;-8,3.42,;-7.23,2.08,;-7.85,.67,;-5.69,2.08,;-1.14,2.44,;-.07,1.32,;-.71,3.91,)|
C[C@@H](COc1ccnc2[C@H](C)CC[C@H](C)c12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,28.44,25.27,9.9,wD:28.35,17.18,1.0,(-1.24,-4.75,;-.47,-3.42,;1.07,-3.42,;1.84,-2.08,;3.38,-2.08,;4.15,-3.42,;5.69,-3.42,;6.46,-2.08,;5.69,-.75,;6.46,.59,;8,.59,;5.69,1.92,;4.15,1.92,;3.38,.59,;1.84,.59,;4.15,-.75,;-1.23,-2.08,;-2.77,-2.08,;-3.68,-3.32,;-5.14,-2.85,;-6.47,-3.62,;-7.81,-2.85,;-7.81,-1.31,;-6.47,-.54,;-5.14,-1.31,;-3.68,-.83,;-2.16,-.56,;-1.64,.89,;-2.63,2.07,;-4.15,1.8,;-4.67,.35,;-3.38,3.42,;-4.92,3.42,;-5.69,4.75,;-7.23,4.75,;-8,3.42,;-7.23,2.08,;-7.85,.67,;-5.69,2.08,;-1.14,2.44,;-.07,1.32,;-.71,3.91,)|
C[C@@H](COc1ccnc2[C@H](C)CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,25.27,17.18,9.9,wD:13.13,28.35,1.0,(-1.24,-4.75,;-.47,-3.42,;1.07,-3.42,;1.84,-2.08,;3.38,-2.08,;4.15,-3.42,;5.69,-3.42,;6.46,-2.08,;5.69,-.75,;6.46,.59,;8,.59,;5.69,1.92,;4.15,1.92,;3.38,.59,;1.84,.59,;4.15,-.75,;-1.23,-2.08,;-2.77,-2.08,;-3.68,-3.32,;-5.14,-2.85,;-6.47,-3.62,;-7.81,-2.85,;-7.81,-1.31,;-6.47,-.54,;-5.14,-1.31,;-3.68,-.83,;-2.16,-.56,;-1.64,.89,;-2.63,2.07,;-4.15,1.8,;-4.67,.35,;-3.38,3.42,;-4.92,3.42,;-5.69,4.75,;-7.23,4.75,;-8,3.42,;-7.23,2.08,;-7.85,.67,;-5.69,2.08,;-1.14,2.44,;-.07,1.32,;-.71,3.91,)|
C[C@@H](COc1ccnc2[C@@H](C)CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,28.44,25.27,17.18,wD:28.35,1.0,9.9,(-1.24,-4.75,;-.47,-3.42,;1.07,-3.42,;1.84,-2.08,;3.38,-2.08,;4.15,-3.42,;5.69,-3.42,;6.46,-2.08,;5.69,-.75,;6.46,.59,;8,.59,;5.69,1.92,;4.15,1.92,;3.38,.59,;1.84,.59,;4.15,-.75,;-1.23,-2.08,;-2.77,-2.08,;-3.68,-3.32,;-5.14,-2.85,;-6.47,-3.62,;-7.81,-2.85,;-7.81,-1.31,;-6.47,-.54,;-5.14,-1.31,;-3.68,-.83,;-2.16,-.56,;-1.64,.89,;-2.63,2.07,;-4.15,1.8,;-4.67,.35,;-3.38,3.42,;-4.92,3.42,;-5.69,4.75,;-7.23,4.75,;-8,3.42,;-7.23,2.08,;-7.85,.67,;-5.69,2.08,;-1.14,2.44,;-.07,1.32,;-.71,3.91,)|
C[C@@H](COc1cc(C)nc2CCC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,28.44,25.27,17.18,wD:28.35,1.0,(-.47,-4.75,;.3,-3.42,;1.84,-3.42,;2.61,-2.08,;4.15,-2.08,;4.92,-3.42,;6.46,-3.42,;7.23,-4.75,;7.23,-2.08,;6.46,-.75,;7.23,.59,;6.46,1.92,;4.92,1.92,;4.15,.59,;2.61,.59,;4.92,-.75,;-.46,-2.08,;-2,-2.08,;-2.91,-3.32,;-4.37,-2.85,;-5.7,-3.62,;-7.04,-2.85,;-7.04,-1.31,;-5.7,-.54,;-4.37,-1.31,;-2.91,-.83,;-1.39,-.56,;-.87,.89,;-1.86,2.07,;-3.38,1.8,;-3.9,.35,;-2.61,3.42,;-4.15,3.42,;-4.92,4.75,;-6.46,4.75,;-7.23,3.42,;-6.46,2.08,;-7.08,.67,;-4.92,2.08,;-.37,2.44,;.7,1.32,;.06,3.91,)|
C[C@@H](COc1cc(C)nc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,25.27,17.18,wD:13.13,28.35,1.0,(-.47,-4.75,;.3,-3.42,;1.84,-3.42,;2.61,-2.08,;4.15,-2.08,;4.92,-3.42,;6.46,-3.42,;7.23,-4.75,;7.23,-2.08,;6.46,-.75,;7.23,.59,;6.46,1.92,;4.92,1.92,;4.15,.59,;2.61,.59,;4.92,-.75,;-.46,-2.08,;-2,-2.08,;-2.91,-3.32,;-4.37,-2.85,;-5.7,-3.62,;-7.04,-2.85,;-7.04,-1.31,;-5.7,-.54,;-4.37,-1.31,;-2.91,-.83,;-1.39,-.56,;-.87,.89,;-1.86,2.07,;-3.38,1.8,;-3.9,.35,;-2.61,3.42,;-4.15,3.42,;-4.92,4.75,;-6.46,4.75,;-7.23,3.42,;-6.46,2.08,;-7.08,.67,;-4.92,2.08,;-.37,2.44,;.7,1.32,;.06,3.91,)|
C[C@@H](COc1cc(C)nc2C[C@H](C)C[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:14.14,29.45,26.28,18.19,11.11,wD:29.36,1.0,(-.47,-4.75,;.3,-3.42,;1.84,-3.42,;2.61,-2.08,;4.15,-2.08,;4.92,-3.42,;6.46,-3.42,;7.23,-4.75,;7.23,-2.08,;6.46,-.75,;7.23,.59,;6.46,1.92,;7.23,3.25,;4.92,1.92,;4.15,.59,;2.61,.59,;4.92,-.75,;-.46,-2.08,;-2,-2.08,;-2.91,-3.32,;-4.37,-2.85,;-5.7,-3.62,;-7.04,-2.85,;-7.04,-1.31,;-5.7,-.54,;-4.37,-1.31,;-2.91,-.83,;-1.39,-.56,;-.87,.89,;-1.86,2.07,;-3.38,1.8,;-3.9,.35,;-2.61,3.42,;-4.15,3.42,;-4.92,4.75,;-6.46,4.75,;-7.23,3.42,;-6.46,2.08,;-7.08,.67,;-4.92,2.08,;-.37,2.44,;.7,1.32,;.06,3.91,)|
C[C@@H](COc1ccnc2C[C@@H](C)C[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,wD:28.35,1.0,13.13,10.10,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;7.37,3.22,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2C[C@@H](C)C[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,13.13,wD:28.35,1.0,10.10,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;7.37,3.22,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2C[C@H](C)C[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,10.10,wD:28.35,1.0,13.13,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;7.37,3.22,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2[C@H](O)CCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,9.9,wD:27.34,1.0,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@@H](O)CCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,wD:27.34,1.0,9.9,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@H](O)C[C@@H](C)Cc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:9.9,25.27,28.44,17.18,wD:12.12,1.0,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,3.22,;3.52,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.63,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
CO[C@H]1CCCc2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:24.24,27.41,16.15,2.1,wD:27.32,13.13,(1.98,-.78,;2.75,.56,;4.29,.56,;5.06,1.89,;6.6,1.89,;7.37,.56,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-.78,)|
CO[C@@H]1CCCc2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:24.24,27.41,16.15,wD:27.32,13.13,2.1,(1.98,-.78,;2.75,.56,;4.29,.56,;5.06,1.89,;6.6,1.89,;7.37,.56,;6.6,-.78,;7.37,-2.11,;6.6,-3.44,;5.06,-3.44,;4.29,-2.11,;2.75,-2.11,;1.98,-3.44,;.44,-3.44,;-.33,-4.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,;5.06,-.78,)|
C[C@@H](COc1ccnc2[C@H](O)CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:9.9,17.18,25.27,28.44,wD:13.13,1.0,28.35,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.63,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@H](O)CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,9.9,17.18,25.27,28.44,wD:1.0,28.35,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@@H](O)CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:13.13,17.18,25.27,28.44,wD:9.9,1.0,28.35,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@H](O)CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:9.9,17.18,25.27,28.44,wD:13.13,1.0,28.35,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2C=CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,24.26,27.43,wD:12.12,1.0,27.34,c:9,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.87,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
CC[C@H]1CC[C@@H](O)c2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:2.1,5.5,17.16,25.25,28.42,wD:14.14,28.33,(.98,-.7,;1.75,.63,;3.29,.63,;4.06,1.97,;5.6,1.97,;6.37,.63,;7.91,.63,;5.6,-.7,;6.37,-2.03,;5.6,-3.37,;4.06,-3.37,;3.29,-2.03,;1.75,-2.03,;.98,-3.37,;-.56,-3.37,;-1.33,-4.7,;-1.33,-2.03,;-2.87,-2.03,;-3.78,-3.28,;-5.24,-2.8,;-6.57,-3.57,;-7.91,-2.8,;-7.91,-1.26,;-6.57,-.49,;-5.24,-1.26,;-3.78,-.79,;-2.24,-.79,;-1.47,.55,;-2.24,1.88,;-3.78,1.88,;-4.55,.55,;-2.64,3.37,;-4.18,3.37,;-4.95,4.7,;-6.49,4.7,;-7.26,3.37,;-6.49,2.03,;-7.26,.7,;-4.95,2.03,;-.75,2.28,;.34,1.19,;-.35,3.77,;4.06,-.7,)|
CC[C@@H]1CC[C@@H](O)c2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:5.5,17.16,25.25,28.42,wD:2.1,14.14,28.33,(.98,-.7,;1.75,.63,;3.29,.63,;4.06,1.97,;5.6,1.97,;6.37,.63,;7.91,.63,;5.6,-.7,;6.37,-2.03,;5.6,-3.37,;4.06,-3.37,;3.29,-2.03,;1.75,-2.03,;.98,-3.37,;-.56,-3.37,;-1.33,-4.7,;-1.33,-2.03,;-2.87,-2.03,;-3.78,-3.28,;-5.24,-2.8,;-6.57,-3.57,;-7.91,-2.8,;-7.91,-1.26,;-6.57,-.49,;-5.24,-1.26,;-3.78,-.79,;-2.24,-.79,;-1.47,.55,;-2.24,1.88,;-3.78,1.88,;-4.55,.55,;-2.64,3.37,;-4.18,3.37,;-4.95,4.7,;-6.49,4.7,;-7.26,3.37,;-6.49,2.03,;-7.26,.7,;-4.95,2.03,;-.75,2.28,;.34,1.19,;-.35,3.77,;4.06,-.7,)|
C[C@@H](COc1ccnc2[C@@H](F)CCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,24.26,27.43,wD:9.9,1.0,27.34,(-1.33,-4.7,;-.56,-3.37,;.98,-3.37,;1.75,-2.03,;3.29,-2.03,;4.06,-3.37,;5.6,-3.37,;6.37,-2.03,;5.6,-.7,;6.37,.63,;7.91,.63,;5.6,1.97,;4.06,1.97,;3.29,.63,;4.06,-.7,;-1.33,-2.03,;-2.87,-2.03,;-3.78,-3.28,;-5.24,-2.8,;-6.57,-3.57,;-7.91,-2.8,;-7.91,-1.26,;-6.57,-.49,;-5.24,-1.26,;-3.78,-.79,;-2.24,-.79,;-1.47,.55,;-2.24,1.88,;-3.78,1.88,;-4.55,.55,;-2.64,3.37,;-4.18,3.37,;-4.95,4.7,;-6.49,4.7,;-7.26,3.37,;-6.49,2.03,;-7.26,.7,;-4.95,2.03,;-.75,2.28,;.34,1.19,;-.35,3.77,)|
C[C@@H](COc1ccnc2[C@H](F)CCCc12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:9.9,16.17,24.26,27.43,wD:1.0,27.34,(-1.33,-4.7,;-.56,-3.37,;.98,-3.37,;1.75,-2.03,;3.29,-2.03,;4.06,-3.37,;5.6,-3.37,;6.37,-2.03,;5.6,-.7,;6.37,.63,;7.91,.63,;5.6,1.97,;4.06,1.97,;3.29,.63,;4.06,-.7,;-1.33,-2.03,;-2.87,-2.03,;-3.78,-3.28,;-5.24,-2.8,;-6.57,-3.57,;-7.91,-2.8,;-7.91,-1.26,;-6.57,-.49,;-5.24,-1.26,;-3.78,-.79,;-2.24,-.79,;-1.47,.55,;-2.24,1.88,;-3.78,1.88,;-4.55,.55,;-2.64,3.37,;-4.18,3.37,;-4.95,4.7,;-6.49,4.7,;-7.26,3.37,;-6.49,2.03,;-7.26,.7,;-4.95,2.03,;-.75,2.28,;.34,1.19,;-.35,3.77,)|
C[C@@H](COc1ccnc2[C@H](CCCc12)C(F)F)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,18.19,wD:29.36,1.0,9.15,(-1.49,-4.78,;-.72,-3.44,;.82,-3.44,;1.59,-2.11,;3.13,-2.11,;3.9,-3.44,;5.44,-3.44,;6.21,-2.11,;5.44,-.78,;6.21,.56,;5.44,1.89,;3.9,1.89,;3.13,.56,;3.9,-.78,;7.75,.56,;8.52,1.89,;8.52,-.78,;-1.49,-2.11,;-3.03,-2.11,;-3.93,-3.36,;-5.4,-2.88,;-6.73,-3.65,;-8.06,-2.88,;-8.06,-1.34,;-6.73,-.57,;-5.4,-1.34,;-3.93,-.86,;-2.44,-.47,;-2.04,1.02,;-3.13,2.11,;-4.62,1.71,;-5.02,.22,;-3.9,3.44,;-5.44,3.44,;-6.21,4.78,;-7.75,4.78,;-8.52,3.44,;-7.75,2.11,;-8.52,.78,;-6.21,2.11,;-1.65,2.51,;-.56,1.42,;-1.25,4,)|
C[C@@H](COc1ccnc2[C@@H](CCCc12)C(F)F)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,18.19,9.15,wD:29.36,1.0,(-1.49,-4.78,;-.72,-3.44,;.82,-3.44,;1.59,-2.11,;3.13,-2.11,;3.9,-3.44,;5.44,-3.44,;6.21,-2.11,;5.44,-.78,;6.21,.56,;5.44,1.89,;3.9,1.89,;3.13,.56,;3.9,-.78,;7.75,.56,;8.52,1.89,;8.52,-.78,;-1.49,-2.11,;-3.03,-2.11,;-3.93,-3.36,;-5.4,-2.88,;-6.73,-3.65,;-8.06,-2.88,;-8.06,-1.34,;-6.73,-.57,;-5.4,-1.34,;-3.93,-.86,;-2.44,-.47,;-2.04,1.02,;-3.13,2.11,;-4.62,1.71,;-5.02,.22,;-3.9,3.44,;-5.44,3.44,;-6.21,4.78,;-7.75,4.78,;-8.52,3.44,;-7.75,2.11,;-8.52,.78,;-6.21,2.11,;-1.65,2.51,;-.56,1.42,;-1.25,4,)|
C[C@@H](COc1ccnc2\C(CCCc12)=C\F)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,wD:28.35,1.0,(-1.49,-4.78,;-.72,-3.44,;.82,-3.44,;1.59,-2.11,;3.13,-2.11,;3.9,-3.44,;5.44,-3.44,;6.21,-2.11,;5.44,-.78,;6.21,.56,;5.44,1.89,;3.9,1.89,;3.13,.56,;3.9,-.78,;7.75,.56,;8.52,1.89,;-1.49,-2.11,;-3.03,-2.11,;-3.93,-3.36,;-5.4,-2.88,;-6.73,-3.65,;-8.06,-2.88,;-8.06,-1.34,;-6.73,-.57,;-5.4,-1.34,;-3.93,-.86,;-2.44,-.47,;-2.05,1.02,;-3.13,2.11,;-4.62,1.71,;-5.02,.22,;-3.9,3.44,;-5.44,3.44,;-6.21,4.78,;-7.75,4.78,;-8.52,3.44,;-7.75,2.11,;-8.52,.78,;-6.21,2.11,;-1.65,2.51,;-.56,1.42,;-1.25,4,)|
C[C@@H](COc1ccnc2CCC[C@H](F)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,12.12,wD:27.34,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](F)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,wD:27.34,1.0,12.12,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
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C[C@@H](COc1ccnc2[C@@H](F)CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,wD:28.35,1.0,13.13,9.9,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@H](F)CC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,9.9,wD:28.35,1.0,13.13,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2[C@@H](F)CC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,17.18,13.13,wD:28.35,1.0,9.9,(-1.1,-4.78,;-.33,-3.44,;1.21,-3.44,;1.98,-2.11,;3.52,-2.11,;4.29,-3.44,;5.83,-3.44,;6.6,-2.11,;5.83,-.78,;6.6,.56,;8.14,.56,;5.83,1.89,;4.29,1.89,;3.52,.56,;1.98,.56,;4.29,-.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,)|
C[C@@H](COc1ccnc2CCCC(OC(F)F)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.29,19.20,30.46,wD:30.37,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;1.9,-.75,;1.13,-2.09,;.36,-.75,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.64,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2c1[C@H](C)CCC2(F)F)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,18.19,29.45,wD:29.36,1.0,10.11,(-1.08,-4.75,;-.31,-3.42,;1.23,-3.42,;2,-2.09,;3.54,-2.09,;4.31,-3.42,;5.85,-3.42,;6.62,-2.09,;5.85,-.75,;4.31,-.75,;3.54,.58,;2,.58,;4.31,1.91,;5.85,1.91,;6.62,.58,;7.96,1.35,;7.96,-.19,;-1.08,-2.09,;-2.62,-2.09,;-3.52,-3.33,;-4.98,-2.86,;-6.32,-3.63,;-7.65,-2.86,;-7.65,-1.32,;-6.32,-.55,;-4.98,-1.32,;-3.52,-.84,;-2.01,-.52,;-1.54,.94,;-2.57,2.09,;-4.07,1.77,;-4.55,.3,;-3.34,3.42,;-4.88,3.42,;-5.65,4.75,;-7.19,4.75,;-7.96,3.42,;-7.19,2.09,;-7.96,.75,;-5.65,2.09,;-1.06,2.41,;-.03,1.26,;-.59,3.87,)|
C[C@@H](COc1ccnc2CCCC(F)(F)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,17.18,28.44,wD:1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.88,1.35,;2.88,-.19,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.63,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2CCC[C@H](CC(F)(F)F)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.30,31.47,20.21,12.12,wD:31.38,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;1.98,-.78,;1.21,-2.11,;.44,-.78,;.89,.31,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
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CC[C@@H]1CC[C@H](F)c2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:25.25,28.42,17.16,wD:28.33,14.14,2.1,5.5,(1.21,-.78,;1.98,.56,;3.52,.56,;4.29,1.89,;5.83,1.89,;6.6,.56,;8.14,.56,;5.83,-.78,;6.6,-2.11,;5.83,-3.44,;4.29,-3.44,;3.52,-2.11,;1.98,-2.11,;1.21,-3.44,;-.33,-3.44,;-1.1,-4.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.63,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,;4.29,-.78,)|
CC[C@@H]1CC[C@@H](F)c2nccc(OC[C@H](C)C[C@H]3Cc4ccccc4[C@@]33CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c12 |r,wU:25.25,28.42,17.16,5.5,wD:28.33,14.14,2.1,(1.21,-.78,;1.98,.56,;3.52,.56,;4.29,1.89,;5.83,1.89,;6.6,.56,;8.14,.56,;5.83,-.78,;6.6,-2.11,;5.83,-3.44,;4.29,-3.44,;3.52,-2.11,;1.98,-2.11,;1.21,-3.44,;-.33,-3.44,;-1.1,-4.78,;-1.1,-2.11,;-2.64,-2.11,;-3.55,-3.36,;-5.01,-2.88,;-6.34,-3.65,;-7.68,-2.88,;-7.68,-1.34,;-6.34,-.57,;-5.01,-1.34,;-3.55,-.86,;-2.06,-.47,;-1.66,1.02,;-2.75,2.11,;-4.24,1.71,;-4.64,.22,;-3.52,3.44,;-5.06,3.44,;-5.83,4.78,;-7.37,4.78,;-8.14,3.44,;-7.37,2.11,;-8.14,.78,;-5.83,2.11,;-1.26,2.51,;-.17,1.42,;-.86,4,;4.29,-.78,)|
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C[C@@H](COc1ccnc2CCC(F)(F)[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:18.19,26.28,29.45,wD:14.14,29.36,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.98,3.45,;3.65,2.68,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
C[C@@H](COc1ccnc2CCC(F)(F)[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:14.14,18.19,26.28,29.45,wD:29.36,1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.98,3.45,;3.65,2.68,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.41,2.49,;.67,1.4,;-.02,3.97,)|
COc1ccc(COC[C@H](C)CC2=Cc3ccccc3C22CCC3(CC2)OCCO3)cc1 |r,t:12|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccc(F)c(Cl)c1)C(O)=O |r,wU:24.26,27.44,wD:16.17,1.0,12.12,27.34,(.36,-4.75,;1.13,-3.42,;2.67,-3.42,;3.44,-2.09,;4.98,-2.09,;5.75,-3.42,;7.29,-3.42,;8.06,-2.09,;7.29,-.75,;8.06,.58,;7.29,1.91,;5.75,1.91,;4.98,.58,;3.44,.58,;5.75,-.75,;.36,-2.09,;-1.18,-2.09,;-2.08,-3.33,;-3.55,-2.86,;-4.88,-3.63,;-6.22,-2.86,;-6.22,-1.32,;-4.88,-.55,;-3.55,-1.32,;-2.08,-.84,;-.58,-.52,;-.1,.94,;-1.13,2.09,;-2.64,1.77,;-3.11,.3,;-1.9,3.42,;-3.44,3.42,;-4.21,4.75,;-5.75,4.75,;-6.52,3.42,;-8.06,3.42,;-5.75,2.09,;-6.52,.75,;-4.21,2.09,;.37,2.41,;1.41,1.26,;.85,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2C11CCC(CC1)(Nc1cc(F)cc(Cl)c1)C#N |r,wU:16.17,wD:1.0,12.12,(-.41,-5.42,;.36,-4.09,;1.9,-4.09,;2.67,-2.75,;4.21,-2.75,;4.98,-4.09,;6.52,-4.09,;7.29,-2.75,;6.52,-1.42,;7.29,-.09,;6.52,1.25,;4.98,1.25,;4.21,-.09,;2.67,-.09,;4.98,-1.42,;-.41,-2.75,;-1.95,-2.75,;-2.85,-4,;-4.32,-3.52,;-5.65,-4.29,;-6.99,-3.52,;-6.99,-1.98,;-5.65,-1.21,;-4.32,-1.98,;-2.85,-1.51,;-1.35,-1.19,;-.87,.28,;-1.9,1.42,;-3.41,1.1,;-3.88,-.36,;-2.67,2.75,;-4.21,2.75,;-4.98,4.09,;-6.52,4.09,;-7.29,5.42,;-7.29,2.75,;-6.52,1.42,;-7.29,.09,;-4.98,1.42,;-.4,1.74,;1.11,2.06,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cc(Cl)ccc1F)C(O)=O |r,wU:24.26,16.17,27.44,wD:1.0,12.12,27.34,(-.41,-5.42,;.36,-4.09,;1.9,-4.09,;2.67,-2.75,;4.21,-2.75,;4.98,-4.09,;6.52,-4.09,;7.29,-2.75,;6.52,-1.42,;7.29,-.09,;6.52,1.25,;4.98,1.25,;4.21,-.09,;2.67,-.09,;4.98,-1.42,;-.41,-2.75,;-1.95,-2.75,;-2.85,-4,;-4.32,-3.52,;-5.65,-4.29,;-6.99,-3.52,;-6.99,-1.98,;-5.65,-1.21,;-4.32,-1.98,;-2.85,-1.51,;-1.35,-1.19,;-.87,.28,;-1.9,1.42,;-3.41,1.1,;-3.88,-.36,;-2.67,2.75,;-4.21,2.75,;-4.98,1.42,;-6.52,1.42,;-7.29,.09,;-7.29,2.75,;-6.52,4.09,;-4.98,4.09,;-4.21,5.42,;-.4,1.74,;.64,.6,;.08,3.21,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1F)C(O)=O |r,wU:24.26,16.17,27.44,wD:1.0,12.12,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-4.21,.75,;-.4,2.41,;.63,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccc(F)c(Cl)c1F)C(O)=O |r,wU:24.26,16.17,27.45,wD:1.0,27.34,12.12,(.36,-4.75,;1.13,-3.42,;2.67,-3.42,;3.44,-2.09,;4.98,-2.09,;5.75,-3.42,;7.29,-3.42,;8.06,-2.09,;7.29,-.75,;8.06,.58,;7.29,1.91,;5.75,1.91,;4.98,.58,;3.44,.58,;5.75,-.75,;.36,-2.09,;-1.18,-2.09,;-2.08,-3.33,;-3.55,-2.86,;-4.88,-3.63,;-6.22,-2.86,;-6.22,-1.32,;-4.88,-.55,;-3.55,-1.32,;-2.08,-.84,;-.58,-.52,;-.1,.94,;-1.13,2.09,;-2.64,1.77,;-3.11,.3,;-1.9,3.42,;-3.44,3.42,;-4.21,4.75,;-5.75,4.75,;-6.52,3.42,;-8.06,3.42,;-5.75,2.09,;-6.52,.75,;-4.21,2.09,;-3.44,.75,;.37,2.41,;1.41,1.26,;.85,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1C)C(O)=O |r,wU:24.26,16.17,27.44,wD:1.0,27.34,12.12,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-4.21,.75,;-.4,2.41,;.64,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccc(C)c(Cl)c1)C(O)=O |r,wU:24.26,16.17,27.44,wD:1.0,27.34,12.12,(.36,-4.75,;1.13,-3.42,;2.67,-3.42,;3.44,-2.09,;4.98,-2.09,;5.75,-3.42,;7.29,-3.42,;8.06,-2.09,;7.29,-.75,;8.06,.58,;7.29,1.91,;5.75,1.91,;4.98,.58,;3.44,.58,;5.75,-.75,;.36,-2.09,;-1.18,-2.09,;-2.08,-3.33,;-3.55,-2.86,;-4.88,-3.63,;-6.22,-2.86,;-6.22,-1.32,;-4.88,-.55,;-3.55,-1.32,;-2.08,-.84,;-.58,-.52,;-.1,.94,;-1.13,2.09,;-2.64,1.77,;-3.11,.3,;-1.9,3.42,;-3.44,3.42,;-4.21,4.75,;-5.75,4.75,;-6.52,3.42,;-8.06,3.42,;-5.75,2.09,;-6.52,.75,;-4.21,2.09,;.37,2.41,;1.41,1.26,;.85,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cc(C)cc(Cl)c1)C(O)=O |r,wU:24.26,16.17,27.44,wD:1.0,27.34,12.12,(-.41,-5.42,;.36,-4.09,;1.9,-4.09,;2.67,-2.75,;4.21,-2.75,;4.98,-4.09,;6.52,-4.09,;7.29,-2.75,;6.52,-1.42,;7.29,-.09,;6.52,1.25,;4.98,1.25,;4.21,-.09,;2.67,-.09,;4.98,-1.42,;-.41,-2.75,;-1.95,-2.75,;-2.85,-4,;-4.32,-3.52,;-5.65,-4.29,;-6.99,-3.52,;-6.99,-1.98,;-5.65,-1.21,;-4.32,-1.98,;-2.85,-1.51,;-1.35,-1.19,;-.87,.28,;-1.9,1.42,;-3.41,1.1,;-3.88,-.36,;-2.67,2.75,;-4.21,2.75,;-4.98,4.09,;-6.52,4.09,;-7.29,5.42,;-7.29,2.75,;-6.52,1.42,;-7.29,.09,;-4.98,1.42,;-.4,1.74,;.64,.6,;.08,3.21,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(Br)c1)C(O)=O |r,wU:24.26,16.17,27.43,wD:1.0,27.34,12.12,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.64,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccc(F)c(Br)c1)C(O)=O |r,wU:24.26,16.17,27.44,wD:1.0,27.34,12.12,(.36,-4.75,;1.13,-3.42,;2.67,-3.42,;3.44,-2.09,;4.98,-2.09,;5.75,-3.42,;7.29,-3.42,;8.06,-2.09,;7.29,-.75,;8.06,.58,;7.29,1.91,;5.75,1.91,;4.98,.58,;3.44,.58,;5.75,-.75,;.36,-2.09,;-1.18,-2.09,;-2.08,-3.33,;-3.55,-2.86,;-4.88,-3.63,;-6.22,-2.86,;-6.22,-1.32,;-4.88,-.55,;-3.55,-1.32,;-2.08,-.84,;-.58,-.52,;-.1,.94,;-1.13,2.09,;-2.64,1.77,;-3.11,.3,;-1.9,3.42,;-3.44,3.42,;-4.21,4.75,;-5.75,4.75,;-6.52,3.42,;-8.06,3.42,;-5.75,2.09,;-6.52,.75,;-4.21,2.09,;.37,2.41,;1.41,1.26,;.85,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(N1CCc2c1cccc2Cl)C(O)=O |r,wU:24.26,16.17,wD:1.0,27.34,12.12,(-.49,-5.91,;.28,-4.58,;1.82,-4.58,;2.59,-3.25,;4.13,-3.25,;4.9,-4.58,;6.44,-4.58,;7.21,-3.25,;6.44,-1.91,;7.21,-.58,;6.44,.76,;4.9,.76,;4.13,-.58,;2.59,-.58,;4.9,-1.91,;-.49,-3.25,;-2.03,-3.25,;-2.93,-4.49,;-4.4,-4.02,;-5.73,-4.79,;-7.07,-4.02,;-7.07,-2.48,;-5.73,-1.71,;-4.4,-2.48,;-2.93,-2,;-1.43,-1.68,;-.95,-.21,;-1.98,.93,;-3.49,.61,;-3.96,-.86,;-2.75,2.26,;-2.13,3.67,;-3.27,4.7,;-4.6,3.93,;-4.28,2.42,;-5.43,1.39,;-6.89,1.87,;-7.21,3.38,;-6.07,4.41,;-6.39,5.91,;-.47,1.25,;.56,.11,;0,2.71,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccnc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,wD:1.0,12.12,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1ccc(Cl)c(Cl)c1)C(O)=O |r,wU:24.26,27.44,16.17,wD:27.34,1.0,12.12,(.44,-4.78,;1.21,-3.44,;2.75,-3.44,;3.52,-2.11,;5.06,-2.11,;5.83,-3.44,;7.37,-3.44,;8.14,-2.11,;7.37,-.78,;8.14,.56,;7.37,1.89,;5.83,1.89,;5.06,.56,;3.52,.56,;5.83,-.78,;.44,-2.11,;-1.1,-2.11,;-2.01,-3.36,;-3.47,-2.88,;-4.8,-3.65,;-6.14,-2.88,;-6.14,-1.34,;-4.8,-.57,;-3.47,-1.34,;-2.01,-.86,;-.52,-.47,;-.12,1.02,;-1.21,2.11,;-2.7,1.71,;-3.1,.22,;-1.98,3.44,;-3.52,3.44,;-4.29,4.78,;-5.83,4.78,;-6.6,3.44,;-8.14,3.44,;-5.83,2.11,;-6.6,.78,;-4.29,2.11,;.28,2.51,;1.37,1.42,;.68,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Nc1cccc(c1)C#N)C(O)=O |r,wU:24.26,27.44,16.17,wD:27.34,1.0,12.12,(.05,-4.78,;.82,-3.44,;2.36,-3.44,;3.13,-2.11,;4.67,-2.11,;5.44,-3.44,;6.98,-3.44,;7.75,-2.11,;6.98,-.78,;7.75,.56,;6.98,1.89,;5.44,1.89,;4.67,.56,;3.13,.56,;5.44,-.78,;.05,-2.11,;-1.49,-2.11,;-2.39,-3.36,;-3.86,-2.88,;-5.19,-3.65,;-6.52,-2.88,;-6.52,-1.34,;-5.19,-.57,;-3.86,-1.34,;-2.39,-.86,;-.9,-.47,;-.51,1.02,;-1.59,2.11,;-3.08,1.71,;-3.48,.22,;-2.36,3.44,;-3.9,3.44,;-4.67,4.78,;-6.21,4.78,;-6.98,3.44,;-6.21,2.11,;-4.67,2.11,;-6.98,.78,;-7.75,-.56,;-.11,2.51,;.98,1.42,;.29,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@](CC1)(Oc1cccc(Cl)c1)C(O)=O |r,wU:24.26,27.43,16.17,wD:1.0,12.12,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-3.47,1.71,;-3.86,.22,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-.49,2.51,;.6,1.42,;-.09,4,)|
C[C@@H](COc1ccnc2CCC[C@H](C)c12)C[C@H]1Cc2ccccc2[C@@]11CC[C@@](Cc2cccc(Cl)c2)(CC1)C(O)=O |r,wU:24.26,27.43,16.17,12.12,wD:27.31,1.0,(-.33,-4.78,;.44,-3.44,;1.98,-3.44,;2.75,-2.11,;4.29,-2.11,;5.06,-3.44,;6.6,-3.44,;7.37,-2.11,;6.6,-.78,;7.37,.56,;6.6,1.89,;5.06,1.89,;4.29,.56,;2.75,.56,;5.06,-.78,;-.33,-2.11,;-1.87,-2.11,;-2.78,-3.36,;-4.24,-2.88,;-5.57,-3.65,;-6.91,-2.88,;-6.91,-1.34,;-5.57,-.57,;-4.24,-1.34,;-2.78,-.86,;-1.29,-.47,;-.89,1.02,;-1.98,2.11,;-2.75,3.44,;-4.29,3.44,;-5.06,4.78,;-6.6,4.78,;-7.37,3.44,;-6.6,2.11,;-7.37,.78,;-5.06,2.11,;-3.47,1.71,;-3.87,.22,;-.49,2.51,;.6,1.42,;-.09,4,)|
COC(=O)[C@]1(CC[C@@]2(CC1)[C@H](C[C@@H](C)COc1ccnc3ccsc13)Cc1ccc(cc21)C(C)O)Nc1cccc(Cl)c1 |r,wU:7.34,4.3,wD:4.39,10.11,12.13,(3.19,1.82,;1.7,1.42,;.61,2.51,;1.01,4,;-.88,2.11,;.21,1.02,;-.19,-.47,;-1.67,-.86,;-2.76,.22,;-2.36,1.71,;-.77,-2.11,;.77,-2.11,;1.54,-3.44,;.77,-4.78,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.18,.69,;6.93,1.59,;5.69,.69,;6.16,-.78,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,)|
C[C@@H](COc1ccnc2ccsc12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)O |r,wU:22.24,25.41,14.15,wD:25.32,1.0,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.18,.69,;6.93,1.59,;5.69,.69,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
COCCOc1ccc2C[C@@H](C[C@@H](C)COc3ccnc4ccsc34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:25.45,28.42,wD:28.33,10.10,12.12,(-9.81,-2.88,;-9.81,-1.34,;-8.47,-.57,;-7.14,-1.34,;-5.8,-.57,;-4.47,-1.34,;-4.47,-2.88,;-3.14,-3.65,;-1.8,-2.88,;-.34,-3.36,;.57,-2.11,;2.11,-2.11,;2.88,-3.44,;2.11,-4.78,;4.42,-3.44,;5.19,-2.11,;6.73,-2.11,;7.5,-3.44,;9.04,-3.44,;9.81,-2.11,;9.04,-.78,;9.51,.69,;8.27,1.59,;7.02,.69,;7.5,-.78,;-.34,-.86,;1.15,-.47,;1.55,1.02,;.46,2.11,;-1.03,1.71,;-1.43,.22,;-.31,3.44,;-1.85,3.44,;-2.62,4.78,;-4.16,4.78,;-4.93,3.44,;-4.16,2.11,;-4.93,.78,;-2.62,2.11,;1.95,2.51,;3.03,1.42,;2.34,4,;-1.8,-1.34,;-3.14,-.57,)|
COCCOc1ccc2C[C@H](C[C@@H](C)COc3ccnc4ccsc34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:25.45,28.42,10.10,wD:28.33,12.12,(-9.81,-2.88,;-9.81,-1.34,;-8.47,-.57,;-7.14,-1.34,;-5.8,-.57,;-4.47,-1.34,;-4.47,-2.88,;-3.14,-3.65,;-1.8,-2.88,;-.34,-3.36,;.57,-2.11,;2.11,-2.11,;2.88,-3.44,;2.11,-4.78,;4.42,-3.44,;5.19,-2.11,;6.73,-2.11,;7.5,-3.44,;9.04,-3.44,;9.81,-2.11,;9.04,-.78,;9.51,.69,;8.27,1.59,;7.02,.69,;7.5,-.78,;-.34,-.86,;1.15,-.47,;1.55,1.02,;.46,2.11,;-1.03,1.71,;-1.43,.22,;-.31,3.44,;-1.85,3.44,;-2.62,4.78,;-4.16,4.78,;-4.93,3.44,;-4.16,2.11,;-4.93,.78,;-2.62,2.11,;1.95,2.51,;3.03,1.42,;2.34,4,;-1.8,-1.34,;-3.14,-.57,)|
C[C@@H](COc1ccnc2ccsc12)C[C@H]1Cc2cc(C)c(C)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,14.15,wD:27.34,1.0,(.11,-4.76,;.88,-3.42,;2.42,-3.42,;3.19,-2.09,;4.73,-2.09,;5.5,-3.42,;7.04,-3.42,;7.81,-2.09,;7.04,-.76,;7.51,.71,;6.27,1.61,;5.02,.71,;5.5,-.76,;.11,-2.09,;-1.43,-2.07,;-2.34,-3.31,;-3.8,-2.84,;-5.14,-3.61,;-6.47,-2.84,;-7.81,-3.61,;-6.47,-1.3,;-7.81,-.53,;-5.14,-.53,;-3.8,-1.3,;-2.34,-.82,;-.82,-.55,;-.3,.9,;-1.3,2.08,;-2.81,1.81,;-3.33,.36,;-2.04,3.42,;-3.58,3.42,;-4.35,4.76,;-5.89,4.76,;-6.66,3.42,;-5.89,2.09,;-6.56,.7,;-4.35,2.09,;.2,2.44,;1.29,1.35,;.64,3.92,)|
C[C@@H](COc1ccnc2ccsc12)C[C@@H]1Cc2cc(C)c(C)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:27.43,24.26,wD:27.34,14.15,1.0,(.11,-4.76,;.88,-3.42,;2.42,-3.42,;3.19,-2.09,;4.73,-2.09,;5.5,-3.42,;7.04,-3.42,;7.81,-2.09,;7.04,-.76,;7.51,.71,;6.27,1.61,;5.02,.71,;5.5,-.76,;.11,-2.09,;-1.43,-2.07,;-2.34,-3.31,;-3.8,-2.84,;-5.14,-3.61,;-6.47,-2.84,;-7.81,-3.61,;-6.47,-1.3,;-7.81,-.53,;-5.14,-.53,;-3.8,-1.3,;-2.34,-.82,;-.82,-.55,;-.3,.9,;-1.3,2.08,;-2.81,1.81,;-3.33,.36,;-2.04,3.42,;-3.58,3.42,;-4.35,4.76,;-5.89,4.76,;-6.66,3.42,;-5.89,2.09,;-6.56,.7,;-4.35,2.09,;.2,2.44,;1.29,1.35,;.64,3.92,)|
C[C@@H](COc1ccnc2ccsc12)C[C@H]1Cc2ccc(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,23.25,14.15,wD:26.33,1.0,(.11,-4.75,;.88,-3.41,;2.42,-3.41,;3.19,-2.08,;4.73,-2.08,;5.5,-3.41,;7.04,-3.41,;7.81,-2.08,;7.04,-.74,;7.51,.72,;6.27,1.62,;5.02,.72,;5.5,-.74,;.11,-2.08,;-1.43,-2.08,;-2.34,-3.32,;-3.8,-2.85,;-5.14,-3.62,;-6.47,-2.85,;-6.47,-1.31,;-7.81,-.54,;-5.14,-.54,;-3.8,-1.31,;-2.34,-.83,;-.82,-.56,;-.3,.89,;-1.3,2.06,;-2.81,1.79,;-3.33,.34,;-2.04,3.41,;-3.58,3.41,;-4.35,4.75,;-5.89,4.75,;-6.66,3.41,;-5.89,2.08,;-6.56,.69,;-4.35,2.08,;.2,2.43,;1.29,1.34,;.64,3.9,)|
C[C@@H](COc1ccnc2ccsc12)C[C@@H]1Cc2ccc(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.42,23.25,wD:26.33,14.15,1.0,(.11,-4.75,;.88,-3.41,;2.42,-3.41,;3.19,-2.08,;4.73,-2.08,;5.5,-3.41,;7.04,-3.41,;7.81,-2.08,;7.04,-.74,;7.51,.72,;6.27,1.62,;5.02,.72,;5.5,-.74,;.11,-2.08,;-1.43,-2.08,;-2.34,-3.32,;-3.8,-2.85,;-5.14,-3.62,;-6.47,-2.85,;-6.47,-1.31,;-7.81,-.54,;-5.14,-.54,;-3.8,-1.31,;-2.34,-.83,;-.82,-.56,;-.3,.89,;-1.3,2.06,;-2.81,1.79,;-3.33,.34,;-2.04,3.41,;-3.58,3.41,;-4.35,4.75,;-5.89,4.75,;-6.66,3.41,;-5.89,2.08,;-6.56,.69,;-4.35,2.08,;.2,2.43,;1.29,1.34,;.64,3.9,)|
C[C@@H](COc1ccnc2ccsc12)C[C@H]1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,14.15,wD:26.33,1.0,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.51,.69,;6.27,1.59,;5.02,.69,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2ccsc12)C[C@@H]1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:23.25,26.42,wD:26.33,14.15,1.0,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.51,.69,;6.27,1.59,;5.02,.69,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2c(cccc2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,wD:1.0,12.12,t:18,(-.33,-4.57,;.44,-3.24,;1.98,-3.24,;2.75,-1.9,;4.29,-1.9,;5.06,-3.24,;6.6,-3.24,;7.37,-1.9,;6.6,-.57,;7.37,.76,;6.6,2.1,;5.06,2.1,;4.29,.76,;2.75,.76,;5.06,-.57,;-.33,-1.9,;-1.87,-1.9,;-2.78,-3.15,;-4.24,-2.67,;-4.24,-1.13,;-5.57,-.36,;-6.91,-1.13,;-6.91,-2.67,;-5.57,-3.44,;-5.57,-4.98,;-2.78,-.66,;-1.29,-.26,;-.89,1.23,;-1.98,2.32,;-3.47,1.92,;-3.86,.43,;-2.75,3.65,;-4.29,3.65,;-5.06,4.98,;-6.6,4.98,;-7.37,3.65,;-6.6,2.32,;-7.37,.98,;-5.06,2.32,;-.49,2.72,;.6,1.63,;-.09,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(cccc2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,16.17,wD:28.35,1.0,12.12,(-.33,-4.57,;.44,-3.24,;1.98,-3.24,;2.75,-1.9,;4.29,-1.9,;5.06,-3.24,;6.6,-3.24,;7.37,-1.9,;6.6,-.57,;7.37,.76,;6.6,2.1,;5.06,2.1,;4.29,.76,;2.75,.76,;5.06,-.57,;-.33,-1.9,;-1.87,-1.9,;-2.78,-3.15,;-4.24,-2.67,;-4.24,-1.13,;-5.57,-.36,;-6.91,-1.13,;-6.91,-2.67,;-5.57,-3.44,;-5.57,-4.98,;-2.78,-.66,;-1.29,-.26,;-.89,1.23,;-1.98,2.32,;-3.47,1.92,;-3.87,.43,;-2.75,3.65,;-4.29,3.65,;-5.06,4.98,;-6.6,4.98,;-7.37,3.65,;-6.6,2.32,;-7.37,.98,;-5.06,2.32,;-.49,2.72,;.6,1.63,;-.09,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2c(cccc2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,wD:28.35,16.17,1.0,12.12,(-.33,-4.57,;.44,-3.24,;1.98,-3.24,;2.75,-1.9,;4.29,-1.9,;5.06,-3.24,;6.6,-3.24,;7.37,-1.9,;6.6,-.57,;7.37,.76,;6.6,2.1,;5.06,2.1,;4.29,.76,;2.75,.76,;5.06,-.57,;-.33,-1.9,;-1.87,-1.9,;-2.78,-3.15,;-4.24,-2.67,;-4.24,-1.13,;-5.57,-.36,;-6.91,-1.13,;-6.91,-2.67,;-5.57,-3.44,;-5.57,-4.98,;-2.78,-.66,;-1.29,-.26,;-.89,1.23,;-1.98,2.32,;-3.47,1.92,;-3.87,.43,;-2.75,3.65,;-4.29,3.65,;-5.06,4.98,;-6.6,4.98,;-7.37,3.65,;-6.6,2.32,;-7.37,.98,;-5.06,2.32,;-.49,2.72,;.6,1.63,;-.09,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(cccc2F)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,16.17,28.44,wD:28.35,1.0,12.12,(-.41,-4.55,;.36,-3.21,;1.9,-3.21,;2.67,-1.88,;4.21,-1.88,;4.98,-3.21,;6.52,-3.21,;7.29,-1.88,;6.52,-.55,;7.29,.79,;6.52,2.12,;4.98,2.12,;4.21,.79,;2.67,.79,;4.98,-.55,;-.41,-1.88,;-1.95,-1.88,;-2.85,-3.13,;-4.32,-2.65,;-4.32,-1.11,;-5.65,-.34,;-6.99,-1.11,;-6.99,-2.65,;-5.65,-3.42,;-5.65,-4.96,;-2.85,-.64,;-1.35,-.32,;-.87,1.15,;-1.9,2.29,;-3.41,1.97,;-3.88,.51,;-2.67,3.63,;-4.21,3.63,;-4.98,4.96,;-6.52,4.96,;-7.29,3.63,;-6.52,2.29,;-7.29,.96,;-4.98,2.29,;-.41,2.69,;.67,1.6,;-.02,4.18,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2c(cccc2F)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,wD:16.17,28.35,1.0,12.12,(-.41,-4.55,;.36,-3.21,;1.9,-3.21,;2.67,-1.88,;4.21,-1.88,;4.98,-3.21,;6.52,-3.21,;7.29,-1.88,;6.52,-.55,;7.29,.79,;6.52,2.12,;4.98,2.12,;4.21,.79,;2.67,.79,;4.98,-.55,;-.41,-1.88,;-1.95,-1.88,;-2.85,-3.13,;-4.32,-2.65,;-4.32,-1.11,;-5.65,-.34,;-6.99,-1.11,;-6.99,-2.65,;-5.65,-3.42,;-5.65,-4.96,;-2.85,-.64,;-1.35,-.32,;-.87,1.15,;-1.9,2.29,;-3.41,1.97,;-3.88,.51,;-2.67,3.63,;-4.21,3.63,;-4.98,4.96,;-6.52,4.96,;-7.29,3.63,;-6.52,2.29,;-7.29,.96,;-4.98,2.29,;-.41,2.69,;.67,1.6,;-.02,4.18,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2c(ccc(F)c2F)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,wD:26.29,29.36,1.0,12.12,t:18,(.11,-4.57,;.88,-3.24,;2.42,-3.24,;3.19,-1.9,;4.73,-1.9,;5.5,-3.24,;7.04,-3.24,;7.81,-1.9,;7.04,-.57,;7.81,.76,;7.04,2.1,;5.5,2.1,;4.73,.76,;3.19,.76,;5.5,-.57,;.11,-1.9,;-1.43,-1.9,;-2.34,-3.15,;-3.8,-2.67,;-3.8,-1.13,;-5.14,-.36,;-6.47,-1.13,;-6.47,-2.67,;-7.81,-3.44,;-5.14,-3.44,;-5.14,-4.98,;-2.34,-.66,;-.85,-.26,;-.45,1.23,;-1.54,2.32,;-3.03,1.92,;-3.43,.43,;-2.31,3.65,;-3.85,3.65,;-4.62,4.98,;-6.16,4.98,;-6.93,3.65,;-6.16,2.32,;-6.93,.98,;-4.62,2.32,;-.06,2.72,;1.03,1.63,;.34,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2c(ccc(F)c2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,wD:26.29,29.36,1.0,12.12,t:18,(.11,-4.57,;.88,-3.24,;2.42,-3.24,;3.19,-1.9,;4.73,-1.9,;5.5,-3.24,;7.04,-3.24,;7.81,-1.9,;7.04,-.57,;7.81,.76,;7.04,2.1,;5.5,2.1,;4.73,.76,;3.19,.76,;5.5,-.57,;.11,-1.9,;-1.43,-1.9,;-2.34,-3.15,;-3.8,-2.67,;-3.8,-1.13,;-5.14,-.36,;-6.47,-1.13,;-6.47,-2.67,;-7.81,-3.44,;-5.14,-3.44,;-5.14,-4.98,;-2.34,-.66,;-.85,-.26,;-.45,1.23,;-1.54,2.32,;-3.03,1.92,;-3.43,.43,;-2.31,3.65,;-3.85,3.65,;-4.62,4.98,;-6.16,4.98,;-6.93,3.65,;-6.16,2.32,;-6.93,.98,;-4.62,2.32,;-.06,2.72,;1.03,1.63,;.34,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(ccc(F)c2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,16.17,wD:29.36,1.0,12.12,(.11,-4.57,;.88,-3.24,;2.42,-3.24,;3.19,-1.9,;4.73,-1.9,;5.5,-3.24,;7.04,-3.24,;7.81,-1.9,;7.04,-.57,;7.81,.76,;7.04,2.1,;5.5,2.1,;4.73,.76,;3.19,.76,;5.5,-.57,;.11,-1.9,;-1.43,-1.9,;-2.34,-3.15,;-3.8,-2.67,;-3.8,-1.13,;-5.14,-.36,;-6.47,-1.13,;-6.47,-2.67,;-7.81,-3.44,;-5.14,-3.44,;-5.14,-4.98,;-2.34,-.66,;-.85,-.26,;-.45,1.23,;-1.54,2.32,;-3.03,1.92,;-3.43,.43,;-2.31,3.65,;-3.85,3.65,;-4.62,4.98,;-6.16,4.98,;-6.93,3.65,;-6.16,2.32,;-6.93,.98,;-4.62,2.32,;-.06,2.72,;1.03,1.63,;.34,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2c(ccc(F)c2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,wD:29.36,16.17,1.0,12.12,(.11,-4.57,;.88,-3.24,;2.42,-3.24,;3.19,-1.9,;4.73,-1.9,;5.5,-3.24,;7.04,-3.24,;7.81,-1.9,;7.04,-.57,;7.81,.76,;7.04,2.1,;5.5,2.1,;4.73,.76,;3.19,.76,;5.5,-.57,;.11,-1.9,;-1.43,-1.9,;-2.34,-3.15,;-3.8,-2.67,;-3.8,-1.13,;-5.14,-.36,;-6.47,-1.13,;-6.47,-2.67,;-7.81,-3.44,;-5.14,-3.44,;-5.14,-4.98,;-2.34,-.66,;-.85,-.26,;-.45,1.23,;-1.54,2.32,;-3.03,1.92,;-3.43,.43,;-2.31,3.65,;-3.85,3.65,;-4.62,4.98,;-6.16,4.98,;-6.93,3.65,;-6.16,2.32,;-6.93,.98,;-4.62,2.32,;-.06,2.72,;1.03,1.63,;.34,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(ccc(Cl)c2F)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,16.17,29.45,wD:29.36,1.0,12.12,(.11,-4.57,;.88,-3.24,;2.42,-3.24,;3.19,-1.9,;4.73,-1.9,;5.5,-3.24,;7.04,-3.24,;7.81,-1.9,;7.04,-.57,;7.81,.76,;7.04,2.1,;5.5,2.1,;4.73,.76,;3.19,.76,;5.5,-.57,;.11,-1.9,;-1.43,-1.9,;-2.34,-3.15,;-3.8,-2.67,;-3.8,-1.13,;-5.14,-.36,;-6.47,-1.13,;-6.47,-2.67,;-7.81,-3.44,;-5.14,-3.44,;-5.14,-4.98,;-2.34,-.66,;-.85,-.26,;-.45,1.23,;-1.54,2.32,;-3.03,1.92,;-3.43,.43,;-2.31,3.65,;-3.85,3.65,;-4.62,4.98,;-6.16,4.98,;-6.93,3.65,;-6.16,2.32,;-6.93,.98,;-4.62,2.32,;-.06,2.72,;1.03,1.63,;.34,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2c(ccc(Cl)c2F)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,wD:16.17,29.36,1.0,12.12,(.11,-4.57,;.88,-3.24,;2.42,-3.24,;3.19,-1.9,;4.73,-1.9,;5.5,-3.24,;7.04,-3.24,;7.81,-1.9,;7.04,-.57,;7.81,.76,;7.04,2.1,;5.5,2.1,;4.73,.76,;3.19,.76,;5.5,-.57,;.11,-1.9,;-1.43,-1.9,;-2.34,-3.15,;-3.8,-2.67,;-3.8,-1.13,;-5.14,-.36,;-6.47,-1.13,;-6.47,-2.67,;-7.81,-3.44,;-5.14,-3.44,;-5.14,-4.98,;-2.34,-.66,;-.85,-.26,;-.45,1.23,;-1.54,2.32,;-3.03,1.92,;-3.43,.43,;-2.31,3.65,;-3.85,3.65,;-4.62,4.98,;-6.16,4.98,;-6.93,3.65,;-6.16,2.32,;-6.93,.98,;-4.62,2.32,;-.06,2.72,;1.03,1.63,;.34,4.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2c(ccc(Cl)c2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,wD:26.29,29.36,1.0,12.12,t:18,(.11,-4.55,;.88,-3.21,;2.42,-3.21,;3.19,-1.88,;4.73,-1.88,;5.5,-3.21,;7.04,-3.21,;7.81,-1.88,;7.04,-.55,;7.81,.79,;7.04,2.12,;5.5,2.12,;4.73,.79,;3.19,.79,;5.5,-.55,;.11,-1.88,;-1.43,-1.88,;-2.34,-3.13,;-3.8,-2.65,;-3.8,-1.11,;-5.14,-.34,;-6.47,-1.11,;-6.47,-2.65,;-7.81,-3.42,;-5.14,-3.42,;-5.14,-4.96,;-2.34,-.64,;-.83,-.32,;-.36,1.15,;-1.39,2.29,;-2.89,1.97,;-3.37,.51,;-2.16,3.63,;-3.7,3.63,;-4.47,4.96,;-6.01,4.96,;-6.78,3.63,;-6.01,2.29,;-6.78,.96,;-4.47,2.29,;.1,2.69,;1.19,1.6,;.5,4.18,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(ccc(Cl)c2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,16.17,29.45,wD:29.36,1.0,12.12,(.11,-4.55,;.88,-3.21,;2.42,-3.21,;3.19,-1.88,;4.73,-1.88,;5.5,-3.21,;7.04,-3.21,;7.81,-1.88,;7.04,-.55,;7.81,.79,;7.04,2.12,;5.5,2.12,;4.73,.79,;3.19,.79,;5.5,-.55,;.11,-1.88,;-1.43,-1.88,;-2.34,-3.13,;-3.8,-2.65,;-3.8,-1.11,;-5.14,-.34,;-6.47,-1.11,;-6.47,-2.65,;-7.81,-3.42,;-5.14,-3.42,;-5.14,-4.96,;-2.34,-.64,;-.83,-.32,;-.36,1.15,;-1.39,2.29,;-2.89,1.97,;-3.37,.51,;-2.16,3.63,;-3.7,3.63,;-4.47,4.96,;-6.01,4.96,;-6.78,3.63,;-6.01,2.29,;-6.78,.96,;-4.47,2.29,;.1,2.69,;1.19,1.6,;.5,4.18,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2c(ccc(Cl)c2Cl)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,wD:29.36,16.17,1.0,12.12,(.11,-4.55,;.88,-3.21,;2.42,-3.21,;3.19,-1.88,;4.73,-1.88,;5.5,-3.21,;7.04,-3.21,;7.81,-1.88,;7.04,-.55,;7.81,.79,;7.04,2.12,;5.5,2.12,;4.73,.79,;3.19,.79,;5.5,-.55,;.11,-1.88,;-1.43,-1.88,;-2.34,-3.13,;-3.8,-2.65,;-3.8,-1.11,;-5.14,-.34,;-6.47,-1.11,;-6.47,-2.65,;-7.81,-3.42,;-5.14,-3.42,;-5.14,-4.96,;-2.34,-.64,;-.83,-.32,;-.36,1.15,;-1.39,2.29,;-2.89,1.97,;-3.37,.51,;-2.16,3.63,;-3.7,3.63,;-4.47,4.96,;-6.01,4.96,;-6.78,3.63,;-6.01,2.29,;-6.78,.96,;-4.47,2.29,;.1,2.69,;1.19,1.6,;.5,4.18,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(cccc2C)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,16.17,28.44,wD:1.0,12.12,28.35,(-.41,-4.55,;.36,-3.21,;1.9,-3.21,;2.67,-1.88,;4.21,-1.88,;4.98,-3.21,;6.52,-3.21,;7.29,-1.88,;6.52,-.55,;7.29,.79,;6.52,2.12,;4.98,2.12,;4.21,.79,;2.67,.79,;4.98,-.55,;-.41,-1.88,;-1.95,-1.88,;-2.85,-3.13,;-4.32,-2.65,;-4.32,-1.11,;-5.65,-.34,;-6.99,-1.11,;-6.99,-2.65,;-5.65,-3.42,;-5.65,-4.96,;-2.85,-.64,;-1.35,-.32,;-.87,1.15,;-1.9,2.29,;-3.41,1.97,;-3.88,.51,;-2.67,3.63,;-4.21,3.63,;-4.98,4.96,;-6.52,4.96,;-7.29,3.63,;-6.52,2.29,;-7.29,.96,;-4.98,2.29,;-.4,2.61,;.64,1.47,;.08,4.08,)|
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C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2c(cc(cc2C)C(C)=O)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:31.47,wD:28.31,31.38,1.0,12.12,t:18,(2.17,-5.88,;2.94,-4.55,;4.48,-4.55,;5.25,-3.21,;6.79,-3.21,;7.56,-4.55,;9.1,-4.55,;9.87,-3.21,;9.1,-1.88,;9.87,-.55,;9.1,.79,;7.56,.79,;6.79,-.55,;5.25,-.55,;7.56,-1.88,;2.17,-3.21,;.63,-3.21,;-.28,-4.46,;-1.74,-3.98,;-1.74,-2.44,;-3.08,-1.67,;-4.41,-2.44,;-4.41,-3.98,;-3.08,-4.75,;-3.08,-6.29,;-5.74,-1.67,;-5.74,-.13,;-7.08,-2.44,;-.28,-1.97,;1.23,-1.65,;1.7,-.18,;.67,.96,;-.83,.64,;-1.31,-.82,;-.1,2.29,;-1.64,2.29,;-2.41,3.63,;-3.95,3.63,;-4.72,2.29,;-3.95,.96,;-4.72,-.37,;-2.41,.96,;2.18,1.28,;3.21,.14,;2.66,2.74,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2c(cc(cc2C)C(C)=O)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.30,31.47,16.17,wD:31.38,1.0,12.12,(.77,-4.55,;1.54,-3.21,;3.08,-3.21,;3.85,-1.88,;5.39,-1.88,;6.16,-3.21,;7.7,-3.21,;8.47,-1.88,;7.7,-.55,;8.47,.79,;7.7,2.12,;6.16,2.12,;5.39,.79,;3.85,.79,;6.16,-.55,;.77,-1.88,;-.77,-1.88,;-1.67,-3.13,;-3.14,-2.65,;-3.14,-1.11,;-4.47,-.34,;-5.8,-1.11,;-5.8,-2.65,;-4.47,-3.42,;-4.47,-4.96,;-7.14,-.34,;-7.14,1.2,;-8.47,-1.11,;-1.67,-.64,;-.17,-.32,;.31,1.15,;-.72,2.29,;-2.23,1.97,;-2.7,.51,;-1.49,3.63,;-3.03,3.63,;-3.8,4.96,;-5.34,4.96,;-6.11,3.63,;-5.34,2.29,;-6.11,.96,;-3.8,2.29,;.79,2.61,;1.82,1.47,;1.26,4.08,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2c(cc(cc2C)C(C)=O)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.30,31.47,wD:31.38,16.17,1.0,12.12,(.77,-4.55,;1.54,-3.21,;3.08,-3.21,;3.85,-1.88,;5.39,-1.88,;6.16,-3.21,;7.7,-3.21,;8.47,-1.88,;7.7,-.55,;8.47,.79,;7.7,2.12,;6.16,2.12,;5.39,.79,;3.85,.79,;6.16,-.55,;.77,-1.88,;-.77,-1.88,;-1.67,-3.13,;-3.14,-2.65,;-3.14,-1.11,;-4.47,-.34,;-5.8,-1.11,;-5.8,-2.65,;-4.47,-3.42,;-4.47,-4.96,;-7.14,-.34,;-7.14,1.2,;-8.47,-1.11,;-1.67,-.64,;-.17,-.32,;.31,1.15,;-.72,2.29,;-2.23,1.97,;-2.7,.51,;-1.49,3.63,;-3.03,3.63,;-3.8,4.96,;-5.34,4.96,;-6.11,3.63,;-5.34,2.29,;-6.11,.96,;-3.8,2.29,;.79,2.61,;1.82,1.47,;1.26,4.08,)|
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C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2c(cc(cc2C)C(C)O)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:31.47,wD:28.31,31.38,1.0,12.12,t:18,(.77,-4.55,;1.54,-3.21,;3.08,-3.21,;3.85,-1.88,;5.39,-1.88,;6.16,-3.21,;7.7,-3.21,;8.47,-1.88,;7.7,-.55,;8.47,.79,;7.7,2.12,;6.16,2.12,;5.39,.79,;3.85,.79,;6.16,-.55,;.77,-1.88,;-.77,-1.88,;-1.67,-3.13,;-3.14,-2.65,;-3.14,-1.11,;-4.47,-.34,;-5.8,-1.11,;-5.8,-2.65,;-4.47,-3.42,;-4.47,-4.96,;-7.14,-.34,;-7.14,1.2,;-8.47,-1.11,;-1.67,-.64,;-.17,-.32,;.31,1.15,;-.72,2.29,;-2.23,1.97,;-2.7,.51,;-1.49,3.63,;-3.03,3.63,;-3.8,4.96,;-5.34,4.96,;-6.11,3.63,;-5.34,2.29,;-6.11,.96,;-3.8,2.29,;.79,2.61,;1.82,1.47,;1.26,4.08,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1Cc2c(cc(cc2C)C(C)O)[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.30,31.47,wD:31.38,1.0,12.12,(.77,-4.55,;1.54,-3.21,;3.08,-3.21,;3.85,-1.88,;5.39,-1.88,;6.16,-3.21,;7.7,-3.21,;8.47,-1.88,;7.7,-.55,;8.47,.79,;7.7,2.12,;6.16,2.12,;5.39,.79,;3.85,.79,;6.16,-.55,;.77,-1.88,;-.77,-1.88,;-1.67,-3.13,;-3.14,-2.65,;-3.14,-1.11,;-4.47,-.34,;-5.8,-1.11,;-5.8,-2.65,;-4.47,-3.42,;-4.47,-4.96,;-7.14,-.34,;-7.14,1.2,;-8.47,-1.11,;-1.67,-.64,;-.17,-.32,;.31,1.15,;-.72,2.29,;-2.23,1.97,;-2.7,.51,;-1.49,3.63,;-3.03,3.63,;-3.8,4.96,;-5.34,4.96,;-6.11,3.63,;-5.34,2.29,;-6.11,.96,;-3.8,2.29,;.79,2.61,;1.82,1.47,;1.26,4.08,)|
C[C@@H](COc1ccnc2CCC[C@H](C)c12)C[C@H]1Cc2cccc(F)c2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,16.17,28.44,12.12,wD:1.0,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-5.65,.99,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.63,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cccc(F)c2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,16.17,28.44,wD:28.35,1.0,12.12,(-.41,-4.75,;.36,-3.42,;1.9,-3.42,;2.67,-2.09,;4.21,-2.09,;4.98,-3.42,;6.52,-3.42,;7.29,-2.09,;6.52,-.75,;7.29,.58,;6.52,1.91,;4.98,1.91,;4.21,.58,;2.67,.58,;4.98,-.75,;-.41,-2.09,;-1.95,-2.09,;-2.85,-3.33,;-4.32,-2.86,;-5.65,-3.63,;-6.99,-2.86,;-6.99,-1.32,;-5.65,-.55,;-5.65,.99,;-4.32,-1.32,;-2.85,-.84,;-1.35,-.52,;-.87,.94,;-1.9,2.09,;-3.41,1.77,;-3.88,.3,;-2.67,3.42,;-4.21,3.42,;-4.98,4.75,;-6.52,4.75,;-7.29,3.42,;-6.52,2.09,;-7.29,.75,;-4.98,2.09,;-.4,2.41,;.64,1.26,;.08,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccc(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,16.17,28.44,wD:28.35,1.0,12.12,(.11,-4.75,;.88,-3.42,;2.42,-3.42,;3.19,-2.09,;4.73,-2.09,;5.5,-3.42,;7.04,-3.42,;7.81,-2.09,;7.04,-.75,;7.81,.58,;7.04,1.91,;5.5,1.91,;4.73,.58,;3.19,.58,;5.5,-.75,;.11,-2.09,;-1.43,-2.09,;-2.34,-3.33,;-3.8,-2.86,;-5.14,-3.63,;-6.47,-2.86,;-6.47,-1.32,;-7.81,-.55,;-5.14,-.55,;-3.8,-1.32,;-2.34,-.84,;-.83,-.52,;-.36,.94,;-1.39,2.09,;-2.89,1.77,;-3.37,.3,;-2.16,3.42,;-3.7,3.42,;-4.47,4.75,;-6.01,4.75,;-6.78,3.42,;-6.01,2.09,;-6.78,.75,;-4.47,2.09,;.12,2.41,;1.15,1.26,;.59,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2ccc(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,wD:16.17,28.35,1.0,12.12,(.11,-4.75,;.88,-3.42,;2.42,-3.42,;3.19,-2.09,;4.73,-2.09,;5.5,-3.42,;7.04,-3.42,;7.81,-2.09,;7.04,-.75,;7.81,.58,;7.04,1.91,;5.5,1.91,;4.73,.58,;3.19,.58,;5.5,-.75,;.11,-2.09,;-1.43,-2.09,;-2.34,-3.33,;-3.8,-2.86,;-5.14,-3.63,;-6.47,-2.86,;-6.47,-1.32,;-7.81,-.55,;-5.14,-.55,;-3.8,-1.32,;-2.34,-.84,;-.83,-.52,;-.36,.94,;-1.39,2.09,;-2.89,1.77,;-3.37,.3,;-2.16,3.42,;-3.7,3.42,;-4.47,4.75,;-6.01,4.75,;-6.78,3.42,;-6.01,2.09,;-6.78,.75,;-4.47,2.09,;.12,2.41,;1.15,1.26,;.59,3.87,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:28.44,wD:25.28,28.35,1.0,12.12,t:18,(.11,-4.75,;.88,-3.42,;2.42,-3.42,;3.19,-2.09,;4.73,-2.09,;5.5,-3.42,;7.04,-3.42,;7.81,-2.09,;7.04,-.75,;7.81,.58,;7.04,1.91,;5.5,1.91,;4.73,.58,;3.19,.58,;5.5,-.75,;.11,-2.09,;-1.43,-2.09,;-2.34,-3.33,;-3.8,-2.86,;-5.14,-3.63,;-6.47,-2.86,;-7.81,-3.63,;-6.47,-1.32,;-5.14,-.55,;-3.8,-1.32,;-2.34,-.84,;-.83,-.52,;-.36,.94,;-1.39,2.09,;-2.89,1.77,;-3.37,.3,;-2.16,3.42,;-3.7,3.42,;-4.47,4.75,;-6.01,4.75,;-6.78,3.42,;-6.01,2.09,;-6.78,.75,;-4.47,2.09,;.12,2.41,;1.15,1.26,;.59,3.87,)|
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C[C@@H](COc1ccnc2[C@H](O)CC[C@@H](C)c12)CC1=Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,9.9,wD:1.0,13.13,t:19,(-.66,-4.75,;.11,-3.42,;1.65,-3.42,;2.42,-2.09,;3.96,-2.09,;4.73,-3.42,;6.27,-3.42,;7.04,-2.09,;6.27,-.75,;7.04,.58,;8.58,.58,;6.27,1.91,;4.73,1.91,;3.96,.58,;2.42,.58,;4.73,-.75,;-.66,-2.09,;-2.2,-2.09,;-3.11,-3.33,;-4.57,-2.86,;-5.91,-3.63,;-7.24,-2.86,;-8.58,-3.63,;-7.24,-1.32,;-5.91,-.55,;-4.57,-1.32,;-3.11,-.84,;-1.6,-.52,;-1.13,.94,;-2.16,2.09,;-3.66,1.77,;-4.14,.3,;-2.93,3.42,;-4.47,3.42,;-5.24,4.75,;-6.78,4.75,;-7.55,3.42,;-6.78,2.09,;-7.55,.75,;-5.24,2.09,;-.65,2.41,;.38,1.26,;-.18,3.87,)|
C[C@@H](COc1ccnc2[C@H](O)CC[C@@H](C)c12)C[C@H]1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,26.28,17.18,9.9,wD:29.36,1.0,13.13,(-.65,-4.77,;.11,-3.43,;1.65,-3.43,;2.42,-2.1,;3.96,-2.1,;4.73,-3.43,;6.27,-3.43,;7.04,-2.1,;6.27,-.77,;7.04,.57,;8.58,.57,;6.27,1.9,;4.73,1.9,;3.96,.57,;2.42,.57,;4.73,-.77,;-.64,-2.09,;-2.18,-2.06,;-3.09,-3.31,;-4.55,-2.83,;-5.88,-3.6,;-7.22,-2.83,;-8.58,-3.55,;-7.22,-1.29,;-5.88,-.52,;-4.55,-1.29,;-3.09,-.82,;-1.58,-.51,;-1.09,.95,;-2.11,2.1,;-3.62,1.8,;-4.11,.34,;-2.87,3.44,;-4.41,3.44,;-5.18,4.77,;-6.72,4.77,;-7.49,3.44,;-6.72,2.11,;-7.41,.73,;-5.18,2.11,;-.61,2.48,;.47,1.39,;-.19,3.96,)|
C[C@@H](COc1ccnc2[C@H](F)CC[C@@H](C)c12)CC1=Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,9.9,wD:29.36,26.29,1.0,13.13,t:19,(-.65,-4.77,;.11,-3.43,;1.65,-3.43,;2.42,-2.1,;3.96,-2.1,;4.73,-3.43,;6.27,-3.43,;7.04,-2.1,;6.27,-.77,;7.04,.57,;8.58,.57,;6.27,1.9,;4.73,1.9,;3.96,.57,;2.42,.57,;4.73,-.77,;-.64,-2.09,;-2.18,-2.06,;-3.09,-3.31,;-4.55,-2.83,;-5.88,-3.6,;-7.22,-2.83,;-8.58,-3.55,;-7.22,-1.29,;-5.88,-.52,;-4.55,-1.29,;-3.09,-.82,;-1.58,-.51,;-1.09,.95,;-2.11,2.1,;-3.62,1.8,;-4.11,.34,;-2.87,3.44,;-4.41,3.44,;-5.18,4.77,;-6.72,4.77,;-7.49,3.44,;-6.72,2.11,;-7.41,.73,;-5.18,2.11,;-.61,2.48,;.47,1.39,;-.19,3.96,)|
C[C@@H](COc1ccnc2[C@H](C)CC[C@@H](C)c12)C[C@H]1Cc2cc(F)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,26.28,17.18,9.9,wD:29.36,1.0,13.13,(-.65,-4.77,;.11,-3.43,;1.65,-3.43,;2.42,-2.1,;3.96,-2.1,;4.73,-3.43,;6.27,-3.43,;7.04,-2.1,;6.27,-.77,;7.04,.57,;8.58,.57,;6.27,1.9,;4.73,1.9,;3.96,.57,;2.42,.57,;4.73,-.77,;-.64,-2.09,;-2.18,-2.06,;-3.09,-3.31,;-4.55,-2.83,;-5.88,-3.6,;-7.22,-2.83,;-8.58,-3.55,;-7.22,-1.29,;-5.88,-.52,;-4.55,-1.29,;-3.09,-.82,;-1.58,-.51,;-1.09,.95,;-2.11,2.1,;-3.62,1.8,;-4.11,.34,;-2.87,3.44,;-4.41,3.44,;-5.18,4.77,;-6.72,4.77,;-7.49,3.44,;-6.72,2.11,;-7.41,.73,;-5.18,2.11,;-.61,2.48,;.47,1.39,;-.19,3.96,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2cc(F)c(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,wD:1.0,12.12,t:18,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-7.81,-.57,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc(F)c(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,16.17,wD:1.0,12.12,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-7.81,-.57,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2cc(F)c(F)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,wD:29.36,16.17,1.0,12.12,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-7.81,-.57,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2cc(Cl)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,wD:1.0,12.12,t:18,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc(Cl)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,16.17,wD:28.35,1.0,12.12,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2cc(Cl)ccc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,wD:28.35,16.17,1.0,12.12,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-7.81,-3.65,;-6.47,-1.34,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
C[C@@H](COc1ccnc2CCC[C@H](C)c12)C[C@H]1Cc2ccc(O)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:25.27,28.44,16.17,12.12,wD:28.35,1.0,(.11,-4.78,;.88,-3.44,;2.42,-3.44,;3.19,-2.11,;4.73,-2.11,;5.5,-3.44,;7.04,-3.44,;7.81,-2.11,;7.04,-.78,;7.81,.56,;7.04,1.89,;5.5,1.89,;4.73,.56,;3.19,.56,;5.5,-.78,;.11,-2.11,;-1.43,-2.11,;-2.34,-3.36,;-3.8,-2.88,;-5.14,-3.65,;-6.47,-2.88,;-6.47,-1.34,;-7.81,-.57,;-5.14,-.57,;-3.8,-1.34,;-2.34,-.86,;-.85,-.47,;-.45,1.02,;-1.54,2.11,;-3.03,1.71,;-3.43,.22,;-2.31,3.44,;-3.85,3.44,;-4.62,4.78,;-6.16,4.78,;-6.93,3.44,;-6.16,2.11,;-6.93,.78,;-4.62,2.11,;-.06,2.51,;1.03,1.42,;.34,4,)|
COc1ccc2C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:24.44,7.7,27.41,wD:27.32,9.9,21.21,(-8.47,-1.32,;-7.14,-.55,;-5.8,-1.32,;-5.8,-2.86,;-4.47,-3.63,;-3.14,-2.86,;-1.67,-3.33,;-.77,-2.09,;.77,-2.09,;1.54,-3.42,;.77,-4.75,;3.08,-3.42,;3.85,-2.09,;5.39,-2.09,;6.16,-3.42,;7.7,-3.42,;8.47,-2.09,;7.7,-.75,;8.47,.58,;7.7,1.91,;6.16,1.91,;5.39,.58,;3.85,.58,;6.16,-.75,;-1.67,-.84,;-.17,-.52,;.31,.94,;-.72,2.09,;-2.23,1.77,;-2.7,.3,;-1.49,3.42,;-3.03,3.42,;-3.8,4.75,;-5.34,4.75,;-6.11,3.42,;-5.34,2.09,;-6.11,.75,;-3.8,2.09,;.77,2.49,;1.86,1.4,;1.16,3.97,;-3.14,-1.32,;-4.47,-.55,)|
COc1ccc2C[C@@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:24.44,27.41,wD:27.32,7.7,9.9,21.21,(-8.47,-1.32,;-7.14,-.55,;-5.8,-1.32,;-5.8,-2.86,;-4.47,-3.63,;-3.14,-2.86,;-1.67,-3.33,;-.77,-2.09,;.77,-2.09,;1.54,-3.42,;.77,-4.75,;3.08,-3.42,;3.85,-2.09,;5.39,-2.09,;6.16,-3.42,;7.7,-3.42,;8.47,-2.09,;7.7,-.75,;8.47,.58,;7.7,1.91,;6.16,1.91,;5.39,.58,;3.85,.58,;6.16,-.75,;-1.67,-.84,;-.17,-.52,;.31,.94,;-.72,2.09,;-2.23,1.77,;-2.7,.3,;-1.49,3.42,;-3.03,3.42,;-3.8,4.75,;-5.34,4.75,;-6.11,3.42,;-5.34,2.09,;-6.11,.75,;-3.8,2.09,;.77,2.49,;1.86,1.4,;1.16,3.97,;-3.14,-1.32,;-4.47,-.55,)|
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CCOc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Cl |r,wU:25.27,8.8,28.43,wD:28.34,10.10,22.22,(-9.14,-.55,;-7.81,-1.32,;-6.47,-.55,;-5.14,-1.32,;-3.8,-.55,;-2.47,-1.32,;-2.47,-2.86,;-1.01,-3.33,;-.1,-2.09,;1.44,-2.09,;2.21,-3.42,;1.44,-4.75,;3.75,-3.42,;4.52,-2.09,;6.06,-2.09,;6.83,-3.42,;8.37,-3.42,;9.14,-2.09,;8.37,-.75,;9.14,.58,;8.37,1.91,;6.83,1.91,;6.06,.58,;4.52,.58,;6.83,-.75,;-1.01,-.84,;.5,-.52,;.98,.94,;-.05,2.09,;-1.56,1.77,;-2.04,.3,;-.82,3.42,;-2.36,3.42,;-3.13,4.75,;-4.67,4.75,;-5.44,3.42,;-4.67,2.09,;-5.44,.75,;-3.13,2.09,;1.45,2.41,;2.48,1.26,;1.93,3.87,;-3.8,-3.63,;-5.14,-2.86,;-6.47,-3.63,)|
CCOc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Br |r,wU:25.27,28.43,8.8,wD:28.34,10.10,22.22,(-9.14,-.57,;-7.81,-1.34,;-6.47,-.57,;-5.14,-1.34,;-3.8,-.57,;-2.47,-1.34,;-2.47,-2.88,;-1.01,-3.36,;-.1,-2.11,;1.44,-2.11,;2.21,-3.44,;1.44,-4.78,;3.75,-3.44,;4.52,-2.11,;6.06,-2.11,;6.83,-3.44,;8.37,-3.44,;9.14,-2.11,;8.37,-.78,;9.14,.56,;8.37,1.89,;6.83,1.89,;6.06,.56,;4.52,.56,;6.83,-.78,;-1.01,-.86,;.48,-.47,;.88,1.02,;-.21,2.11,;-1.7,1.71,;-2.09,.22,;-.98,3.44,;-2.52,3.44,;-3.29,4.78,;-4.83,4.78,;-5.6,3.44,;-4.83,2.11,;-5.6,.78,;-3.29,2.11,;1.28,2.51,;2.37,1.42,;1.68,4,;-3.8,-3.65,;-5.14,-2.88,;-6.47,-3.65,)|
CCOc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1F |r,wU:25.27,28.43,8.8,wD:28.34,10.10,22.22,(-9.14,-.57,;-7.81,-1.34,;-6.47,-.57,;-5.14,-1.34,;-3.8,-.57,;-2.47,-1.34,;-2.47,-2.88,;-1.01,-3.36,;-.1,-2.11,;1.44,-2.11,;2.21,-3.44,;1.44,-4.78,;3.75,-3.44,;4.52,-2.11,;6.06,-2.11,;6.83,-3.44,;8.37,-3.44,;9.14,-2.11,;8.37,-.78,;9.14,.56,;8.37,1.89,;6.83,1.89,;6.06,.56,;4.52,.56,;6.83,-.78,;-1.01,-.86,;.48,-.47,;.88,1.02,;-.21,2.11,;-1.7,1.71,;-2.09,.22,;-.98,3.44,;-2.52,3.44,;-3.29,4.78,;-4.83,4.78,;-5.6,3.44,;-4.83,2.11,;-5.6,.78,;-3.29,2.11,;1.28,2.51,;2.37,1.42,;1.68,4,;-3.8,-3.65,;-5.14,-2.88,;-6.47,-3.65,)|
CC(C)Oc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Cl |r,wU:26.28,29.44,9.9,wD:29.35,11.11,23.23,(-9.14,-.57,;-7.81,-1.34,;-7.81,-2.88,;-6.47,-.57,;-5.14,-1.34,;-3.8,-.57,;-2.47,-1.34,;-2.47,-2.88,;-1.01,-3.36,;-.1,-2.11,;1.44,-2.11,;2.21,-3.44,;1.44,-4.78,;3.75,-3.44,;4.52,-2.11,;6.06,-2.11,;6.83,-3.44,;8.37,-3.44,;9.14,-2.11,;8.37,-.78,;9.14,.56,;8.37,1.89,;6.83,1.89,;6.06,.56,;4.52,.56,;6.83,-.78,;-1.01,-.86,;.48,-.47,;.88,1.02,;-.21,2.11,;-1.7,1.71,;-2.09,.22,;-.98,3.44,;-2.52,3.44,;-3.29,4.78,;-4.83,4.78,;-5.6,3.44,;-4.83,2.11,;-5.6,.78,;-3.29,2.11,;1.28,2.51,;2.37,1.42,;1.68,4,;-3.8,-3.65,;-5.14,-2.88,;-6.47,-3.65,)|
CC(C)COc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Cl |r,wU:27.29,10.10,30.45,wD:30.36,12.12,24.24,(-9.81,-1.32,;-8.47,-.55,;-8.47,.99,;-7.14,-1.32,;-5.8,-.55,;-4.47,-1.32,;-3.14,-.55,;-1.8,-1.32,;-1.8,-2.86,;-.34,-3.33,;.57,-2.09,;2.11,-2.09,;2.88,-3.42,;2.11,-4.75,;4.42,-3.42,;5.19,-2.09,;6.73,-2.09,;7.5,-3.42,;9.04,-3.42,;9.81,-2.09,;9.04,-.75,;9.81,.58,;9.04,1.91,;7.5,1.91,;6.73,.58,;5.19,.58,;7.5,-.75,;-.34,-.84,;1.17,-.52,;1.64,.94,;.61,2.09,;-.89,1.77,;-1.37,.3,;-.16,3.42,;-1.7,3.42,;-2.47,4.75,;-4.01,4.75,;-4.78,3.42,;-4.01,2.09,;-4.78,.75,;-2.47,2.09,;2.1,2.49,;3.19,1.4,;2.5,3.97,;-3.14,-3.63,;-4.47,-2.86,;-5.8,-3.63,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc(Cl)c(OC3CCCC3)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:31.34,16.17,34.51,wD:34.42,1.0,12.12,(1.99,-4.75,;2.76,-3.42,;4.3,-3.42,;5.07,-2.09,;6.61,-2.09,;7.38,-3.42,;8.92,-3.42,;9.69,-2.09,;8.92,-.75,;9.69,.58,;8.92,1.91,;7.38,1.91,;6.61,.58,;5.07,.58,;7.38,-.75,;1.99,-2.09,;.45,-2.09,;-.45,-3.33,;-1.92,-2.86,;-3.25,-3.63,;-4.59,-2.86,;-5.92,-3.63,;-4.59,-1.32,;-5.92,-.55,;-7.25,-1.32,;-8.66,-.69,;-9.69,-1.84,;-8.92,-3.17,;-7.41,-2.85,;-3.25,-.55,;-1.92,-1.32,;-.45,-.84,;1.05,-.52,;1.53,.94,;.5,2.09,;-1.01,1.77,;-1.48,.3,;-.27,3.42,;-1.81,3.42,;-2.58,4.75,;-4.12,4.75,;-4.89,3.42,;-4.12,2.09,;-4.89,.75,;-2.58,2.09,;1.99,2.49,;3.07,1.4,;2.38,3.97,)|
COCCOc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Cl |r,wU:27.29,10.10,30.45,wD:30.36,12.12,24.24,(-9.81,-2.86,;-9.81,-1.32,;-8.47,-.55,;-7.14,-1.32,;-5.8,-.55,;-4.47,-1.32,;-3.14,-.55,;-1.8,-1.32,;-1.8,-2.86,;-.34,-3.33,;.57,-2.09,;2.11,-2.09,;2.88,-3.42,;2.11,-4.75,;4.42,-3.42,;5.19,-2.09,;6.73,-2.09,;7.5,-3.42,;9.04,-3.42,;9.81,-2.09,;9.04,-.75,;9.81,.58,;9.04,1.91,;7.5,1.91,;6.73,.58,;5.19,.58,;7.5,-.75,;-.34,-.84,;1.17,-.52,;1.64,.94,;.61,2.09,;-.89,1.77,;-1.37,.3,;-.16,3.42,;-1.7,3.42,;-2.47,4.75,;-4.01,4.75,;-4.78,3.42,;-4.01,2.09,;-4.78,.75,;-2.47,2.09,;2.1,2.49,;3.19,1.4,;2.5,3.97,;-3.14,-3.63,;-4.47,-2.86,;-5.8,-3.63,)|
COCCCOc1cc2c(C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1Cl |r,wU:28.30,11.11,31.46,wD:31.37,13.13,25.25,(-7.81,3.3,;-7.81,1.76,;-9.14,.99,;-9.14,-.55,;-7.81,-1.32,;-6.47,-.55,;-5.14,-1.32,;-3.8,-.55,;-2.47,-1.32,;-2.47,-2.86,;-1.01,-3.33,;-.1,-2.09,;1.44,-2.09,;2.21,-3.42,;1.44,-4.75,;3.75,-3.42,;4.52,-2.09,;6.06,-2.09,;6.83,-3.42,;8.37,-3.42,;9.14,-2.09,;8.37,-.75,;9.14,.58,;8.37,1.91,;6.83,1.91,;6.06,.58,;4.52,.58,;6.83,-.75,;-1.01,-.84,;.5,-.52,;.98,.94,;-.05,2.09,;-1.56,1.77,;-2.04,.3,;-.82,3.42,;-2.36,3.42,;-3.13,4.75,;-4.67,4.75,;-5.44,3.42,;-4.67,2.09,;-5.44,.75,;-3.13,2.09,;1.43,2.49,;2.52,1.4,;1.83,3.97,;-3.8,-3.63,;-5.14,-2.86,;-6.47,-3.63,)|
CCOc1cc2c(CC(C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]22CC[C@](CC2)(Nc2cccc(Cl)c2)C(O)=O)cc1C |r,wU:28.43,25.27,wD:28.34,10.10,22.22,(-8.47,-2.88,;-8.47,-1.34,;-7.14,-.57,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-3.14,-2.88,;-1.67,-3.36,;-.77,-2.11,;.77,-2.11,;1.54,-3.44,;.77,-4.78,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-4.47,-3.65,;-5.8,-2.88,;-7.14,-3.65,)|
COc1cc2C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2cc1OC |r,wU:26.40,23.43,6.6,wD:26.31,8.8,20.20,(-8.47,-2.86,;-7.14,-3.63,;-5.8,-2.86,;-4.47,-3.63,;-3.14,-2.86,;-1.67,-3.33,;-.77,-2.09,;.77,-2.09,;1.54,-3.42,;.77,-4.75,;3.08,-3.42,;3.85,-2.09,;5.39,-2.09,;6.16,-3.42,;7.7,-3.42,;8.47,-2.09,;7.7,-.75,;8.47,.58,;7.7,1.91,;6.16,1.91,;5.39,.58,;3.85,.58,;6.16,-.75,;-1.67,-.84,;-.17,-.52,;.31,.94,;-.72,2.09,;-2.23,1.77,;-2.7,.3,;-1.49,3.42,;-3.03,3.42,;-3.8,4.75,;-5.34,4.75,;-6.11,3.42,;-5.34,2.09,;-6.11,.75,;-3.8,2.09,;.79,2.41,;1.82,1.26,;1.26,3.87,;-3.14,-1.32,;-4.47,-.55,;-5.8,-1.32,;-7.14,-.55,;-8.47,-1.32,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc3OCCCCOc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:30.33,33.50,16.17,wD:1.0,12.12,(1.3,-4.78,;2.07,-3.44,;3.61,-3.44,;4.38,-2.11,;5.92,-2.11,;6.69,-3.44,;8.23,-3.44,;9,-2.11,;8.23,-.78,;9,.56,;8.23,1.89,;6.69,1.89,;5.92,.56,;4.38,.56,;6.69,-.78,;1.3,-2.11,;-.24,-2.11,;-1.15,-3.36,;-2.61,-2.88,;-3.95,-3.65,;-5.28,-2.88,;-6.37,-3.97,;-7.91,-3.97,;-9,-2.88,;-9,-1.34,;-7.91,-.25,;-6.37,-.25,;-5.28,-1.34,;-3.95,-.57,;-2.61,-1.34,;-1.15,-.86,;.34,-.47,;.74,1.02,;-.35,2.11,;-1.84,1.71,;-2.24,.22,;-1.12,3.44,;-2.66,3.44,;-3.43,4.78,;-4.97,4.78,;-5.74,3.44,;-4.97,2.11,;-5.74,.78,;-3.43,2.11,;1.14,2.51,;2.23,1.42,;1.54,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc3OCCCOc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:16.17,32.49,29.32,wD:1.0,12.12,(1.13,-4.78,;1.9,-3.44,;3.44,-3.44,;4.21,-2.11,;5.75,-2.11,;6.52,-3.44,;8.06,-3.44,;8.83,-2.11,;8.06,-.78,;8.83,.56,;8.06,1.89,;6.52,1.89,;5.75,.56,;4.21,.56,;6.52,-.78,;1.13,-2.11,;-.41,-2.11,;-1.32,-3.36,;-2.78,-2.88,;-4.12,-3.65,;-5.45,-2.88,;-6.66,-3.84,;-8.16,-3.5,;-8.83,-2.11,;-8.16,-.72,;-6.66,-.38,;-5.45,-1.34,;-4.12,-.57,;-2.78,-1.34,;-1.32,-.86,;.17,-.47,;.57,1.02,;-.52,2.11,;-2.01,1.71,;-2.41,.22,;-1.29,3.44,;-2.83,3.44,;-3.6,4.78,;-5.14,4.78,;-5.91,3.44,;-5.14,2.11,;-5.91,.78,;-3.6,2.11,;.96,2.51,;2.05,1.42,;1.36,4,)|
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C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2cc(C)c(C)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:26.28,29.45,wD:29.36,16.17,1.0,12.12,(.11,-4.75,;.88,-3.42,;2.42,-3.42,;3.19,-2.09,;4.73,-2.09,;5.5,-3.42,;7.04,-3.42,;7.81,-2.09,;7.04,-.75,;7.81,.58,;7.04,1.91,;5.5,1.91,;4.73,.58,;3.19,.58,;5.5,-.75,;.11,-2.09,;-1.43,-2.09,;-2.34,-3.33,;-3.8,-2.86,;-5.14,-3.63,;-6.47,-2.86,;-7.81,-3.63,;-6.47,-1.32,;-7.81,-.55,;-5.14,-.55,;-3.8,-1.32,;-2.34,-.84,;-.83,-.52,;-.36,.94,;-1.39,2.09,;-2.89,1.77,;-3.37,.3,;-2.16,3.42,;-3.7,3.42,;-4.47,4.75,;-6.01,4.75,;-6.78,3.42,;-6.01,2.09,;-6.78,.75,;-4.47,2.09,;.1,2.49,;1.19,1.4,;.5,3.97,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)=O |r,wU:27.43,wD:24.27,27.34,1.0,12.12,t:18,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)O |r,wU:27.43,wD:24.27,27.34,1.0,12.12,t:18,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)=O |r,wU:24.26,27.43,16.17,wD:27.34,1.0,12.12,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)[C@H](C)O |r,wU:24.26,27.43,16.17,41.48,wD:27.34,1.0,12.12,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)[C@@H](C)O |r,wU:24.26,27.43,16.17,wD:27.34,1.0,41.48,12.12,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
C[C@@H](COc1ccnc2[C@H](O)CC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)[C@H](C)O |r,wU:25.27,28.44,17.18,42.48,9.9,wD:28.35,1.0,13.13,(0,-4.78,;.77,-3.44,;2.31,-3.44,;3.08,-2.11,;4.62,-2.11,;5.39,-3.44,;6.93,-3.44,;7.7,-2.11,;6.93,-.78,;7.7,.56,;9.24,.56,;6.93,1.89,;5.39,1.89,;4.62,.56,;3.08,.56,;5.39,-.78,;0,-2.11,;-1.54,-2.11,;-2.44,-3.36,;-3.91,-2.88,;-5.24,-3.65,;-6.57,-2.88,;-6.57,-1.34,;-5.24,-.57,;-3.91,-1.34,;-2.44,-.86,;-.96,-.47,;-.56,1.02,;-1.65,2.11,;-3.13,1.71,;-3.53,.22,;-2.42,3.44,;-3.96,3.44,;-4.73,4.78,;-6.27,4.78,;-7.04,3.44,;-6.27,2.11,;-7.04,.78,;-4.73,2.11,;-.16,2.51,;.93,1.42,;.24,4,;-7.91,-.57,;-7.91,.97,;-9.24,-1.34,)|
C[C@@H](COc1ccnc2[C@H](O)CC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)[C@@H](C)O |r,wU:25.27,28.44,17.18,9.9,wD:28.35,1.0,42.48,13.13,(0,-4.78,;.77,-3.44,;2.31,-3.44,;3.08,-2.11,;4.62,-2.11,;5.39,-3.44,;6.93,-3.44,;7.7,-2.11,;6.93,-.78,;7.7,.56,;9.24,.56,;6.93,1.89,;5.39,1.89,;4.62,.56,;3.08,.56,;5.39,-.78,;0,-2.11,;-1.54,-2.11,;-2.44,-3.36,;-3.91,-2.88,;-5.24,-3.65,;-6.57,-2.88,;-6.57,-1.34,;-5.24,-.57,;-3.91,-1.34,;-2.44,-.86,;-.96,-.47,;-.56,1.02,;-1.65,2.11,;-3.13,1.71,;-3.53,.22,;-2.42,3.44,;-3.96,3.44,;-4.73,4.78,;-6.27,4.78,;-7.04,3.44,;-6.27,2.11,;-7.04,.78,;-4.73,2.11,;-.16,2.51,;.93,1.42,;.24,4,;-7.91,-.57,;-7.91,.97,;-9.24,-1.34,)|
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C[C@@H](COc1ccnc2[C@H](F)CC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)O |r,wU:25.27,28.44,17.18,9.9,wD:28.35,1.0,13.13,(0,-4.78,;.77,-3.44,;2.31,-3.44,;3.08,-2.11,;4.62,-2.11,;5.39,-3.44,;6.93,-3.44,;7.7,-2.11,;6.93,-.78,;7.7,.56,;9.24,.56,;6.93,1.89,;5.39,1.89,;4.62,.56,;3.08,.56,;5.39,-.78,;0,-2.11,;-1.54,-2.11,;-2.44,-3.36,;-3.91,-2.88,;-5.24,-3.65,;-6.57,-2.88,;-6.57,-1.34,;-5.24,-.57,;-3.91,-1.34,;-2.44,-.86,;-.96,-.47,;-.56,1.02,;-1.65,2.11,;-3.13,1.71,;-3.53,.22,;-2.42,3.44,;-3.96,3.44,;-4.73,4.78,;-6.27,4.78,;-7.04,3.44,;-6.27,2.11,;-7.04,.78,;-4.73,2.11,;-.16,2.51,;.93,1.42,;.24,4,;-7.91,-.57,;-7.91,.97,;-9.24,-1.34,)|
C[C@@H](COc1ccnc2[C@H](C)CC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)O |r,wU:25.27,28.44,17.18,9.9,wD:28.35,1.0,13.13,(0,-4.78,;.77,-3.44,;2.31,-3.44,;3.08,-2.11,;4.62,-2.11,;5.39,-3.44,;6.93,-3.44,;7.7,-2.11,;6.93,-.78,;7.7,.56,;9.24,.56,;6.93,1.89,;5.39,1.89,;4.62,.56,;3.08,.56,;5.39,-.78,;0,-2.11,;-1.54,-2.11,;-2.44,-3.36,;-3.91,-2.88,;-5.24,-3.65,;-6.57,-2.88,;-6.57,-1.34,;-5.24,-.57,;-3.91,-1.34,;-2.44,-.86,;-.96,-.47,;-.56,1.02,;-1.65,2.11,;-3.13,1.71,;-3.53,.22,;-2.42,3.44,;-3.96,3.44,;-4.73,4.78,;-6.27,4.78,;-7.04,3.44,;-6.27,2.11,;-7.04,.78,;-4.73,2.11,;-.16,2.51,;.93,1.42,;.24,4,;-7.91,-.57,;-7.91,.97,;-9.24,-1.34,)|
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C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2ccc(C=O)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,wD:29.36,26.29,1.0,12.12,t:18,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-7.14,-.57,;-8.47,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,)|
COC(=O)[C@]1(CC[C@@]2(CC1)C(C[C@@H](C)COc1ccnc3CCC[C@@H](C)c13)=Cc1ccc(C=O)cc21)Nc1cccc(Cl)c1 |r,wU:4.3,wD:4.40,7.10,12.13,24.25,c:29,(3.19,1.82,;1.7,1.42,;.61,2.51,;1.01,4,;-.88,2.11,;.21,1.02,;-.19,-.47,;-1.67,-.86,;-2.76,.22,;-2.36,1.71,;-.77,-2.11,;.77,-2.11,;1.54,-3.44,;.77,-4.78,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-7.14,-.57,;-8.47,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2ccc(CO)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:29.45,wD:29.36,26.29,1.0,12.12,t:18,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-5.8,-1.34,;-7.14,-.57,;-8.47,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)CC1=Cc2ccc(COC3CCCO3)cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:34.51,wD:34.42,31.35,1.0,12.12,t:18,(2.66,-4.78,;3.43,-3.44,;4.97,-3.44,;5.74,-2.11,;7.28,-2.11,;8.05,-3.44,;9.59,-3.44,;10.36,-2.11,;9.59,-.78,;10.36,.56,;9.59,1.89,;8.05,1.89,;7.28,.56,;5.74,.56,;8.05,-.78,;2.66,-2.11,;1.12,-2.11,;.21,-3.36,;-1.25,-2.88,;-2.59,-3.65,;-3.92,-2.88,;-3.92,-1.34,;-5.25,-.57,;-6.59,-1.34,;-7.92,-.57,;-9.33,-1.2,;-10.36,-.05,;-9.59,1.28,;-8.08,.96,;-2.59,-.57,;-1.25,-1.34,;.21,-.86,;1.7,-.47,;2.1,1.02,;1.01,2.11,;-.48,1.71,;-.88,.22,;.24,3.44,;-1.3,3.44,;-2.07,4.78,;-3.61,4.78,;-4.38,3.44,;-3.61,2.11,;-4.38,.78,;-2.07,2.11,;2.5,2.51,;3.59,1.42,;2.9,4,)|
C[C@@H](COc1ccnc2CCC[C@H](C)c12)CC1=Cc2cc(F)c(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)=O |r,wU:28.44,12.12,wD:25.28,1.0,28.35,t:18,(.77,-4.78,;1.54,-3.44,;3.08,-3.44,;3.85,-2.11,;5.39,-2.11,;6.16,-3.44,;7.7,-3.44,;8.47,-2.11,;7.7,-.78,;8.47,.56,;7.7,1.89,;6.16,1.89,;5.39,.56,;3.85,.56,;6.16,-.78,;.77,-2.11,;-.77,-2.11,;-1.67,-3.36,;-3.14,-2.88,;-4.47,-3.65,;-5.8,-2.88,;-7.14,-3.65,;-5.8,-1.34,;-4.47,-.57,;-3.14,-1.34,;-1.67,-.86,;-.19,-.47,;.21,1.02,;-.88,2.11,;-2.36,1.71,;-2.76,.22,;-1.65,3.44,;-3.19,3.44,;-3.96,4.78,;-5.5,4.78,;-6.27,3.44,;-5.5,2.11,;-6.27,.78,;-3.96,2.11,;.61,2.51,;1.7,1.42,;1.01,4,;-7.14,-.57,;-7.14,.97,;-8.47,-1.34,)|
COC[C@H]1C[C@@H]1c1ccc2C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:31.46,28.49,11.12,3.2,wD:13.14,5.6,31.37,25.26,(-9.91,.97,;-9.91,-.57,;-8.58,-1.34,;-7.24,-.57,;-6.47,.76,;-5.7,-.57,;-4.37,-1.34,;-4.37,-2.88,;-3.03,-3.65,;-1.7,-2.88,;-.24,-3.36,;.67,-2.11,;2.21,-2.11,;2.98,-3.44,;2.21,-4.78,;4.52,-3.44,;5.29,-2.11,;6.83,-2.11,;7.6,-3.44,;9.14,-3.44,;9.91,-2.11,;9.14,-.78,;9.91,.56,;9.14,1.89,;7.6,1.89,;6.83,.56,;5.29,.56,;7.6,-.78,;-.24,-.86,;1.25,-.47,;1.65,1.02,;.56,2.11,;-.93,1.71,;-1.32,.22,;-.21,3.44,;-1.75,3.44,;-2.52,4.78,;-4.06,4.78,;-4.83,3.44,;-4.06,2.11,;-4.83,.78,;-2.52,2.11,;2.05,2.51,;3.14,1.42,;2.45,4,;-1.7,-1.34,;-3.03,-.57,)|
COC[C@@H]1C[C@H]1c1ccc2C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:31.46,28.49,11.12,5.6,wD:13.14,31.37,25.26,3.2,(-9.91,.97,;-9.91,-.57,;-8.58,-1.34,;-7.24,-.57,;-6.47,.76,;-5.7,-.57,;-4.37,-1.34,;-4.37,-2.88,;-3.03,-3.65,;-1.7,-2.88,;-.24,-3.36,;.67,-2.11,;2.21,-2.11,;2.98,-3.44,;2.21,-4.78,;4.52,-3.44,;5.29,-2.11,;6.83,-2.11,;7.6,-3.44,;9.14,-3.44,;9.91,-2.11,;9.14,-.78,;9.91,.56,;9.14,1.89,;7.6,1.89,;6.83,.56,;5.29,.56,;7.6,-.78,;-.24,-.86,;1.25,-.47,;1.65,1.02,;.56,2.11,;-.93,1.71,;-1.32,.22,;-.21,3.44,;-1.75,3.44,;-2.52,4.78,;-4.06,4.78,;-4.83,3.44,;-4.06,2.11,;-4.83,.78,;-2.52,2.11,;2.05,2.51,;3.14,1.42,;2.45,4,;-1.7,-1.34,;-3.03,-.57,)|
COc1ccccc1-c1ccc2C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:33.48,30.51,13.14,wD:15.16,33.39,27.28,(-6.47,-3.65,;-7.81,-2.88,;-7.81,-1.34,;-9.14,-.57,;-9.14,.97,;-7.81,1.74,;-6.47,.97,;-6.47,-.57,;-5.14,-1.34,;-5.14,-2.88,;-3.8,-3.65,;-2.47,-2.88,;-1.01,-3.36,;-.1,-2.11,;1.44,-2.11,;2.21,-3.44,;1.44,-4.78,;3.75,-3.44,;4.52,-2.11,;6.06,-2.11,;6.83,-3.44,;8.37,-3.44,;9.14,-2.11,;8.37,-.78,;9.14,.56,;8.37,1.89,;6.83,1.89,;6.06,.56,;4.52,.56,;6.83,-.78,;-1.01,-.86,;.48,-.47,;.88,1.02,;-.21,2.11,;-1.7,1.71,;-2.09,.22,;-.98,3.44,;-2.52,3.44,;-3.29,4.78,;-4.83,4.78,;-5.6,3.44,;-4.83,2.11,;-5.6,.78,;-3.29,2.11,;1.28,2.51,;2.37,1.42,;1.68,4,;-2.47,-1.34,;-3.8,-.57,)|
COc1cccc(c1)-c1ccc2C[C@H](C[C@@H](C)COc3ccnc4CCC[C@@H](C)c34)[C@]3(CC[C@](CC3)(Nc3cccc(Cl)c3)C(O)=O)c2c1 |r,wU:33.48,30.51,13.14,wD:15.16,33.39,27.28,(-9.81,-2.88,;-9.81,-1.34,;-8.47,-.57,;-8.47,.97,;-7.14,1.74,;-5.8,.97,;-5.8,-.57,;-7.14,-1.34,;-4.47,-1.34,;-4.47,-2.88,;-3.14,-3.65,;-1.8,-2.88,;-.34,-3.36,;.57,-2.11,;2.11,-2.11,;2.88,-3.44,;2.11,-4.78,;4.42,-3.44,;5.19,-2.11,;6.73,-2.11,;7.5,-3.44,;9.04,-3.44,;9.81,-2.11,;9.04,-.78,;9.81,.56,;9.04,1.89,;7.5,1.89,;6.73,.56,;5.19,.56,;7.5,-.78,;-.34,-.86,;1.15,-.47,;1.55,1.02,;.46,2.11,;-1.03,1.71,;-1.43,.22,;-.31,3.44,;-1.85,3.44,;-2.62,4.78,;-4.16,4.78,;-4.93,3.44,;-4.16,2.11,;-4.93,.78,;-2.62,2.11,;1.95,2.51,;3.03,1.42,;2.34,4,;-1.8,-1.34,;-3.14,-.57,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)-c1ccsc1 |r,wU:27.43,24.26,16.17,wD:1.0,27.34,12.12,(1.32,-4.78,;2.09,-3.44,;3.63,-3.44,;4.4,-2.11,;5.94,-2.11,;6.71,-3.44,;8.25,-3.44,;9.02,-2.11,;8.25,-.78,;9.02,.56,;8.25,1.89,;6.71,1.89,;5.94,.56,;4.4,.56,;6.71,-.78,;1.32,-2.11,;-.22,-2.11,;-1.12,-3.36,;-2.59,-2.88,;-3.92,-3.65,;-5.25,-2.88,;-5.25,-1.34,;-3.92,-.57,;-2.59,-1.34,;-1.12,-.86,;.37,-.47,;.76,1.02,;-.32,2.11,;-1.81,1.71,;-2.21,.22,;-1.09,3.44,;-2.63,3.44,;-3.4,4.78,;-4.94,4.78,;-5.71,3.44,;-4.94,2.11,;-5.71,.78,;-3.4,2.11,;1.16,2.51,;2.25,1.42,;1.56,4,;-6.59,-.57,;-6.75,.96,;-8.25,1.28,;-9.02,-.05,;-7.99,-1.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)-c1ccsc1 |r,wU:27.43,24.26,wD:16.17,1.0,27.34,12.12,(1.32,-4.78,;2.09,-3.44,;3.63,-3.44,;4.4,-2.11,;5.94,-2.11,;6.71,-3.44,;8.25,-3.44,;9.02,-2.11,;8.25,-.78,;9.02,.56,;8.25,1.89,;6.71,1.89,;5.94,.56,;4.4,.56,;6.71,-.78,;1.32,-2.11,;-.22,-2.11,;-1.12,-3.36,;-2.59,-2.88,;-3.92,-3.65,;-5.25,-2.88,;-5.25,-1.34,;-3.92,-.57,;-2.59,-1.34,;-1.12,-.86,;.37,-.47,;.76,1.02,;-.32,2.11,;-1.81,1.71,;-2.21,.22,;-1.09,3.44,;-2.63,3.44,;-3.4,4.78,;-4.94,4.78,;-5.71,3.44,;-4.94,2.11,;-5.71,.78,;-3.4,2.11,;1.16,2.51,;2.25,1.42,;1.56,4,;-6.59,-.57,;-6.75,.96,;-8.25,1.28,;-9.02,-.05,;-7.99,-1.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)-c1ccc[nH]1 |r,wU:27.43,24.26,wD:16.17,1.0,27.34,12.12,(1.32,-4.78,;2.09,-3.44,;3.63,-3.44,;4.4,-2.11,;5.94,-2.11,;6.71,-3.44,;8.25,-3.44,;9.02,-2.11,;8.25,-.78,;9.02,.56,;8.25,1.89,;6.71,1.89,;5.94,.56,;4.4,.56,;6.71,-.78,;1.32,-2.11,;-.22,-2.11,;-1.12,-3.36,;-2.59,-2.88,;-3.92,-3.65,;-5.25,-2.88,;-5.25,-1.34,;-3.92,-.57,;-2.59,-1.34,;-1.12,-.86,;.37,-.47,;.76,1.02,;-.32,2.11,;-1.81,1.71,;-2.21,.22,;-1.09,3.44,;-2.63,3.44,;-3.4,4.78,;-4.94,4.78,;-5.71,3.44,;-4.94,2.11,;-5.71,.78,;-3.4,2.11,;1.16,2.51,;2.25,1.42,;1.56,4,;-6.59,-.57,;-6.75,.96,;-8.25,1.28,;-9.02,-.05,;-7.99,-1.2,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2ccc(cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)-c1cccn1C |r,wU:27.43,24.26,16.17,wD:1.0,27.34,12.12,(1.32,-4.78,;2.09,-3.44,;3.63,-3.44,;4.4,-2.11,;5.94,-2.11,;6.71,-3.44,;8.25,-3.44,;9.02,-2.11,;8.25,-.78,;9.02,.56,;8.25,1.89,;6.71,1.89,;5.94,.56,;4.4,.56,;6.71,-.78,;1.32,-2.11,;-.22,-2.11,;-1.12,-3.36,;-2.59,-2.88,;-3.92,-3.65,;-5.25,-2.88,;-5.25,-1.34,;-3.92,-.57,;-2.59,-1.34,;-1.12,-.86,;.37,-.47,;.76,1.02,;-.32,2.11,;-1.81,1.71,;-2.21,.22,;-1.09,3.44,;-2.63,3.44,;-3.4,4.78,;-4.94,4.78,;-5.71,3.44,;-4.94,2.11,;-5.71,.78,;-3.4,2.11,;1.16,2.51,;2.25,1.42,;1.56,4,;-6.59,-.57,;-6.75,.96,;-8.25,1.28,;-9.02,-.05,;-7.99,-1.2,;-8.31,-2.7,)|
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C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc3OCC(F)(F)COc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O |r,wU:34.51,31.34,16.17,wD:34.42,1.0,12.12,(1.79,-4.75,;2.56,-3.41,;4.1,-3.41,;4.87,-2.08,;6.41,-2.08,;7.18,-3.41,;8.72,-3.41,;9.49,-2.08,;8.72,-.74,;9.49,.59,;8.72,1.92,;7.18,1.92,;6.41,.59,;4.87,.59,;7.18,-.74,;1.79,-2.08,;.25,-2.08,;-.65,-3.32,;-2.12,-2.85,;-3.45,-3.62,;-4.79,-2.85,;-5.99,-3.81,;-7.49,-3.47,;-8.16,-2.08,;-9.49,-1.31,;-9.49,-2.85,;-7.49,-.69,;-5.99,-.35,;-4.79,-1.31,;-3.45,-.54,;-2.12,-1.31,;-.65,-.83,;.86,-.56,;1.39,.89,;.39,2.06,;-1.12,1.79,;-1.65,.34,;-.35,3.41,;-1.89,3.41,;-2.66,4.75,;-4.2,4.75,;-4.97,3.41,;-4.2,2.08,;-4.97,.74,;-2.66,2.08,;1.89,2.43,;2.98,1.34,;2.29,3.91,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc3O[C@@H](CCOc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)C |r,wU:32.49,29.32,16.17,wD:32.40,1.0,12.12,22.52,(2.03,-4.07,;2.8,-2.73,;4.34,-2.73,;5.11,-1.4,;6.65,-1.4,;7.42,-2.73,;8.96,-2.73,;9.73,-1.4,;8.96,-.07,;9.73,1.27,;8.96,2.6,;7.42,2.6,;6.65,1.27,;5.11,1.27,;7.42,-.07,;2.03,-1.4,;.49,-1.4,;-.41,-2.65,;-1.88,-2.17,;-3.21,-2.94,;-4.54,-2.17,;-5.75,-3.13,;-7.25,-2.79,;-7.92,-1.4,;-7.25,-.01,;-5.75,.33,;-4.54,-.63,;-3.21,.14,;-1.88,-.63,;-.41,-.15,;1.1,.12,;1.63,1.57,;.63,2.74,;-.88,2.47,;-1.41,1.02,;-.11,4.09,;-1.65,4.09,;-2.42,5.42,;-3.96,5.42,;-4.73,4.09,;-3.96,2.76,;-4.73,1.42,;-2.42,2.76,;2.13,3.11,;3.22,2.02,;2.53,4.59,;-8.21,-3.99,;-9.73,-3.76,;-7.65,-5.42,)|
C[C@@H](COc1ccnc2CCC[C@@H](C)c12)C[C@H]1Cc2cc3OCC[C@H](Oc3cc2[C@@]11CC[C@](CC1)(Nc1cccc(Cl)c1)C(O)=O)C(C)C |r,wU:32.49,29.32,16.17,24.52,wD:32.40,1.0,12.12,(2.03,-4.75,;2.8,-3.41,;4.34,-3.41,;5.11,-2.08,;6.65,-2.08,;7.42,-3.41,;8.96,-3.41,;9.73,-2.08,;8.96,-.74,;9.73,.59,;8.96,1.92,;7.42,1.92,;6.65,.59,;5.11,.59,;7.42,-.74,;2.03,-2.08,;.49,-2.08,;-.41,-3.32,;-1.88,-2.85,;-3.21,-3.62,;-4.54,-2.85,;-5.75,-3.81,;-7.25,-3.47,;-7.92,-2.08,;-7.25,-.69,;-5.75,-.35,;-4.54,-1.31,;-3.21,-.54,;-1.88,-1.31,;-.41,-.83,;1.1,-.56,;1.63,.89,;.63,2.06,;-.88,1.79,;-1.41,.34,;-.11,3.41,;-1.65,3.41,;-2.42,4.75,;-3.96,4.75,;-4.73,3.41,;-3.96,2.08,;-4.73,.74,;-2.42,2.08,;2.13,2.43,;3.22,1.34,;2.53,3.91,;-8.21,.51,;-9.73,.28,;-7.65,1.95,)|
CO[C@@H]1[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
CO[C@H]1[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
C[C@H]1C/C=C/[C@@H]([C@H]2[C@@H](CCO2)CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)OC
C[C@H]1C\C=C(F)\[C@H](OCCN2CCOCC2)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@@H](OCCN2CCOCC2)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
CO[C@]1(CN2CCN3CCOC[C@@H]3C2)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:59|
CO[C@@]1(CN2CCN3CCOC[C@@H]3C2)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:59|
CO[C@H]1\C=C\C[C@H](C)C[S@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@@H]14)c3c2 |r,t:3|
COC1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\C[C@H](C)C[S@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@@H]14)c3c2 |r,t:3|
CO[C@@H]1[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ncc(nc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
CO[C@H]1[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ncc(nc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:46|
C[C@H]1C\C=C\[C@H](CO)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
C[C@H]1C\C=C\[C@@H](CO)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
COCC1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@@H]14)c3c2 |r,t:4|
COCCN(CCOC)CC1(OC)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C\C=C1/F |r,t:56|
C[C@H]1C\C=C\C(O)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
C[C@H]1C\C=C\C(OCCN2CCOCC2)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
C[C@H]1C\C=C(F)\[C@@](O)(CC(=O)N(C)C)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
C[C@H]1C\C=C(F)\[C@](O)(CC(=O)N(C)C)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,c:3|
COC1[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)N=[S@](=O)(C[C@@H](C)C\C=C1/F)NC(=O)c1cn(C)nc1OC |r,t:44|
COC1[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)N=[S@@](=O)(C[C@@H](C)C\C=C1/F)NC(=O)c1cn(C)nc1OC |r,t:44|
COc1nn(C)cc1C(=O)N[S@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@H]4C(CN4CCN5CCOC[C@@H]5C4)(OC)\C(F)=C\C[C@H](C)C1)c3c2 |r,t:62|
COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CCO[C@H]4C(CN4CCN5CCOC[C@@H]5C4)(OC)\C(F)=C\C[C@H](C)C1)c3c2 |r,t:62|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-6.46,6.12,;-4.99,6.6,;-4.52,8.06,;-2.98,8.06,;-1.89,9.15,;-2.5,6.6,;-1.04,6.12,;-3.75,5.69,;-3.75,4.15,;-5.08,3.38,;-6.41,4.15,;-5.08,1.84,;-3.75,1.07,;-2.41,1.84,;-.95,1.37,;-.47,-.1,;-1.56,-1.19,;-.47,-2.28,;-.47,-3.82,;1.07,-3.82,;1.84,-2.48,;3.38,-2.48,;4.15,-1.15,;3.38,.18,;4.15,1.52,;3.67,2.98,;4.92,3.89,;4.92,5.43,;3.73,6.33,;2.12,6.73,;1.03,5.64,;-.47,5.32,;-.95,3.86,;-.04,2.61,;1.5,2.61,;2.27,1.28,;2.27,3.95,;-2.41,3.38,;6.16,2.98,;5.69,1.52,;6.46,.18,;4.15,-3.82,;3.38,-5.15,;4.15,-6.48,;3.38,-7.82,;4.15,-9.15,;1.84,-7.82,;1.07,-6.48,;1.84,-5.15,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CS(=O)(=O)CCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-6.46,6.12,;-4.99,6.6,;-4.52,8.06,;-2.98,8.06,;-1.89,9.15,;-2.5,6.6,;-1.04,6.12,;-3.75,5.69,;-3.75,4.15,;-5.08,3.38,;-6.41,4.15,;-5.08,1.84,;-3.75,1.07,;-2.41,1.84,;-.95,1.37,;-.47,-.1,;-1.56,-1.19,;-.47,-2.28,;-.47,-3.82,;1.07,-3.82,;1.84,-2.48,;3.38,-2.48,;4.15,-1.15,;3.38,.18,;4.15,1.52,;3.67,2.98,;4.92,3.89,;4.92,5.43,;3.73,6.33,;3.73,7.87,;5.22,6.73,;2.12,6.73,;1.03,5.64,;-.47,5.32,;-.95,3.86,;-.04,2.61,;1.5,2.61,;2.27,1.28,;2.27,3.95,;-2.41,3.38,;6.16,2.98,;5.69,1.52,;6.46,.18,;4.15,-3.82,;3.38,-5.15,;4.15,-6.48,;3.38,-7.82,;4.15,-9.15,;1.84,-7.82,;1.07,-6.48,;1.84,-5.15,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CS(=O)(=O)CCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-6.46,6.12,;-4.99,6.6,;-4.52,8.06,;-2.98,8.06,;-1.89,9.15,;-2.5,6.6,;-1.04,6.12,;-3.75,5.69,;-3.75,4.15,;-5.08,3.38,;-6.41,4.15,;-5.08,1.84,;-3.75,1.07,;-2.41,1.84,;-.95,1.37,;-.47,-.1,;-1.56,-1.19,;-.47,-2.28,;-.47,-3.82,;1.07,-3.82,;1.84,-2.48,;3.38,-2.48,;4.15,-1.15,;3.38,.18,;4.15,1.52,;3.67,2.98,;4.92,3.89,;4.92,5.43,;3.73,6.5,;3.73,8.04,;5.22,6.89,;2.12,6.73,;1.03,5.64,;-.47,5.32,;-.95,3.86,;-.04,2.61,;1.5,2.61,;2.27,1.28,;2.27,3.95,;-2.41,3.38,;6.16,2.98,;5.69,1.52,;6.46,.18,;4.15,-3.82,;3.38,-5.15,;4.15,-6.48,;3.38,-7.82,;4.15,-9.15,;1.84,-7.82,;1.07,-6.48,;1.84,-5.15,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-7.21,5.1,;-5.75,5.58,;-5.27,7.04,;-3.73,7.04,;-2.83,8.29,;-3.25,5.58,;-1.79,5.1,;-4.5,4.67,;-4.5,3.13,;-5.83,2.36,;-7.17,3.13,;-5.83,.82,;-4.5,.05,;-3.17,.82,;-1.7,.35,;-1.23,-1.12,;-2.26,-2.26,;-1.78,-3.73,;-.29,-4.33,;1.19,-3.93,;1.59,-2.44,;3.08,-2.05,;3.4,-.64,;4.74,-.11,;4.57,1.42,;3.23,2.18,;3.53,3.69,;2.74,4.66,;1.21,3.97,;-0,4.74,;-1.23,4.3,;-1.7,2.84,;-.8,1.59,;.74,1.59,;1.51,.26,;1.51,2.92,;-3.17,2.36,;5.06,3.87,;5.7,2.47,;7.21,2.16,;4.17,-3.13,;3.77,-4.62,;4.86,-5.71,;4.46,-7.2,;5.55,-8.29,;2.97,-7.6,;1.88,-6.51,;2.28,-5.02,)|
Cn1cc(cn1)-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41
COCCn1nc(C)c(c1C)-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-7.89,9.97,;-6.35,9.97,;-5.58,8.63,;-4.04,8.63,;-3.27,7.3,;-1.73,7.3,;-1.26,5.84,;.21,5.36,;-2.5,4.93,;-3.75,5.84,;-5.21,5.36,;-2.5,3.39,;-3.84,2.62,;-5.17,3.39,;-3.84,1.08,;-2.5,.31,;-1.17,1.08,;.29,.6,;.77,-.86,;-.26,-2,;.83,-3.09,;.83,-4.63,;2.37,-4.63,;3.14,-3.3,;4.68,-3.3,;5.45,-1.97,;4.68,-.63,;5.45,.7,;4.97,2.17,;6.22,3.07,;6.22,4.61,;5.13,5.7,;3.49,6.05,;2.28,4.88,;.77,4.56,;.29,3.1,;1.2,1.85,;2.74,1.85,;3.51,.52,;3.51,3.18,;-1.17,2.62,;7.46,2.17,;6.99,.7,;7.89,-.54,;5.45,-4.63,;4.68,-5.97,;5.45,-7.3,;4.68,-8.63,;5.45,-9.97,;3.14,-8.63,;2.37,-7.3,;3.14,-5.97,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCn(c3C(O)=O)c12)nn5C)cc1ccccc41 |(-6.55,5.4,;-5.09,5.88,;-4.61,7.34,;-3.07,7.34,;-2.17,8.59,;-2.6,5.88,;-1.13,5.4,;-3.84,4.97,;-3.84,3.43,;-5.18,2.66,;-6.51,3.43,;-5.18,1.12,;-3.84,.35,;-2.51,1.12,;-1.05,.65,;-.57,-.82,;-1.6,-1.96,;-.51,-3.05,;-.51,-4.59,;1.03,-4.59,;1.8,-3.26,;3.34,-3.26,;4.11,-1.92,;3.34,-.59,;4.11,.75,;3.63,2.21,;4.88,3.12,;4.88,4.66,;3.79,5.74,;2.35,4.84,;-.12,4.97,;-1.05,3.14,;-.14,1.89,;1.4,1.89,;2.17,.56,;2.17,3.23,;-2.51,2.66,;6.12,2.21,;5.65,.75,;6.55,-.5,;4.11,-4.59,;3.34,-5.92,;4.11,-7.26,;3.34,-8.59,;1.8,-8.59,;1.03,-7.26,;1.8,-5.92,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(SCc5cc(CSCCn(c3C(O)=O)c12)nn5C)cc1ccccc41 |(-6.55,5.4,;-5.09,5.88,;-4.61,7.34,;-3.07,7.34,;-2.17,8.59,;-2.6,5.88,;-1.13,5.4,;-3.84,4.97,;-3.84,3.43,;-5.18,2.66,;-6.51,3.43,;-5.18,1.12,;-3.84,.35,;-2.51,1.12,;-1.05,.65,;-.57,-.82,;-1.6,-1.96,;-.51,-3.05,;-.51,-4.59,;1.03,-4.59,;1.8,-3.26,;3.34,-3.26,;4.11,-1.92,;3.34,-.59,;4.11,.75,;3.63,2.21,;4.88,3.12,;4.88,4.66,;3.79,5.74,;2.35,4.84,;-.12,4.97,;-1.05,3.14,;-.14,1.89,;1.4,1.89,;2.17,.56,;2.17,3.23,;-2.51,2.66,;6.12,2.21,;5.65,.75,;6.55,-.5,;4.11,-4.59,;3.34,-5.92,;4.11,-7.26,;3.34,-8.59,;1.8,-8.59,;1.03,-7.26,;1.8,-5.92,)|
Cn1nc2CS(=O)CCCn3c(C(O)=O)c(CCCOc4cc(CCc1c2)cc1cc(F)ccc41)c1ccc(Cl)c(-c2cncnc2)c31
Cc1c(c(CO)nn1C)-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-.49,6.07,;-1.96,6.55,;-3.2,5.64,;-4.45,6.55,;-5.91,6.07,;-7.06,7.1,;-3.97,8.01,;-2.43,8.01,;-1.53,9.26,;-3.2,4.1,;-4.54,3.33,;-5.87,4.1,;-4.54,1.79,;-3.2,1.02,;-1.87,1.79,;-.41,1.32,;.07,-.15,;-.96,-1.29,;.13,-2.38,;.13,-3.92,;1.67,-3.92,;2.44,-2.59,;3.98,-2.59,;4.75,-1.26,;3.98,.08,;4.75,1.41,;4.27,2.88,;5.52,3.78,;5.52,5.32,;4.43,6.41,;2.94,6.81,;1.85,5.72,;.07,5.27,;-.41,3.81,;.5,2.56,;2.04,2.56,;2.81,1.23,;2.81,3.9,;-1.87,3.33,;6.76,2.88,;6.29,1.41,;7.06,.08,;4.75,-3.92,;3.98,-5.26,;4.75,-6.59,;3.98,-7.92,;4.75,-9.26,;2.44,-7.92,;1.67,-6.59,;2.44,-5.26,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(SCc5cc(CSCCCn(c3C(O)=O)c12)nn5C)cc1ccccc41 |(-6.52,-6.03,;-5.06,-5.55,;-4.58,-4.09,;-3.04,-4.09,;-2.14,-2.84,;-2.56,-5.55,;-1.1,-6.03,;-3.81,-6.46,;-3.81,-8,;-5.14,-8.77,;-6.48,-8,;-5.14,-10.31,;-3.81,-11.08,;-2.48,-10.31,;-1.01,-10.78,;-.54,-12.25,;-1.63,-13.34,;-.54,-14.43,;-.54,-16.15,;1,-16.15,;1.77,-14.82,;3.31,-14.82,;4.08,-13.48,;3.31,-12.15,;4.08,-10.82,;3.6,-9.35,;4.85,-8.45,;4.85,-6.91,;3.36,-6.51,;2.59,-5.17,;1.82,-6.51,;-.54,-6.83,;-1.01,-8.29,;-.11,-9.54,;1.43,-9.54,;2.2,-10.87,;2.2,-8.2,;-2.48,-8.77,;6.09,-9.35,;5.62,-10.82,;6.52,-12.06,;4.08,-16.15,;3.31,-17.48,;4.08,-18.82,;3.31,-20.15,;1.77,-20.15,;1,-18.82,;1.77,-17.48,)|
COCCOCc1nn(C)c(C)c1-c1c(Cl)ccc2c3CCCOc4cc(CCc5cc(CSCCCn(c3C(O)=O)c12)nn5C)cc1cc(F)ccc41 |(-9.62,8.96,;-8.49,7.8,;-6.99,8.22,;-5.92,7.15,;-4.4,7.5,;-3.25,6.43,;-1.82,6.83,;-1.27,8.15,;.27,8.15,;1.42,9.33,;.64,6.7,;2.16,6.11,;-.58,5.89,;-.6,4.35,;-1.99,3.57,;-3.34,4.28,;-1.99,2.02,;-.64,1.26,;.64,2.02,;2.1,1.52,;2.58,.09,;1.51,-1.07,;2.66,-2.13,;2.66,-3.96,;4.18,-3.93,;4.95,-2.61,;6.49,-2.61,;7.25,-1.24,;6.51,.04,;7.25,1.43,;6.82,2.87,;8.03,3.8,;8.03,5.35,;6.66,6.8,;5.14,7.09,;3.99,5.91,;2.53,5.52,;2.1,4,;3.01,2.78,;4.53,2.74,;5.32,1.41,;5.32,4.09,;.64,3.54,;9.27,2.85,;8.79,1.39,;9.62,.04,;7.23,-3.93,;6.49,-5.26,;7.23,-6.61,;6.49,-7.93,;7.27,-9.33,;4.95,-7.93,;4.21,-6.61,;4.95,-5.24,)|
C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:30.32,wD:1.0,(20.84,-14.32,;21.62,-15.64,;23.16,-15.63,;23.92,-14.29,;25.46,-14.28,;26.24,-15.61,;26.22,-12.94,;25.44,-11.62,;23.9,-11.64,;26.19,-10.28,;25.41,-8.96,;27.74,-10.27,;28.52,-11.6,;30.05,-11.59,;30.8,-10.25,;30.82,-12.9,;30.06,-14.24,;30.84,-15.57,;28.53,-14.25,;27.76,-12.93,;32.36,-12.89,;33.14,-14.22,;32.38,-15.56,;34.68,-14.21,;35.44,-12.86,;36.98,-12.84,;37.77,-14.16,;37.01,-15.51,;39.31,-14.14,;40.09,-15.47,;41.63,-15.45,;42.39,-14.1,;42.42,-16.77,;41.66,-18.11,;42.45,-19.43,;43.99,-19.42,;44.74,-18.06,;43.95,-16.74,;37.73,-11.49,;39.27,-11.47,;36.94,-10.16,;37.68,-8.82,;35.4,-10.19,;34.65,-11.53,;33.11,-11.55,;32.33,-10.23,;20.86,-16.98,;19.32,-16.99,;18.56,-18.33,;19.33,-19.67,;20.87,-19.66,;21.64,-18.32,)|
C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:1.0,wD:30.32,(19.56,-.32,;20.34,-1.65,;21.88,-1.63,;22.64,-.3,;24.18,-.29,;24.96,-1.61,;24.94,1.05,;24.16,2.37,;22.62,2.36,;24.91,3.71,;24.13,5.04,;26.46,3.73,;27.24,2.4,;28.76,2.41,;29.52,3.75,;29.54,1.1,;28.79,-.25,;29.56,-1.58,;27.25,-.26,;26.48,1.07,;31.08,1.1,;31.86,-.23,;31.1,-1.56,;33.4,-.21,;34.16,1.14,;35.7,1.15,;36.49,-.17,;35.73,-1.51,;38.03,-.15,;38.81,-1.47,;40.35,-1.45,;41.11,-.11,;41.14,-2.78,;40.38,-4.11,;41.17,-5.44,;42.71,-5.42,;43.46,-4.07,;42.68,-2.75,;36.45,2.5,;37.99,2.53,;35.65,3.83,;36.4,5.18,;34.12,3.8,;33.37,2.47,;31.83,2.44,;31.05,3.76,;19.58,-2.99,;18.04,-3,;17.27,-4.33,;18.05,-5.67,;19.59,-5.66,;20.36,-4.32,)|
COc1c(SCC(O)=O)cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc12
COc1c(CCCCO)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
CC(=O)Oc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
COc1c(I)cc(C=O)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
CS(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O
Cc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2Br)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2F)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)N2CCN(CC2)c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O
OC(=O)CSc1cc(NC(=O)c2ccc(Br)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O
OC(=O)CSc1cc(CNS(=O)(=O)c2ccccc2)c2ccccc2c1O
OC(=O)CSc1cc(NC(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O
OC(=O)CSc1cc(NC(=O)Cc2ccccc2)c2ccccc2c1O
Oc1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12
CCCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
NC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
OCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
OCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
OC(=O)CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
OC(=O)CCSc1cc(NS(=O)(=O)c2cccc3ccccc23)c2ccccc2c1O
COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC
COc1c(SCC(N)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc12
Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc12
OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13|
[H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7|
CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O
OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)Cc3ccccc3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)CCc3ccccc3)cccc2C1=O)C(O)=O |r|
C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc(c2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r|
COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NS(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N(C[C@H]2C)[C@@H](C)C(O)=O)cc1 |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc3ccccc3c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3cccc(F)c3)cccc2C1=O)C(O)=O |r|
C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccccc3F)cccc2C1=O)C(O)=O |r|
Oc1cc(ccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccc(cc1O)P(O)(O)=O)P(O)(O)=O |(6.4,-8.98,;7.51,-8.45,;8.77,-9.34,;10.17,-8.68,;10.3,-7.15,;9.04,-6.27,;7.64,-6.92,;6.38,-6.04,;5.27,-6.56,;6.52,-4.5,;7.83,-3.7,;7.47,-2.2,;8.28,-1.27,;5.94,-2.08,;5.29,-1.03,;5.37,-3.49,;3.91,-3.97,;3.43,-5.43,;4.15,-6.43,;1.89,-5.43,;1.16,-6.42,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,;-2.67,1.54,;-3.73,.92,;-3.74,2.16,;-2.67,2.77,;11.43,-9.57,;11.33,-10.79,;12.44,-10.27,;12.55,-9.04,)|
OC(=O)Cn1cc(nn1)-c1cc(O)c(cc1Cl)C(=O)c1cc(Cl)c(Cl)n1-c1c(Cl)c(Cl)[nH]c1C(=O)c1cc(Cl)c(cc1O)-c1cn(CC(O)=O)nn1 |(-7.2,3.94,;-6.48,4.94,;-6.99,6.06,;-4.95,4.78,;-4.32,3.38,;-2.81,3.06,;-2.67,1.54,;-4.05,.9,;-5.09,2.04,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.4,-1.39,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;1.42,-3.96,;1.89,-5.43,;1.16,-6.42,;3.43,-5.43,;4.15,-6.43,;3.91,-3.97,;5.37,-3.49,;5.94,-2.08,;5.29,-1.03,;7.47,-2.2,;8.28,-1.27,;7.83,-3.7,;6.52,-4.5,;6.38,-6.04,;5.27,-6.56,;7.64,-6.92,;9.04,-6.27,;10.3,-7.15,;11.42,-6.63,;10.17,-8.68,;8.77,-9.34,;7.51,-8.45,;6.4,-8.98,;11.43,-9.57,;12.87,-9.05,;13.8,-10.28,;15.34,-10.26,;16.13,-11.58,;15.53,-12.66,;17.36,-11.56,;12.91,-11.54,;11.44,-11.09,)|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r|
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)C2=O)cc1 |r|
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O
OC(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O
Cc1cccc(c1)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O
Cc1ccc(cc1)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O
Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-7.41,-13.93,;-6.18,-13.93,;-5.27,-15.18,;-3.8,-14.7,;-2.8,-15.42,;-3.8,-13.16,;-2.81,-12.42,;-5.26,-12.7,;-5.75,-11.24,;-7.28,-10.92,;-7.77,-9.46,;-6.73,-8.28,;-5.22,-8.61,;-3.98,-7.73,;-3.99,-6.18,;-2.65,-5.41,;-2.66,-3.86,;-1.33,-3.08,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.58,;-1.29,-8.07,;-.35,-8.87,;-1.06,-6.85,;-3.2,-10.06,;-2.28,-11.29,;-.75,-11.11,;.17,-12.35,;1.71,-12.18,;2.63,-13.42,;2.01,-14.83,;.48,-15.01,;-.44,-13.77,;-4.74,-10.07,)|
Cc1nn(C)c(COc2ccccc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|
CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(C)nn(C)c3COc3ccc(cc3)N3CCNCC3)c2n1CCN1CCOCC1 |(-2.22,9.38,;-1.29,8.57,;.16,9.07,;1.32,8.06,;1.09,6.85,;2.78,8.56,;4.01,7.7,;4.01,6.16,;2.67,5.39,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;5.25,8.57,;6.76,8.24,;7.8,9.4,;7.33,10.86,;5.8,11.19,;5.32,12.66,;3.87,13.12,;2.87,12.39,;3.87,14.66,;5.34,15.13,;5.72,16.3,;6.24,13.88,;7.78,13.86,;8.56,15.19,;10.1,15.17,;10.89,16.5,;12.43,16.48,;13.18,15.13,;12.4,13.81,;10.86,13.83,;14.72,15.12,;15.51,16.44,;17.05,16.42,;17.8,15.07,;17.01,13.75,;15.47,13.77,;4.78,10.03,;3.25,10.03,;2.34,11.27,;.8,11.1,;-.11,12.34,;-1.64,12.17,;-2.55,13.41,;-1.93,14.82,;-.4,14.99,;.51,13.75,)|
CC(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-19.84,-16.43,;-19.23,-15.36,;-19.85,-14.29,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|
CCS(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-22.14,-17.78,;-21.53,-16.71,;-19.99,-16.7,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.36,-17.76,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)|
Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)N2CCOCC2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-18.62,-14.29,;-19.99,-16.7,;-19.21,-18.03,;-19.97,-19.37,;-21.51,-19.38,;-22.29,-18.05,;-21.53,-16.71,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|
Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8
OC(=O)c1[nH]c2ccccc2c1CCCCC1CCCCC1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|
OC(=O)c1c(CCCOc2ccc3CCCCc3c2)c2cccc3SCCn1c23
Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)ccc1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCSc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCCc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCOc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCCSc4cccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCCc4c(Cl)ccc2c34)cc(C)c1Cl
Cc1cc(OCCCc2c(C(O)=O)n3CCOc4c(Cl)ccc2c34)cc(C)c1Cl
COCCCc1c(C(O)=O)n(CCN2CCOCC2)c2c(cccc12)-c1c(C)nn(C)c1COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N(C)C |(6.12,5.96,;5.74,4.79,;4.23,4.48,;3.75,3.01,;2.24,2.7,;1.76,1.24,;2.66,.02,;4.2,.04,;4.83,-1.02,;4.8,1.11,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.25,;5.2,-7.4,;3.69,-7.08,;3.21,-5.62,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-1.02,-3.09,;.23,-3.96,;1.4,-3.56,;-.23,-5.43,;-1.77,-5.45,;-2.48,-6.45,;-2.26,-3.99,;-3.73,-3.52,;-4.87,-4.56,;-6.33,-4.09,;-7.48,-5.12,;-8.94,-4.65,;-9.27,-3.14,;-8.12,-2.11,;-6.66,-2.58,;-10.73,-2.67,;-11.88,-3.7,;-13.34,-3.23,;-13.66,-1.72,;-12.52,-.69,;-11.05,-1.16,;-15.13,-1.25,;-15.39,-.04,;-16.3,-.87,;-16.27,-2.28,;-17.45,-1.9,;-16.02,-3.48,)|
CC1Cn2c(cc3cccc(S1)c23)C(O)=O
OC(=O)c1cc2cccc3SCCn1c23
OC(=O)c1cc2cccc3CCCn1c23
Cc1c(C(O)=O)n2CCSc3cccc1c23
Cc1c(C(O)=O)n2CCCc3cccc1c23
Cc1c(C(O)=O)n2CCOc3cccc1c23
c1ccc2c(c1)cc([nH]2)C(=O)O
OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3SCCn1c23
OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3CCCn1c23
OC(=O)c1c(CCOc2cccc3ccccc23)c2cccc3OCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCn1c23
c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3OCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3(=O)=O
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3SCCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3[S+]([O-])CCCn1c23
OC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O
OC(=O)c1c(CCCOc2cccc3CCCCc23)c2cccc3SCCn1c23
OC(=O)c1c(CCCOc2ccc(Cl)c3ccccc23)c2cccc3SCCn1c23
CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(/N)N)C(O)=O
CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O
CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C
CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)cc2=O
CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccccc1)c2=O
CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
Cc1ccccc1N1C(=S)S\C(=C/c2cccc(OCc3ccc(cc3)C(O)=O)c2)C1=O
COc1ccccc1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
COc1ccccc1N1C(=S)S\C(=C/c2cccc(OCc3ccc(cc3)C(O)=O)c2)C1=O
Cc1cccc(C)c1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
OC(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(Br)cc3)cc2)cc1
OC(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(I)cc3)cc2)cc1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2cccc(C)c2)C1=O |r|
Cc1cccc(c1)-c1ccc(C[C@@H]2NC(=O)N([C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C2=O)cc1 |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r|
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N1CCCCC1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N1CCN(CC1)c1ccccc1
OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Cc1cc(Oc2ccc(cc2)N(C2CCCC2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccoc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cc(n[nH]2)-c2ccccc2O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(F)c2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc(F)cc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccccc2C(F)(F)F)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc(cc2)C(F)(F)F)cc(C)c1Cl
CCC(CC)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
CC(C)CC(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(14,4.44,;13.37,5.5,;13.97,6.58,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccoc2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.46,8.22,;14.59,9.27,;15.93,8.53,;15.64,7.01,;8.78,2.77,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccn2C)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.46,8.22,;14.59,9.27,;15.93,8.53,;15.64,7.01,;16.47,6.11,;8.78,2.77,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(c2)C(F)(F)F)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;13.28,10.84,;13.88,11.91,;12.05,10.82,;12.65,11.89,;8.78,2.77,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cn(C)c3ccccc23)cc(C)c1Cl
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14,4.44,;14.12,6.85,;13.33,8.17,;14.08,9.52,;15.62,9.54,;16.41,8.22,;15.66,6.87,;16.45,5.55,;17.68,5.57,;15.85,4.47,;17.08,4.49,;8.78,2.77,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cc3ccccc3o2)cc(C)c1Cl
Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(O)=O |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.4,7.18,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(O)=O |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.4,7.18,)|
Oc1ccccc1-c1cc([nH]n1)C(F)(F)C(F)(F)F
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NC2Cc3ccccc3C2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.32,5.64,;13.64,7.14,;14.98,7.91,;14.96,9.47,;13.62,10.23,;12.28,9.44,;12.3,7.9,;11.17,6.86,;8.78,2.77,)|
CN(CCc1ccccc1)c1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(11.71,3.08,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;9.54,4.11,;8.78,2.77,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NCCc2ccccc2)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;9.54,4.11,;11.08,4.13,;11.83,5.48,;13.37,5.5,;14.12,6.85,;15.66,6.87,;16.41,8.22,;15.62,9.54,;14.08,9.52,;13.33,8.17,;8.78,2.77,)|
Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccn2C)cc(C)c1Cl
CC(C)CCNc1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.78,2.77,;7.24,2.75,;6.46,4.07,;7.21,5.42,;8.75,5.44,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccncc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.12,7.31,;5.94,8.84,;4.52,9.44,;4.33,10.97,;2.92,11.57,;1.68,10.65,;1.87,9.12,;3.29,8.52,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.76,2.91,;9.06,4.42,;7.72,5.17,;6.59,4.13,;7.54,6.7,;8.52,7.44,;6.12,7.31,;5.94,8.84,;4.52,9.44,;4.33,10.97,;2.92,11.57,;1.68,10.65,;1.87,9.12,;3.29,8.52,)|
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.78,2.77,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,)|
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc[nH]2)cc(C)c1Cl
CC(C)CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(16.26,7.95,;15.66,6.87,;16.29,5.81,;14.12,6.85,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.78,2.77,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,)|
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)[C@H]2Cc3ccccc3N2)cc(C)c1Cl |r|
CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)|
Cc1cc(OCCCc2c([nH]c3c(c(Cl)ccc23)-c2cccnc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl |(9.43,-8.27,;8.22,-8.02,;7.74,-6.56,;6.23,-6.24,;5.75,-4.78,;4.24,-4.47,;3.75,-3.01,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-1.02,3.09,;.32,3.85,;.33,5.39,;-.99,6.17,;-2.34,5.42,;-2.35,3.88,;-3.42,3.27,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.78,2.77,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;5.21,-7.39,;5.69,-8.86,;4.87,-9.77,;7.2,-9.17,;7.58,-10.34,)|
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl
Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccco2)cc(C)c1Cl
Oc1c(F)cc(\C=C\C(=O)c2ccc3OCCc3c2)cc1F
Oc1ccc(\C=C\C(=O)c2ccc3OCCc3c2)cc1F
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1N
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1[N+]([O-])=O
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(cc1)C(F)(F)F
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(N)cc1
COc1cc(C(=O)\C=C\c2ccc3OCOc3c2)c(O)c(OC)c1OC
COc1cc(O)c(C(=O)\C=C\c2ccc(O)c(OC)c2)c(OC)c1
Oc1ccc(\C=C\C(=O)c2ccc3OCCc3c2)cc1
COc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1
COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c(O)c1
Oc1ccc(cc1)C(=O)\C=C\c1ccncc1
COc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1
COc1cc(C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c(O)c(OC)c1OC
COc1cc(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(O)c(OC)c1OC
COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1
COc1cc(O)c(C(=O)\C=C\c2ccccc2[N+]([O-])=O)c(OC)c1OC
COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c(OC)c1OC
COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(OC)c1OC
Oc1c(F)cc(\C=C\C(=O)c2ccncc2)cc1Cl
COc1cc(C(=O)\C=C\c2ccc(O)cc2)c(O)c(OC)c1OC
COc1ccc(cc1)C(=O)\C=C\c1cccc(F)c1O
COc1ccc(C(=O)\C=C\c2ccc(O)c(F)c2)c(OC)c1OC
COc1ccc(cc1)C(=O)\C=C\c1cc(Cl)c(O)c(OC)c1
COc1ccc(cc1)C(=O)\C=C\c1cc(F)c(O)c(Cl)c1
COc1ccc(C(=O)\C=C\c2cc(F)c(O)c(Cl)c2)c(OC)c1OC
COc1ccc(C(=O)\C=C\c2cc(Cl)c(O)c(OC)c2)c(OC)c1OC
[H][C@@]12CO[C@@H](c3ccc4OCOc4c3)[C@@]1([H])CO[C@@H]2c1ccc2OCOc2c1 |r|
[H][C@]12CC[C@@H](OC3(O)C(=O)c4ccccc4C3=O)[C@]1(C)CC[C@@]1([H])[C@]3([H])CCC(=O)C=C3CC[C@]21[H] |r,c:33|
Cc1c(\C=N\N2Cc3[nH]c4ccccc4c3N=C2)c(=O)oc2c3CCCN4CCCc(cc12)c34 |c:18|
Cc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
Cc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1
COc1ccccc1\C=C\C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(Cl)c2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1
Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)cc1
COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)C(=O)c1ccccc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1
COC(=O)CN\C=C1/C(=O)C(O)=C(C(C)C)c2cc(C)c(c(O)c12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NC(=O)OC)c2c1O |t:11,34,(52.15,-50.19,;53.49,-49.43,;53.5,-47.9,;54.84,-47.15,;52.18,-47.12,;52.19,-45.59,;50.86,-44.8,;50.87,-43.26,;52.2,-42.51,;53.54,-43.28,;52.21,-40.97,;53.54,-40.2,;50.88,-40.19,;50.88,-38.65,;52.21,-37.89,;49.54,-37.88,;49.55,-40.97,;48.2,-40.2,;46.89,-40.98,;45.54,-40.21,;46.9,-42.52,;48.22,-43.28,;48.23,-44.82,;49.55,-42.5,;45.56,-43.29,;45.57,-44.83,;46.91,-45.6,;44.24,-45.6,;42.91,-44.83,;41.58,-45.6,;41.58,-47.14,;40.25,-47.91,;42.92,-47.9,;40.25,-44.83,;38.91,-45.61,;40.25,-43.29,;38.91,-42.53,;41.58,-42.52,;41.58,-40.98,;40.24,-40.2,;40.25,-38.67,;38.92,-37.9,;41.57,-37.9,;42.9,-38.67,;42.91,-43.29,;44.23,-42.53,;44.23,-40.99,)|
COC(=O)CCCCN\C=C1/C(=O)C(O)=C(C(C)C)c2cc(C)c(c(O)c12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCCCC(=O)OC)c2c1O |t:14,37,(38.46,-1.68,;37.13,-.91,;35.8,-1.69,;34.46,-.91,;35.79,-3.22,;37.12,-3.99,;37.12,-5.53,;38.45,-6.3,;38.45,-7.84,;39.78,-8.61,;39.78,-10.16,;38.45,-10.93,;37.11,-10.17,;38.45,-12.48,;37.11,-13.25,;39.78,-13.24,;39.79,-14.79,;38.45,-15.56,;41.13,-15.55,;41.12,-12.47,;42.45,-13.25,;43.78,-12.47,;45.12,-13.25,;43.78,-10.93,;42.45,-10.17,;42.44,-8.62,;41.12,-10.93,;45.11,-10.15,;45.1,-8.61,;43.76,-7.85,;46.42,-7.83,;47.77,-8.6,;49.1,-7.83,;49.1,-6.28,;50.44,-5.52,;47.76,-5.51,;50.43,-8.61,;51.77,-7.84,;50.43,-10.15,;51.76,-10.92,;49.09,-10.9,;49.09,-12.45,;50.42,-13.23,;50.4,-14.77,;51.72,-15.55,;51.71,-17.09,;53.03,-17.87,;53.02,-19.4,;54.34,-20.19,;51.68,-20.16,;51.67,-21.7,;47.77,-10.14,;46.44,-10.92,;46.44,-12.46,)|
CC(C)C1=C(O)C(=O)\C(=C/NCCCC(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCCC(O)=O)c2c1O |c:3,t:35,(21.56,-15.44,;22.9,-14.67,;24.24,-15.44,;22.9,-13.13,;21.57,-12.36,;20.23,-13.14,;21.57,-10.81,;20.23,-10.05,;22.9,-10.04,;22.9,-8.49,;21.56,-7.72,;21.56,-6.18,;20.24,-5.41,;20.24,-3.88,;18.91,-3.11,;18.91,-1.57,;17.58,-3.88,;24.23,-10.81,;25.56,-10.05,;25.56,-8.51,;26.89,-10.81,;26.9,-12.35,;28.24,-13.13,;25.56,-13.13,;24.23,-12.35,;28.23,-10.04,;28.21,-8.5,;26.87,-7.73,;29.54,-7.71,;30.89,-8.48,;32.21,-7.71,;32.21,-6.17,;33.55,-5.4,;30.88,-5.4,;33.54,-8.49,;34.89,-7.72,;33.54,-10.03,;34.88,-10.8,;32.21,-10.79,;32.2,-12.33,;33.53,-13.11,;33.51,-14.65,;34.84,-15.43,;34.82,-16.97,;36.15,-17.75,;36.13,-19.29,;37.49,-17,;30.88,-10.02,;29.55,-10.8,;29.56,-12.34,)|
CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
COC(=O)CCN\C=C1/C(=O)C(O)=C(C(C)C)c2cc(C)c(c(O)c12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCC(=O)OC)c2c1O |t:12,35,(14.51,-18.72,;14.52,-17.18,;13.2,-16.4,;11.86,-17.16,;13.21,-14.87,;11.89,-14.09,;11.91,-12.55,;10.58,-11.77,;10.58,-10.22,;11.92,-9.47,;13.25,-10.24,;11.92,-7.93,;13.26,-7.16,;10.59,-7.15,;10.59,-5.61,;11.93,-4.84,;9.25,-4.84,;9.26,-7.92,;7.91,-7.15,;6.59,-7.94,;5.25,-7.17,;6.61,-9.48,;7.93,-10.24,;7.94,-11.78,;9.26,-9.46,;5.27,-10.25,;5.27,-11.79,;6.61,-12.57,;3.94,-12.57,;2.61,-11.79,;1.28,-12.56,;1.28,-14.11,;-.07,-14.88,;2.62,-14.87,;-.05,-11.8,;-1.4,-12.57,;-.05,-10.25,;-1.4,-9.49,;1.28,-9.48,;1.28,-7.93,;-.07,-7.16,;-.07,-5.62,;-1.39,-4.85,;-1.39,-3.32,;-2.72,-2.54,;-.06,-2.55,;1.28,-3.31,;2.61,-10.25,;3.94,-9.49,;3.93,-7.95,)|
COC(=O)CCCN\C=C1/C(=O)C(O)=C(C(C)C)c2cc(C)c(c(O)c12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCCC(=O)OC)c2c1O |t:13,36,(17.1,-1.29,;15.77,-2.06,;15.77,-3.59,;14.44,-4.36,;17.1,-4.36,;17.09,-5.89,;18.42,-6.66,;18.42,-8.2,;19.76,-8.98,;19.76,-10.52,;18.42,-11.29,;17.08,-10.53,;18.42,-12.84,;17.09,-13.62,;19.76,-13.61,;19.76,-15.15,;18.42,-15.92,;21.1,-15.92,;21.09,-12.84,;22.42,-13.61,;23.75,-12.84,;25.09,-13.61,;23.75,-11.29,;22.42,-10.53,;22.41,-8.99,;21.09,-11.29,;25.09,-10.52,;25.07,-8.98,;23.73,-8.21,;26.39,-8.19,;27.74,-8.97,;29.07,-8.19,;29.07,-6.65,;30.41,-5.88,;27.73,-5.88,;30.4,-8.97,;31.74,-8.2,;30.4,-10.51,;31.73,-11.28,;29.06,-11.27,;29.06,-12.81,;30.39,-13.6,;30.37,-15.13,;31.7,-15.91,;31.68,-17.45,;33,-18.23,;34.34,-17.48,;32.99,-19.77,;34.32,-20.55,;27.74,-10.5,;26.41,-11.28,;26.42,-12.83,)|
COC(=O)CCCCCN\C=C1/C(=O)C(O)=C(C(C)C)c2cc(C)c(c(O)c12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCCCCC(=O)OC)c2c1O |t:15,38,(7.27,-21.51,;7.27,-19.97,;5.94,-19.21,;5.94,-17.67,;4.61,-19.98,;4.61,-21.51,;3.28,-22.27,;3.28,-23.8,;1.96,-24.57,;1.96,-26.1,;3.3,-26.88,;3.3,-28.42,;1.96,-29.2,;.62,-28.44,;1.96,-30.74,;.63,-31.52,;3.3,-31.51,;3.3,-33.06,;1.96,-33.83,;4.64,-33.83,;4.63,-30.74,;5.96,-31.52,;7.3,-30.74,;8.64,-31.52,;7.29,-29.19,;5.96,-28.44,;5.96,-26.89,;4.63,-29.2,;8.63,-28.42,;8.62,-26.88,;7.27,-26.11,;9.94,-26.1,;11.29,-26.87,;12.62,-26.09,;12.62,-24.55,;13.96,-23.78,;11.28,-23.78,;13.95,-26.87,;15.29,-26.1,;13.95,-28.41,;15.29,-29.19,;12.61,-29.17,;12.61,-30.72,;13.94,-31.5,;13.94,-33.03,;12.61,-33.79,;12.61,-35.32,;11.28,-36.08,;11.28,-37.61,;9.95,-38.37,;9.95,-39.9,;8.63,-37.6,;7.3,-38.37,;11.29,-28.41,;9.96,-29.19,;9.96,-30.73,)|
CC(C)C1=C(O)C(=O)\C(=C/NCC(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCC(O)=O)c2c1O |c:3,t:33,(2.5,-24.54,;3.83,-23.77,;5.17,-24.53,;3.83,-22.23,;2.49,-21.46,;1.16,-22.22,;2.49,-19.91,;1.16,-19.14,;3.82,-19.14,;3.82,-17.6,;2.48,-16.83,;2.48,-15.29,;1.14,-14.53,;-.19,-15.3,;1.14,-12.99,;5.16,-19.9,;6.48,-19.13,;6.53,-17.89,;7.82,-19.89,;7.83,-21.44,;9.17,-22.21,;6.49,-22.21,;5.16,-21.45,;9.14,-19.12,;9.13,-17.58,;7.79,-16.82,;10.45,-16.8,;11.8,-17.56,;13.12,-16.79,;13.11,-15.25,;14.43,-14.47,;11.76,-14.49,;14.45,-17.54,;15.78,-16.76,;14.47,-19.08,;15.81,-19.84,;13.14,-19.86,;13.15,-21.4,;14.49,-22.16,;14.5,-23.7,;13.17,-24.48,;11.83,-23.71,;13.18,-26.02,;11.81,-19.1,;10.48,-19.88,;10.49,-21.42,)|
CC(C)C1=C(O)C(=O)\C(=C/NCCCCC(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2C(C(C)C)=C(O)C(=O)\C(=C/NCCCCC(O)=O)c2c1O |c:3,t:36,(2.5,-24.54,;3.83,-23.77,;5.17,-24.53,;3.83,-22.23,;2.49,-21.46,;1.16,-22.22,;2.49,-19.91,;1.16,-19.14,;3.82,-19.14,;3.82,-17.6,;2.48,-16.83,;1.15,-17.61,;-.19,-16.84,;-1.52,-17.62,;-2.85,-16.85,;-4.18,-17.62,;-5.52,-16.86,;-4.18,-19.16,;5.16,-19.9,;6.48,-19.13,;6.53,-17.89,;7.82,-19.89,;7.83,-21.44,;9.17,-22.21,;6.49,-22.21,;5.16,-21.45,;9.14,-19.12,;9.13,-17.58,;7.79,-16.82,;10.45,-16.8,;11.8,-17.56,;13.12,-16.79,;13.11,-15.25,;14.43,-14.47,;11.76,-14.49,;14.45,-17.54,;15.78,-16.76,;14.47,-19.08,;15.81,-19.84,;13.14,-19.86,;13.15,-21.4,;14.49,-22.16,;15.82,-21.38,;17.16,-22.14,;18.48,-21.37,;19.82,-22.13,;21.15,-21.35,;22.49,-22.11,;21.14,-19.81,;11.81,-19.1,;10.48,-19.88,;10.49,-21.42,)|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@@H]2CN[C@@H](C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(C)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r|
CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r|
COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCCc3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(Cl)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r|
CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r|
COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1 |r|
CCC[C@@H](O)Cc1c(Br)c(O)c2c3c1c1c(C[C@H](O)CCC)c(Br)c(O)c4c1c1c3c3c(c(O)c(Br)c(O)c3c2=O)c2c(O)c(Br)c(O)c(c12)c4=O |r|
CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3C(=C)CO[C@@]3(O)[C@H]3O[C@@]123 |r|
CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3C(=C)CO[C@@]3(OC)[C@H]3O[C@@]123 |r|
CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |(3.81,-6.1,;2.48,-6.86,;1.15,-6.08,;2.46,-8.4,;3.8,-9.19,;5.14,-8.43,;3.78,-10.73,;5.1,-11.52,;2.43,-11.49,;1.11,-10.71,;-.21,-11.46,;-.21,-13,;-1.54,-10.69,;-2.88,-11.46,;-4.22,-10.68,;-4.22,-9.14,;-5.55,-11.46,;-6.89,-10.68,;-8.22,-11.46,;-9.55,-10.69,;-8.22,-13.01,;-9.55,-13.78,;-6.89,-13.78,;-6.89,-15.31,;-8.22,-16.08,;-5.56,-16.08,;-5.55,-13.01,;-4.21,-13.77,;-4.21,-15.31,;-2.87,-13,;-1.54,-13.77,;-1.55,-9.16,;-2.88,-8.39,;-.21,-8.39,;-.2,-6.85,;1.13,-9.16,)|
CC(C)C=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC(C)C)c4c(O)c3=C)c(=C)c(O)c12 |w:3.2,24.24,(18.99,-45.93,;18.99,-44.39,;17.66,-43.62,;20.32,-43.62,;20.33,-42.08,;18.99,-41.31,;17.66,-42.08,;18.99,-39.76,;17.66,-39,;20.33,-38.98,;21.67,-39.76,;23,-38.98,;23,-37.44,;24.34,-39.76,;25.68,-38.99,;27.01,-39.77,;27.01,-41.31,;28.33,-39.01,;29.66,-39.79,;31.01,-39.04,;32.33,-39.82,;31.02,-37.49,;32.36,-36.73,;29.69,-36.7,;29.7,-35.16,;31.04,-34.4,;31.05,-32.86,;32.37,-35.18,;28.35,-37.46,;27.01,-36.69,;27.02,-35.15,;25.67,-37.46,;24.34,-36.69,;24.35,-41.31,;25.68,-42.08,;23,-42.08,;23,-43.62,;21.67,-41.31,)|
Cc1ccc(CC=c2c(O)c(O)cc3c(O)c(-c4c(O)c5cc(O)c(O)c(=CCc6ccc(C)cc6)c5c(O)c4=C)c(=C)c(O)c23)cc1 |w:27.27,6.5,(2.55,-7.81,;2.53,-9.35,;3.86,-10.13,;3.85,-11.67,;2.51,-12.42,;2.49,-13.96,;1.15,-14.72,;1.14,-16.26,;2.47,-17.05,;3.81,-16.3,;2.46,-18.6,;3.78,-19.38,;1.11,-19.35,;-.21,-18.57,;-1.54,-19.33,;-1.54,-20.87,;-2.87,-18.56,;-4.2,-19.32,;-5.55,-18.54,;-5.55,-17.01,;-6.88,-19.33,;-8.22,-18.55,;-9.56,-19.33,;-10.89,-18.56,;-9.56,-20.87,;-10.89,-21.64,;-8.22,-21.64,;-8.22,-23.18,;-9.56,-23.95,;-9.56,-25.49,;-10.9,-26.25,;-10.9,-27.79,;-9.57,-28.56,;-9.57,-30.1,;-8.23,-27.79,;-8.23,-26.25,;-6.88,-20.87,;-5.54,-21.64,;-5.54,-23.18,;-4.2,-20.87,;-2.87,-21.64,;-2.87,-17.02,;-4.21,-16.25,;-1.53,-16.25,;-1.53,-14.71,;-.2,-17.03,;1.18,-11.65,;1.19,-10.11,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC5CCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CC2CCCC2)c1O |w:34.38,17.17,(-10.24,1.31,;-8.91,.55,;-7.57,1.33,;-6.23,.55,;-4.9,1.33,;-4.9,2.87,;-3.55,.55,;-2.22,1.32,;-.89,.54,;-.89,-1,;.44,1.3,;1.76,.52,;3.11,1.27,;4.43,.49,;3.12,2.82,;4.47,3.58,;1.79,3.61,;1.8,5.15,;3.14,5.91,;4.38,5,;5.63,5.9,;5.16,7.36,;3.62,7.37,;.45,2.85,;-.88,3.62,;-.88,5.16,;-2.22,2.85,;-3.56,3.62,;-3.55,-1,;-2.22,-1.77,;-4.89,-1.77,;-4.89,-3.31,;-6.23,-1,;-7.57,-1.77,;-7.57,-3.31,;-8.91,-4.08,;-10.18,-3.19,;-11.41,-4.12,;-10.91,-5.57,;-9.37,-5.55,;-8.91,-1,;-10.24,-1.77,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCC5CCCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CCC2CCCCC2)c1O |w:36.40,17.17,(6.04,-1.44,;7.37,-2.21,;8.7,-1.43,;10.04,-2.21,;11.38,-1.43,;11.37,.11,;12.72,-2.2,;14.05,-1.44,;15.39,-2.21,;15.38,-3.75,;16.71,-1.45,;18.03,-2.23,;19.38,-1.48,;20.7,-2.26,;19.39,.07,;20.73,.82,;18.06,.86,;18.07,2.4,;19.41,3.15,;19.42,4.69,;20.78,5.44,;20.79,6.98,;19.47,7.76,;18.13,7.01,;18.11,5.47,;16.72,.09,;15.39,.87,;15.39,2.4,;14.05,.1,;12.72,.87,;12.72,-3.75,;14.05,-4.52,;11.38,-4.52,;11.38,-6.06,;10.05,-3.75,;8.7,-4.52,;8.7,-6.06,;7.36,-6.83,;7.36,-8.37,;6.03,-9.13,;6.02,-10.66,;7.35,-11.44,;8.69,-10.68,;8.7,-9.13,;7.37,-3.75,;6.04,-4.52,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)|
Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)|
CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O |c:27,t:1|
CC(CNC(=O)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)NCC(C)c2ccccc2)C1=O)c1ccccc1 |c:23,t:15|
CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1 |c:28,t:20|
O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
O=c1nc2c3cccc4c(Oc5ccc(cc5)-c5ccccc5)ccc(c2c1C#N)c34
COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CCC(C)(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Cc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
O=c1nc2c3cccc4c(Sc5ccc(cc5)-c5ccccc5)ccc(c2c1C#N)c34
COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CC(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CN(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CCC(C)(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)S(=O)(=O)C(F)(F)F)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:51|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:47|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Cc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Cc1cccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)c1
COc1ccccc1Oc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
COc1cccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)c1
CCC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccc(cc1)-c1ccccc1
O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
O=C(NS(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccccc1-c1ccccc1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)-c1ccccc1
Fc1ccc(cc1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
O=C(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
FC(F)(F)c1ccc(cc1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Clc1ccc(c(Cl)c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(COc2ccccc2)cc1
O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(c1)-c1ccccc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)nc1
Clc1cccc(c1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1ccc(c(Cl)c1)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1OC)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
CCCCOc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1
COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)-c1cccc(c1)C(=O)NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
[O-][N+](=O)c1cccc(Cl)c1Oc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
FC(F)(F)c1cc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Fc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
CC(C)C[C@H](NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1 |r|
COc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1 |r|
Clc1ccc(cc1)-c1ccc(Cn2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c3ccccc23)cc1 |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc12 |r|
CC(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
CC(C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Cc1cc(OCCCn2c(cc3ccc(OCc4ccccc4C(O)=O)cc23)C(=O)N2CCCCC2)cc(C)c1Cl
CN(C)C(=O)c1cc2ccc(OCc3ccccc3C(O)=O)cc2n1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCn2c(cc3ccc(OCc4ccccc4C(O)=O)cc23)C(N)=O)cc(C)c1Cl
Cc1cc(OCCCn2ccc3c(OCc4cccc(c4)C(O)=O)cccc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3c(OCc4ccccc4C(O)=O)cccc23)cc(C)c1Cl
CC(C)(C)c1ccc(OCCCn2ccc3cc(OCc4cccc(c4)C(O)=O)ccc23)cc1
Cc1cc(OCCCn2ccc3cc(OCc4cccc(c4)C(O)=O)ccc23)cc(C)c1Cl
CC(C)(C)c1ccc(OCCCn2ccc3cc(OCc4ccccc4C(O)=O)ccc23)cc1
Cc1cc(OCCCn2ccc3ccc(OCc4ccc(cc4)C(O)=O)cc23)cc(C)c1Cl
COc1ccc(OCCCn2c(cc3ccc(OCC(O)=O)cc23)C(N)=O)cc1
Cc1cc(OCCCn2ccc3ccc(OCc4ccccc4C(O)=O)cc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3ccccc23)cc(C)c1Cl
Cc1ccc2ccn(CCCOc3cc(C)c(Cl)c(C)c3)c2c1
CCOC(=O)c1ccc2ccn(CCCOc3cc(C)c(Cl)c(C)c3)c2c1
Cc1cc(OCCCn2ccc3ccc(OCCO)cc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3ccc(OCCCC(O)=O)cc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3cc(OCC(O)=O)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3c(OCC(O)=O)cccc23)cc(C)c1Cl
CC(C)(C)c1ccc(SCCCn2ccc3ccc(OCC(O)=O)cc23)cc1
Cc1cc(OCCn2ccc3ccc(OCC(O)=O)cc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3ccc(OCC(O)=O)cc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3ccc(OCC(O)=O)cc23)ccc1Cl
OC(=O)COc1ccc2ccn(CCCOc3ccc(Cl)cc3)c2c1
Cc1cccc(OCCCn2ccc3ccc(OCC(O)=O)cc23)c1
OC(=O)COc1ccc2ccn(CCCOc3ccccc3)c2c1
OC(=O)COc1ccc2ccn(CCCOc3cccc4ccccc34)c2c1
CC(C)(C)Oc1ccc(OCCCn2ccc3ccc(OCC(O)=O)cc23)cc1
COc1ccc(OCCCn2ccc3ccc(OCC(O)=O)cc23)cc1
NC(=O)c1cc2ccc(OCC(O)=O)cc2n1CCCOc1ccc(Oc2ccccc2)cc1
Cc1cc(OCCCn2ccc3ccc(cc23)C(O)=O)cc(C)c1Cl
CCOC(=O)COc1ccc2ccn(CCCOc3cc(C)c(Cl)c(C)c3)c2c1
CC(C)(C)c1ccc(OCCn2ccc3ccc(OCC(O)=O)cc23)cc1
Cc1cc(C)cc(OCCCn2ccc3ccc(OCC(O)=O)cc23)c1
OC(=O)COc1ccc2ccn(CCCOc3ccc(Oc4ccccc4)cc3)c2c1
NC(=O)c1cc2ccc(OCC(O)=O)cc2n1CCCOc1cccc2ccccc12
CC(C)(C)Oc1ccc(OCCCn2c(cc3ccc(OCC(O)=O)cc23)C(N)=O)cc1
Cc1cc(OCCCn2ccc3ccc(OCc4cccc(c4)C(O)=O)cc23)cc(C)c1Cl
CC(C)(C)c1ccc(OCCCn2c(cc3ccc(OCc4ccccc4C(O)=O)cc23)C(=O)N2CCCCC2)cc1
CNC(=O)c1cc2ccc(OCc3ccccc3C(O)=O)cc2n1CCCOc1cc(C)c(Cl)c(C)c1
Cc1cc(OCCCn2ccc3cc(OCc4ccc(cc4)C(O)=O)ccc23)cc(C)c1Cl
Cc1cc(OCCCn2ccc3cc(OCc4ccccc4C(O)=O)ccc23)cc(C)c1Cl
CC1NN(C)C(C)=C1c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)ccc12)C(O)=O |c:6|
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(O)=O |(25.12,-5.86,;26.58,-5.38,;27.05,-3.91,;28.59,-3.91,;29.49,-2.66,;29.07,-5.37,;30.54,-5.84,;27.83,-6.28,;27.84,-7.82,;26.51,-8.59,;26.51,-10.13,;27.84,-10.9,;29.18,-10.12,;30.65,-10.59,;31.14,-12.05,;30.12,-13.2,;30.6,-14.66,;29.58,-15.81,;30.06,-17.28,;29.03,-18.42,;29.52,-19.88,;28.49,-21.03,;31.03,-20.2,;31.51,-21.66,;32.05,-19.04,;33.56,-19.34,;31.56,-17.58,;31.55,-9.34,;30.64,-8.09,;29.18,-8.58,;33.09,-9.33,;33.86,-7.99,;33.87,-10.66,)|
CN(C)CCOCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(O)=O |(38.45,-25.57,;37.31,-26.61,;37.63,-28.11,;35.84,-26.13,;34.7,-27.17,;33.24,-26.7,;32.09,-27.73,;30.63,-27.26,;30.15,-25.8,;28.61,-25.8,;27.7,-24.56,;28.14,-27.27,;26.67,-27.75,;29.39,-28.17,;29.4,-29.7,;28.07,-30.47,;28.06,-32.02,;29.4,-32.79,;30.74,-32.01,;32.21,-32.48,;32.69,-33.94,;31.67,-35.09,;32.16,-36.55,;31.13,-37.7,;31.62,-39.16,;30.59,-40.31,;31.07,-41.77,;30.05,-42.92,;32.58,-42.08,;33.07,-43.54,;33.61,-40.92,;35.12,-41.23,;33.12,-39.47,;33.11,-31.22,;32.2,-29.98,;30.73,-30.47,;34.65,-31.21,;35.41,-29.88,;35.43,-32.54,)|
Cc1c(c(CN2CCCCC2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(O)=O |(7.32,-26.12,;8.79,-25.64,;10.03,-26.54,;11.28,-25.63,;12.74,-26.1,;13.88,-25.07,;15.35,-25.55,;16.49,-24.52,;16.17,-23.01,;14.7,-22.54,;13.55,-23.57,;10.8,-24.17,;9.26,-24.17,;8.35,-22.93,;10.04,-28.08,;8.72,-28.85,;8.71,-30.39,;10.05,-31.16,;11.39,-30.38,;12.86,-30.85,;13.34,-32.31,;12.32,-33.46,;12.8,-34.92,;11.78,-36.08,;12.26,-37.54,;11.24,-38.68,;11.72,-40.14,;10.7,-41.29,;13.23,-40.46,;13.72,-41.92,;14.26,-39.3,;15.77,-39.6,;13.77,-37.84,;13.76,-29.6,;12.84,-28.36,;11.38,-28.84,;15.3,-29.59,;16.06,-28.25,;16.08,-30.92,)|
COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12 |r|
COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
CC(C)c1cc(C(=O)c2ccccc2)c(O)c(O)c1O
Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1
Oc1c(O)c(cc(C(=O)c2cccc3ccccc23)c1O)C(=O)c1ccc(Oc2ccccc2)cc1
CC(C)C(=O)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|
CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1cc(OC)cc(OC)c1
CC(C)Cc1cc(ccc1OCC([O-])=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC([O-])=O)cc1CC(C)C
CC(C)Oc1cc(ccc1N)C(=O)Nc1ccc(nc1OC(C)C)C(=O)Nc1ccc(cc1OC(C)C)C(O)=O
Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)c(O)c1
CN1CCN(CCCNC(=O)c2c(c(cn2CC[C@H](O)CO)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCNCC1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
CCOC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r|
CCc1c(c(c(C(O)=O)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C2CC2)c1-c1ccc(Cl)cc1 |r|
CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2ccccc2)-c2ccc(Cl)cc2)CC1
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cc(C)n(C)c1-c1ccc(Cl)cc1 |r|
CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O |r,c:70,73,75,147,149,175,188,t:67,145,170,172,183,185|
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(O)=O |r,c:69,111,114,116,149,151,182,184,t:64,66,108,147,180|
CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(nc2c1)N1CCOCC1
CCCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C
CC(C)c1cc(cc2nc(ccc12)N1CCCC1)-c1cc2ccccc2nc1N1CCCC1
CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCCC1)C(C)C
Oc1cc2C(=O)c3ccc(Sc4ccc(Br)cc4)cc3C(=O)c2cc1O
Cc1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Oc1cc2C(=O)c3ccc(Sc4ccccc4)cc3C(=O)c2cc1O
CC(C)c1ccc(Sc2ccc3C(=O)c4cc(O)c(O)cc4C(=O)c3c2)cc1
Oc1cc2C(=O)c3ccc(Br)cc3C(=O)c2cc1O
Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O
Oc1cc2C(=O)c3ccccc3C(=O)c2cc1O
Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1
Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Cc1c(c(COc2ccc(B(O)O)c(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,)|
CC(=O)c1cc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)ccc1B(O)O |(-13.02,-2.49,;-11.53,-2.88,;-12.16,-4.44,;-10.2,-2.11,;-8.87,-2.88,;-7.53,-2.11,;-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;.05,-1.8,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,)|
Cc1c(c(COc2cccc(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,)|
CC(=O)c1cccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)c1 |(-12.87,-2.11,;-11.53,-2.88,;-12.01,-4.36,;-10.2,-2.11,;-10.2,-.57,;-8.87,.2,;-7.53,-.57,;-7.53,-2.11,;-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;.05,-1.8,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,;-8.87,-2.88,)|
Cc1c(c(COc2ccc(cc2)B(O)O)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(37.85,-60.07,;36.38,-60.54,;35.13,-59.63,;33.89,-60.54,;32.56,-59.77,;31.23,-60.55,;29.89,-59.78,;28.55,-60.55,;27.22,-59.78,;27.22,-58.23,;28.55,-57.46,;29.88,-58.23,;25.89,-57.46,;25.89,-55.92,;24.55,-58.24,;34.36,-62.01,;35.9,-62.01,;36.81,-63.25,;35.13,-58.1,;33.8,-57.33,;33.79,-55.8,;35.12,-55.02,;36.46,-55.79,;37.92,-55.31,;37.9,-53.77,;39.23,-52.99,;39.22,-51.45,;40.54,-50.67,;40.53,-49.13,;39.19,-48.37,;39.17,-46.84,;40.51,-46.05,;41.85,-46.81,;43.16,-46.03,;44.5,-46.78,;44.52,-48.32,;43.19,-49.1,;41.86,-48.35,;38.82,-56.55,;37.92,-57.79,;36.46,-57.32,;40.36,-56.54,;41.13,-57.88,;41.13,-55.21,)|
Cc1c(c(COc2ccccc2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-10.2,-2.11,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,)|
Cc1c(c(COc2ccc(B(O)O)c(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(C)c12 |(.34,-2.6,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;2.77,.94,;3.86,-.15,;3.86,2.02,;.32,-.31,;1.22,-1.52,;-1.14,.17,)|
CCc1nn(C)c(CC)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;-.02,-2.6,;.3,-4.24,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;2.77,.94,;3.86,-.15,;3.86,2.02,;.32,-.31,;1.22,-1.52,;2.76,-1.52,;3.16,-3.01,;1.82,-3.78,;1.82,-5.32,;3.16,-6.09,;4.49,-5.32,;4.49,-3.78,;-1.14,.17,)|
Cc1ccc(cc1)S(=O)(=O)\N=C1/C=C(Sc2nc[nH]n2)C(=O)c2ccccc12 |t:13|
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |r,wD:21.21,(19.44,-4.89,;18.41,-6.03,;18.89,-7.5,;17.87,-8.64,;16.35,-8.32,;15.33,-9.47,;15.81,-10.94,;14.78,-12.09,;15.27,-13.55,;16.78,-13.86,;17.26,-15.32,;16.23,-16.47,;16.71,-17.93,;15.81,-19.18,;16.72,-20.42,;18.18,-19.94,;19.51,-20.71,;20.85,-19.94,;20.85,-18.39,;19.51,-17.62,;19.51,-16.08,;20.84,-15.31,;20.83,-13.77,;22.16,-13,;23.49,-13.77,;24.82,-12.99,;24.82,-11.45,;23.47,-10.69,;22.15,-11.46,;20.81,-10.71,;20.79,-9.17,;22.12,-8.38,;23.53,-9,;24.55,-7.84,;23.76,-6.51,;22.26,-6.85,;21.1,-5.83,;21.09,-4.29,;22.42,-3.51,;19.76,-3.52,;21.09,-2.75,;22.17,-16.08,;23.5,-15.3,;22.18,-17.62,;18.17,-18.4,;14.27,-19.19,;13.36,-17.95,;11.89,-18.43,;11.9,-19.97,;10.66,-20.88,;13.37,-20.44,;14.73,-16.16,;13.7,-17.31,;14.24,-14.71,;12.73,-14.4,;15.87,-6.87,;16.9,-5.72,)|
COc1cc(NC(=O)CCC(=O)N2CCN(Cc3cccc(c3)-c3ccc(Cl)cc3)CC2)cc(OC)c1OC
Cc1cc(Oc2ccc(C(O)=O)c(OCc3ccccc3)n2)cc(C)c1Cl
CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C
CC(C)c1cc2cc(c(O)c(C=O)c2c(O)c1O)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(4.39,-16.38,;5.72,-15.61,;7.06,-16.39,;5.72,-14.07,;7.06,-13.3,;7.05,-11.76,;8.37,-10.99,;8.37,-9.46,;7.03,-8.69,;7.03,-7.15,;5.72,-9.46,;4.38,-8.7,;4.37,-7.16,;5.72,-10.99,;4.39,-11.76,;3.06,-10.99,;4.39,-13.3,;3.06,-14.07,;9.7,-8.67,;11.04,-9.43,;11.05,-10.97,;12.37,-8.65,;12.35,-7.11,;13.67,-6.33,;15.01,-7.08,;15.03,-8.62,;16.34,-6.3,;13.66,-4.78,;14.98,-4,;12.3,-4.03,;12.28,-2.49,;10.98,-4.82,;9.64,-4.07,;9.62,-2.53,;11,-6.35,;9.68,-7.14,;8.34,-6.39,)|
COc1cc(CC(=O)NCc2ccc(cc2)C(=O)N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc(OC)c1OC
OC(=O)CSc1ccc(C(=O)c2cc(Cl)c(Cl)n2-c2c(Cl)c(Cl)[nH]c2C(=O)c2ccc(SCC(O)=O)cc2O)c(O)c1 |(-5.34,2.77,;-5.34,1.53,;-6.41,.92,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;1.42,-3.96,;1.89,-5.43,;1.16,-6.42,;3.43,-5.43,;4.15,-6.43,;3.91,-3.97,;5.37,-3.49,;5.94,-2.08,;5.29,-1.03,;7.47,-2.2,;8.28,-1.27,;7.83,-3.7,;6.52,-4.5,;6.38,-6.04,;5.27,-6.56,;7.64,-6.92,;9.04,-6.27,;10.3,-7.15,;10.17,-8.68,;11.43,-9.57,;11.3,-11.1,;12.56,-11.99,;13.67,-11.47,;12.45,-13.21,;8.77,-9.34,;7.51,-8.45,;6.4,-8.98,;1.33,.77,;2.4,1.39,;,1.54,)|
OC(=O)CCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 |c:6|
OC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)C(CCCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1 |(.79,-3.59,;2.26,-3.11,;2.73,-1.65,;4.27,-1.65,;5.18,-.4,;4.75,-3.11,;6.22,-3.59,;3.51,-4.02,;3.51,-5.56,;2.19,-6.34,;.85,-5.57,;2.19,-7.88,;3.51,-8.64,;4.85,-7.87,;6.31,-8.34,;7.07,-9.67,;6.3,-11,;7.06,-12.34,;6.28,-13.67,;7.04,-15.01,;8.58,-15.01,;9.34,-16.34,;10.88,-16.34,;8.57,-17.68,;9.33,-19.02,;7.02,-17.67,;6.24,-19,;6.26,-16.33,;7.21,-7.09,;8.75,-7.15,;9.36,-8.57,;9.76,-5.98,;9.46,-4.47,;8.11,-3.75,;6.7,-4.37,;6.3,-5.86,;4.84,-6.34,;11.24,-6.38,;12.32,-5.29,;13.81,-5.69,;14.9,-4.6,;16.39,-5.01,;14.51,-3.12,;14.21,-7.18,;15.58,-7.88,;15.34,-9.4,;13.82,-9.64,;13.13,-11.01,;13.12,-8.27,;11.64,-7.87,)|
O=c1nc2c3cccc4c(ccc(c2c1NCCCCCc1ccccc1)c34)N1CCSCC1
O=c1nc2c3cccc4c(ccc(c2c1NCc1ccccc1)c34)N1CCSCC1
CC(C)Nc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
CCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
CCCOC(=O)c1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
CCOC(=O)c1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
NC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
OC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
Cc1cc(OCCCn2c(cc3ccccc23)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCn2c(cc3ccccc23)C(O)=O)ccc1Cl
OC(=O)c1oc2ccc(Cl)cc2c1CCCOc1cccc2ccccc12
OC(=O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1
Cn1c(C(O)=O)c(CCCOc2cccc3ccccc23)c2ccccc12
Cc1cc(OCCCc2c(C(O)=O)n(C)c3ccccc23)cc(C)c1Cl
OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCCc12
OC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)ccc1Cl
OC(=O)c1[nH]c2cccc(Cl)c2c1CCCOc1cccc2ccccc12
Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)cc(C)c1Cl
Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(O)=O)ccc1Cl
OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2[nH]ccc12
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2ncccc2c1
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2CCCc2c1
OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCCc12
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)c2ccccc12
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Oc2ccccc2)cc1
OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(Oc2ccccc2)c1
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(cc1)-c1ccccc1
OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(c1)-c1ccccc1
Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc(C)c1Cl
CCc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl
Cc1cc(OCCCc2c([nH]c3ccccc23)C(O)=O)ccc1Cl
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(cc1)C(F)(F)F
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)cc1
Cc1ccc(OCCCc2c([nH]c3ccccc23)C(O)=O)cc1
OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(c1)C(F)(F)F
Cc1cccc(OCCCc2c([nH]c3ccccc23)C(O)=O)c1
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccccc1C(F)(F)F
Cc1ccccc1OCCCc1c([nH]c2ccccc12)C(O)=O
OC(=O)c1[nH]c2ccccc2c1CCCOc1ccccc1
C(Sc1nnc[nH]1)c1cccc2ccccc12
Cc1cc(OCCC(O)=O)cc(C)c1Cl
Cc1cc(OCC(O)=O)ccc1Cl
Cc1cccc2c(c([nH]c12)C(O)=O)-c1ccccc1
Cn1c2ccc(cc2cc1C(=O)O)Br
Cn1c(cc2ccccc12)C(O)=O
OC(=O)c1cc2c(Br)cc(Cl)cc2o1
Cc1c(oc2c(C)c(C)ccc12)C(O)=O
Cc1c(oc2c(C)cccc12)C(O)=O
Cc1c(oc2cc(Cl)ccc12)C(O)=O
Cc1c(oc2ccc(Cl)cc12)C(O)=O
c1ccc2c(c1)cc(o2)C(=O)O
Cc1ccc2c(Cl)c(sc2c1)C(O)=O
c1cc2c(cc1Cl)sc(c2Cl)C(=O)O
OC(=O)c1sc2cccc(Cl)c2c1Cl
OC(=O)c1sc2ccccc2c1Cl
CC(C)c1ccc(Sc2cc(C#N)c(=O)n(Cc3ccccc3)c2)cc1
Nc1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1
Brc1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1
CCC(C)(C)c1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1
CC(C)c1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1
Cc1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1
O=c1[nH]cc(Sc2ccccc2)cc1C#N
O=c1[nH]cc(cc1C#N)-c1ccc(cc1)-c1ccccc1
Clc1ccc(cc1)-c1c[nH]c(=O)c(c1)C#N
O=c1[nH]cc(cc1C#N)-c1cccc2ccccc12
O=c1[nH]cc(cc1C#N)-c1ccccc1
O=c1[nH]cccc1C#N
O=c1c2cccc3cccc(c23)c1=O
O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23
CC(C)c1ccc(Sc2c[nH]c(=O)c(c2)C(=O)NCc2ccccc2)cc1
CC(C)c1ccc(Sc2c[nH]c(=O)c(c2)C(=O)NCCCc2ccccc2)cc1
CCCCNC(=O)c1cc(Sc2ccc(cc2)C(C)C)c[nH]c1=O
CC(C)NC(=O)c1cc(Sc2ccc(cc2)C(C)C)c[nH]c1=O
CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
[#6]-[#6]C([#6])([#6])c1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
[#6]-[#6](-[#6])-c1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
[#6]-[#8]-c1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
Clc1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
O=C(NCc1ccccc1)C(=C\C=C\c1ccccc1)\C#N
O=C(CC#N)NCc1ccccc1
CCCNC(=O)CC#N
CCNC(=O)CC#N
CNC(=O)CC#N
NC(=O)C(=C\C=C\c1ccccc1)\C#N
NC(=O)C(=C\c1ccccc1)\C#N
C(C#N)C(=O)N
C1CSCCN1
O=c1nc2c3cccc4cccc(c2c1C#N)c34
Cc1c(cccc1-c1ccc(CN=Nc2nc3ccccc3s2)o1)C(O)=O |w:13.14|
Oc1cc(C(=O)NCCCc2ccccc2)c(NC(=O)c2ccccc2)c(O)c1O
Oc1cc(C(=O)NCc2ccccc2)c(NC(=O)c2ccccc2)c(O)c1O
CCCCNC(=O)c1cc(O)c(O)c(O)c1NC(=O)c1ccccc1
CC(C)c1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1
Cc1ccc(O)c(Cn2c(nc3c(O)c(O)c(O)cc3c2=O)-c2ccccc2)c1
Oc1cc2c(nc(-c3ccccc3)n(Cc3ccccc3)c2=O)c(O)c1O
Oc1cc2c(nc[nH]c2=O)c(O)c1O
CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O
Cc1ccnc(NC(c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2O)c1
c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl
COc1ccc(cc1)C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
COc1ccc(cc1OC)C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1cccc(c1)C(F)(F)F
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccccc1F
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r,wU:5.14,(37.04,-56.68,;38.37,-57.46,;38.38,-58.99,;39.71,-56.69,;39.71,-55.15,;41.04,-54.38,;42.38,-55.15,;42.38,-56.69,;43.71,-57.46,;43.7,-59,;45.03,-59.77,;46.37,-59,;46.36,-57.45,;45.03,-56.69,;41.05,-52.84,;39.71,-52.07,;38.38,-52.83,;37.05,-52.06,;37.06,-50.53,;38.38,-49.75,;39.71,-50.52,;41.05,-49.74,;42.39,-50.51,;41.05,-48.2,;35.72,-49.75,;34.18,-49.75,;34.95,-51.08,;35.73,-48.21,;34.39,-47.44,;33.06,-48.21,;34.39,-45.9,;35.73,-45.12,;35.72,-43.59,;37.05,-42.81,;34.39,-42.82,;33.05,-43.59,;31.72,-42.82,;33.05,-45.13,;34.39,-41.29,;33.05,-40.51,;33.06,-38.97,;34.38,-38.2,;35.72,-38.96,;37.2,-38.48,;37.67,-37.02,;36.64,-35.87,;37.12,-34.41,;36.08,-33.27,;36.56,-31.8,;35.53,-30.67,;36,-29.2,;37.51,-28.88,;38.54,-30.02,;40.04,-29.7,;41.06,-30.84,;40.59,-32.31,;39.09,-32.62,;38.06,-31.48,;38.11,-39.74,;37.2,-40.99,;35.72,-40.51,;39.65,-39.74,;40.42,-41.07,;40.42,-38.4,)|
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r|
Cc1cc(ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r|
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccccc1 |r|
CC(C)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |t:36|
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(O)=O)C1)c1ccc(Cl)cc1 |t:5|
OC(=O)c1nn2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccc(cc1)C(O)=O
OC(=O)c1cc(ccc1O)-c1ccccc1COc1cccc2ccccc12
OC(=O)c1cc(ccc1O)-c1ccccc1COc1cccc(c1)C(F)(F)F
OC(=O)c1cc(ccc1O)-c1ccccc1OCc1ccccc1Cl
OC(=O)c1cc(ccc1O)-c1ccccc1OCc1ccccc1
CC(C)(C)OCc1ccccc1-c1ccc(O)c(c1)C(O)=O
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccc(O)c(c1)C(O)=O
CCCCOc1ccc(F)c(c1)-c1ccc(O)c(c1)C(O)=O
OC(=O)c1cc(ccc1O)-c1ccc(OCc2ccccc2)cc1
CCCc1ccc(cc1)-c1ccc(O)c(c1)C(O)=O
Cc1ccc(cc1C)-c1ccc(O)c(c1)C(O)=O
Cc1ccccc1-c1ccc(O)c(c1)C(O)=O
OC(=O)c1cc(ccc1O)-c1ccc2ncccc2c1
OC(=O)c1cc(ccc1O)-c1cccc2ccccc12
OC(=O)c1cc(ccc1O)-c1ccccc1
CS(=O)(=O)Nc1ccccc1-c1ccc(O)c(c1)C(O)=O
Cc1ccc(cc1)-c1ccc(O)c(c1)C(O)=O
Nc1cccc(c1)-c1ccc(O)c(c1)C(O)=O
Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(OCCn4cccn4)cc3)c2)c2ccccc12
Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(OCCCN4CCOCC4)cc3)c2)c2ccccc12
CN(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(cc3)N3CCOCC3)c2)c2ccccc12
CC(C)CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3cccc(c3)N3CCOCC3)c2)c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)c2ccccc12
CCC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C(O)=O)-c1ccc(C)c2ccccc12
Cc1ccc(-c2ccc(C(O)=O)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc12
OC(=O)c1ccc(cc1NS(=O)(=O)c1ccccc1)-c1cccc2ccccc12
Cc1cccc(c1)-c1ccc(C(O)=O)c(NS(=O)(=O)c2ccccc2)c1
Cc1ccc(cc1)-c1ccc(C(O)=O)c(NS(=O)(=O)c2ccccc2)c1
OC(=O)c1ccc(cc1NS(=O)(=O)c1ccccc1)-c1cccc2ncccc12
CCOC(=O)c1ccc(C=C)cc1NS(=O)(=O)c1ccccc1
CN(C)c1cccc2ccc(O)cc12
O=c1[nH]c2c(ccc3ccccc23)o1
FC(F)(F)c1cccc(c1)-c1cc(=O)[nH][nH]1
CSc1ccc(c(c1)C(=O)O)O
C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O
CC(C)C[C@H](N1C(=O)S\C(=C/c2cccc(Br)c2)C1=O)C(O)=O |r|
Cc1cc(Oc2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc2)cc(C)c1Cl
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)c(Br)c2)C1=O)C(O)=O |r|
Cc1cc(Oc2ccc(CC3SC(=O)N(CC(O)=O)C3=O)cc2)cc(C)c1Cl
CC(C)[C@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O)C(O)=O |r|
C[C@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O)C(O)=O |r|
CC(C)(C)c1ccc(\C=C2/SC(=O)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cc1 |r|
OC(=O)[C@H](Cc1ccccc1)N1C(=O)S\C(=C/c2cccc(Br)c2)C1=O |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O)C(O)=O |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(O)cc2)C1=O)C(O)=O |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O |r|
Cc1cc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)cc(C)c1Cl
COC(=O)[C@H](CC(C)C)N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O |r|
Cc1cc(Oc2ccc(\C=C3/SC(=O)N([C@H](Cc4ccccc4)C(O)=O)C3=O)cc2)cc(C)c1Cl |r|
C[C@@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O)C(O)=O |r|
Cc1cc(Oc2ccc(\C=C3/SC(=O)N([C@@H](Cc4ccccc4)C(O)=O)C3=O)cc2)cc(C)c1Cl |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccccc2)C1=O)C(O)=O |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O)C(O)=O |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(cc2)C(C)(C)C)C1=O)C(O)=O |r|
CC(C)C[C@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O)C(N)=O |r|
CC(C)C[C@@H](N1C(=O)S\C(=C/c2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)C1=O)C(O)=O |r|
CC(C)Oc1ccc(cc1)-c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccccc1)-c1ccc(Br)cc1
OC(=O)c1cc(cc(n1)-c1ccc(OCc2ccccc2)cc1)-c1ccc(OCc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccc(Br)cc1)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccccc1Br)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccc2OCOc2c1)-c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)-c1cc(cc(n1)C(O)=O)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccc2OCOc2c1)-c1ccc(Br)cc1
OC(=O)c1cc(cc(n1)-c1ccc(Cl)cc1)-c1ccc(Br)cc1
OC(=O)c1cc(cc(n1)-c1ccc(Br)cc1)-c1ccc(Br)cc1
CC(C)Oc1ccc(cc1)-c1cc(nc(c1)-c1ccc(OC(C)C)cc1OC(C)C)C(O)=O
OC(=O)c1cc(cc(n1)-c1ccc(OCc2ccccc2)cc1)-c1ccc(Br)cc1
CC(C)Oc1ccc(cc1)-c1cc(nc(c1)-c1ccc(OC(C)C)cc1)C(O)=O
COc1ccc(cc1)-c1cc(cc(n1)C(O)=O)-c1ccc(Br)cc1
OC(=O)c1cc(nc(c1)-c1ccc(Oc2ccccc2)cc1)-c1ccc(Br)cc1
OC(=O)c1cc(cc(n1)-c1cccc(Br)c1)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccccc1)-c1ccc(Oc2ccccc2)cc1
CC(C)Oc1ccc(cc1)-c1cc(nc(c1)-c1ccc(OCc2ccccc2)cc1)C(O)=O
OC(=O)c1cc(cc(n1)-c1ccc(cc1)[N+]([O-])=O)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(cc(n1)-c1ccc(OCc2ccccc2)cc1)-c1ccc(Oc2ccccc2)cc1
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C)c(O)c(O)c(C=O)c2c1O |(62.21,-32.74,;60.88,-33.53,;59.54,-32.77,;60.9,-35.07,;62.23,-35.82,;63.56,-35.04,;62.25,-37.36,;63.59,-38.12,;60.92,-38.14,;60.93,-39.68,;62.27,-40.44,;59.59,-37.38,;58.26,-38.16,;58.27,-39.7,;56.92,-37.39,;56.91,-35.86,;55.57,-35.1,;58.23,-35.08,;59.58,-35.84,;55.6,-38.17,;55.61,-39.72,;56.95,-40.48,;54.27,-40.49,;52.94,-39.73,;51.61,-40.5,;51.61,-42.04,;50.27,-39.73,;48.94,-40.5,;50.27,-38.19,;48.94,-37.42,;51.6,-37.42,;51.6,-35.88,;52.93,-35.1,;52.94,-38.18,;54.26,-37.41,;54.26,-35.87,)|
Cc1ccc(CC(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(NCCCc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)-c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O |r|
Cc1ccc(CC(=O)N[C@@H](Cc2ccc(OCc3ccc(cc3)-c3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(NCCCc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r|
Oc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1Br
Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)cc1Br
Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)cc(Br)c1Br
Oc1c(Br)c(Br)cc(Br)c1Oc1ccc(Br)cc1Br
Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Oc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br
COc1c(Br)c(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1O
Oc1cc(Br)c(Br)c(Br)c1Oc1cc(Br)cc(Br)c1O
Oc1c(Br)cc(Br)cc1Oc1cc(Br)c(Br)c(Br)c1O
CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(cc1)-c1ccccc1)C(O)=O |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(Br)cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(cc1)-c1ccccc1)C(O)=O |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@H](C(O)=O)c1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@H](C(O)=O)c1ccccc1)Oc1ccc(Br)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)NCC(O)=O)Oc1ccc(Br)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)Oc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)Oc1ccc(Br)cc1)C(O)=O |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)Oc1ccc(Br)cc1 |r|
Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)NCC(O)=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r|
CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O
CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O
CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O
COC(=O)c1nn(c(c1NC(=O)c1ccc(OC(C)C)cc1)-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1
CC(C)c1ccc(cc1)-n1nc(cc1-c1ccc(OCc2ccccc2)cc1)C(O)=O
CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O
CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(cc2)C(C)(C)C)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O
CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O
CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O
CC(C)COc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O
CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O
Cc1ccc(cc1)\N=c1/c2ccc(C)cc2n(C(=O)c2ccc(cc2)C(C)(C)C)c2c(O)c(O)c(O)cc12
CC(C)c1ccc2c(c1)n(C(=O)c1ccc(cc1)C(C)(C)C)c1c(O)c(O)c(O)cc1\c2=N\c1ccc(Oc2ccccc2)cc1
OC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n(n1)-c1ccccc1
CCOc1ccc(cc1)-c1c(NC(=O)c2ccccc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O
CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC
CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(cc1)C(C)C)C(O)=O
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O
CC(C)COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O
CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(C)C)C(O)=O
OC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1
COC(=O)CCCCC(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(C1=O)c23
Brc1ccc(Sc2ccc3C(NCCC(=O)NCCCCCC(=O)NCCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)=C(C#N)C(=O)c4cccc2c34)cc1 |t:53|
COC(=O)CCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 |c:7|
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)CCCCC(=O)NCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C(=O)c4cccc2c34)cc1
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)CCCCC(=O)NCCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C(=O)c4cccc2c34)cc1
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)CCCCC(=O)NCCCCCCNC(=O)CCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C(=O)c4cccc2c34)cc1
Brc1ccc(Sc2ccc3C(NCCC(=O)NCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)=C(C#N)C(=O)c4cccc2c34)cc1 |t:41|
Brc1ccc(Sc2ccc3C(NCCC(=O)NCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)=C(C#N)C(=O)c4cccc2c34)cc1 |t:43|
Brc1ccc(Sc2ccc3C(NCCC(=O)NCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)=C(C#N)C(=O)c4cccc2c34)cc1 |t:47|
CC(C)(C)c1ccc(cc1)C(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(C1=O)c23
Brc1ccc(Sc2ccc3C(C#N)=C(C#N)C(=O)c4cccc2c34)cc1 |t:12|
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)CCCCC(=O)NCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C(=O)c4cccc2c34)cc1
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)CCCCC(=O)NCCCCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C(=O)c4cccc2c34)cc1
Brc1ccc(Sc2ccc3C(NCCC(=O)NCCCCCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)=C(C#N)C(=O)c4cccc2c34)cc1 |t:45|
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)CCCCC(=O)NCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)C(=O)c4cccc2c34)cc1
Clc1ccc(C[C@H]2CC(=O)N[C@H]3CCc4ccccc4N(CC(=O)N[C@H](Cc4ccc(Cl)c(Cl)c4)CC(=O)NCCCN2)C3=O)cc1 |r|
c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO
Cn1nc2CSCc3nn(C)c(Cl)c3-c3c(Cl)ccc4c(CCCOc5cc(SCc1c2)cc1ccccc51)c(C(O)=O)n(C)c34
Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(-6.44,-15.46,;-4.9,-15.46,;-3.99,-16.71,;-2.53,-16.23,;-1.28,-17.14,;-2.53,-14.69,;-1.28,-13.79,;-3.99,-14.22,;-4.47,-12.75,;-5.97,-12.43,;-6.45,-10.97,;-5.42,-9.83,;-3.91,-10.15,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-1.42,-10.15,;-1.9,-11.61,;-3.44,-11.61,;.04,-9.67,;1.19,-10.7,;.36,-8.16,)|
Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)|
C[C@@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2c3ccccc3CC[C@H](NC(=O)C[C@H](Cc3ccc(Cl)cc3)N1)C2=O |r|
CC1CCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC(=O)N1C)C2=O |r|
CNC(=O)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1c2ccccc2CC[C@H](NC(=O)C[C@@H](N)Cc2ccc(Cl)cc2)C1=O |r|
CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(cc2)S(C)(=O)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(CCc4ccccc4)c3)CC1=O)C2=O |r|
C[C@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2c3ccccc3CC[C@H](NC(=O)C[C@H](Cc3ccc(Cl)cc3)N1)C2=O |r|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(c4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccccc1 |(8.24,-21.23,;9.7,-21.7,;10.18,-23.17,;11.72,-23.17,;12.2,-21.7,;13.66,-21.22,;10.94,-20.79,;10.94,-19.25,;9.61,-18.48,;8.27,-19.25,;9.61,-16.94,;10.94,-16.17,;12.27,-16.93,;13.74,-16.45,;13.73,-14.9,;15.06,-14.12,;15.04,-12.58,;16.37,-11.8,;16.36,-10.26,;15.03,-9.52,;15.01,-7.98,;13.67,-7.22,;16.34,-7.19,;16.33,-5.65,;17.68,-7.95,;19.01,-7.17,;17.69,-9.49,;14.65,-17.69,;13.75,-18.94,;12.28,-18.48,;16.19,-17.68,;16.96,-16.34,;16.97,-19.01,;16.21,-20.35,;14.87,-21.11,;14.88,-19.57,;16.99,-21.68,;16.37,-23.09,;17.52,-24.12,;18.85,-23.34,;18.52,-21.83,;20.39,-23.33,;21.15,-22,;21.16,-24.66,;20.39,-26,;21.17,-27.33,;20.39,-28.66,;21.16,-29.99,;22.71,-29.99,;23.47,-28.65,;22.7,-27.32,)|
CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1
CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4
OC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(SCCCC(=O)Nc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(NCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
Nc1ccc(SCCc2ccccc2)cc1C(O)=O
OC(=O)c1cc(SCCc2ccccc2)ccc1NC(=O)c1ccccc1
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1
c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCC(CC1)c1ccccc1
c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4
CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4
CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O
COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1
OC(=O)c1cc(SCCC(=O)Nc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1
OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(nc1)-c1ccccc1
OC(=O)c1cc(OCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1
c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F
OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccccc2)CC1
C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O
CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCOCC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18|
C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)OC
[H][C@@]12CC[C@@]1([H])[C@@H](OCCOCC(F)F)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:16|
CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(C)(=O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
[H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9|
[H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCCN1CC(F)(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:19|
[H][C@@]12CC[C@@]1([H])[C@H](CCCCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1)OC |r|
[H][C@@]12CC[C@@]1([H])[C@@H](O)\C=C\CCN(C)C(=O)C[C@](OC)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:9|
[H][C@@]12CC[C@@]1([H])[C@@H](O)CCCCN(C)C(=O)C[C@@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r|
CS(=O)(=O)NC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r|
c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5
OC(=O)Cc1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r|
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(N)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(O)=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC
[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCC(F)(F)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(C1)OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)C1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:17|
[H][C@@]12CC[C@@]1([H])[C@@H](OCC(=O)N(C)C)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:15|
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(CO)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCS(=O)(=O)CC1)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:20|
OC(C(O)=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(CC3CCC3)c2c1 |r|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCNCC(F)(F)CO)\C=C\CCN(C)C(=O)C[C@@](O)(C(=O)NS(=O)(=O)N(C)C)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18|
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\CCN(C)C(=O)C[C@](O)(C(=O)OC)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
CCc1sc2ncnc(N[C@H](Cc3ccccc3OCCN3CCN(C)CC3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(40.8,-50.74,;40.03,-49.41,;38.49,-49.41,;37.59,-50.66,;36.12,-50.18,;34.79,-50.96,;33.45,-50.19,;33.45,-48.64,;34.79,-47.87,;34.79,-46.33,;33.45,-45.57,;33.45,-44.03,;32.11,-43.26,;30.79,-44.03,;29.46,-43.27,;29.45,-41.72,;30.79,-40.95,;32.12,-41.72,;33.45,-40.95,;33.46,-39.41,;34.79,-38.64,;36.12,-39.41,;36.11,-40.95,;37.44,-41.72,;38.78,-40.96,;40.11,-41.73,;38.78,-39.41,;37.45,-38.63,;32.12,-46.34,;30.78,-45.57,;32.12,-47.88,;36.12,-48.64,;37.59,-48.16,;38.06,-46.7,;37.03,-45.56,;37.5,-44.1,;39.01,-43.77,;40.04,-44.91,;41.55,-44.59,;39.57,-46.38,;40.6,-47.52,)|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(60.95,-30.92,;60.18,-29.58,;58.64,-29.58,;57.74,-30.83,;56.27,-30.36,;54.94,-31.14,;53.6,-30.37,;53.6,-28.82,;54.94,-28.05,;54.94,-26.51,;53.6,-25.74,;53.6,-24.2,;52.26,-23.44,;52.27,-21.89,;50.93,-21.13,;49.6,-21.9,;49.61,-23.45,;50.94,-24.21,;52.27,-26.52,;50.93,-25.75,;52.27,-28.06,;56.27,-28.81,;57.74,-28.34,;58.21,-26.87,;57.18,-25.74,;57.65,-24.28,;59.16,-23.95,;60.19,-25.09,;59.72,-26.56,;60.75,-27.7,)|
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1ccc(SC)cc1 |r|
CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc2[nH]ccc2c1 |r|
CCc1sc2ncnc(N[C@@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(O)c1 |r|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(65.68,-39.02,;64.91,-37.69,;63.37,-37.69,;62.47,-38.94,;61,-38.46,;59.67,-39.24,;58.33,-38.47,;58.33,-36.92,;59.67,-36.15,;59.67,-34.61,;58.33,-33.84,;58.33,-32.3,;56.99,-31.54,;57,-30,;55.67,-29.23,;54.33,-30,;54.34,-31.55,;55.67,-32.31,;57,-34.62,;55.66,-33.85,;57,-36.16,;61,-36.92,;62.47,-36.44,;62.94,-34.97,;61.91,-33.84,;62.38,-32.38,;63.89,-32.05,;64.36,-30.59,;65.87,-30.26,;66.34,-28.79,;67.84,-28.47,;68.88,-29.62,;70.38,-29.3,;70.86,-27.83,;72.35,-27.43,;69.83,-26.69,;68.31,-27.01,;64.92,-33.19,;66.43,-32.86,;64.45,-34.66,;65.48,-35.8,)|
CCc1sc2ncnc(N[C@H](Cc3ccccc3OC)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(39.83,-31.86,;39.06,-30.53,;37.52,-30.53,;36.62,-31.78,;35.15,-31.3,;33.82,-32.08,;32.48,-31.31,;32.48,-29.76,;33.82,-28.99,;33.81,-27.45,;32.48,-26.69,;32.48,-25.15,;31.14,-24.38,;29.82,-25.15,;28.49,-24.39,;28.48,-22.84,;29.81,-22.07,;31.15,-22.84,;32.48,-22.07,;33.81,-22.84,;31.15,-27.46,;29.81,-26.69,;31.15,-29,;35.15,-29.76,;36.62,-29.28,;37.09,-27.82,;36.06,-26.68,;36.53,-25.22,;38.04,-24.89,;39.07,-26.03,;40.57,-25.71,;38.6,-27.5,;39.63,-28.64,)|
CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(15.8,-11.63,;15.03,-10.29,;13.49,-10.29,;12.59,-11.54,;11.13,-11.07,;9.79,-11.85,;8.45,-11.08,;8.45,-9.53,;9.79,-8.76,;9.79,-7.22,;8.44,-6.45,;8.43,-4.91,;7.11,-7.23,;5.77,-6.46,;7.11,-8.77,;11.12,-9.52,;12.59,-9.05,;13.06,-7.58,;12.03,-6.45,;12.5,-4.99,;14.01,-4.66,;15.04,-5.8,;14.58,-7.27,;15.61,-8.41,)|
CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc2ccccc2c1 |r|
CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1ccccc1OCc1ccccc1 |r,wU:10.10,(33.92,-28.48,;33.15,-27.15,;31.61,-27.15,;30.71,-28.4,;29.24,-27.92,;27.91,-28.7,;26.57,-27.93,;26.57,-26.39,;27.9,-25.62,;27.9,-24.08,;26.56,-23.31,;26.55,-21.77,;25.23,-24.08,;23.89,-23.32,;25.23,-25.62,;29.24,-26.38,;30.71,-25.9,;31.18,-24.44,;30.15,-23.3,;30.62,-21.84,;32.13,-21.51,;33.16,-22.65,;32.69,-24.12,;33.72,-25.27,;35.23,-24.95,;36.26,-26.09,;35.78,-27.55,;36.81,-28.7,;38.32,-28.38,;38.79,-26.9,;37.76,-25.76,)|
CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1ccc2[nH]ccc2c1 |r|
OC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2sc(c(-c3cccc(O)c3)c12)-c1ccccc1 |r|
C[C@@H](Nc1ncnc2sc(c(-c3cccc(O)c3)c12)-c1ccccc1)C(O)=O |r|
C[C@@H](Nc1ncnc2scc(-c3cccc(O)c3)c12)C(O)=O |r|
CCc1sc2ncnc(N[C@@H](C(O)=O)c3ccccc3)c2c1-c1cccc(O)c1 |r|
CCc1sc2ncnc(N[C@@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1CC |r|
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1ccccc1 |r|
CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1cccc(O)c1 |r|
CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)-c1cccnc1 |r|
CCc1sc2ncnc(NC(CO)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(18.79,-38.56,;18.02,-37.22,;16.48,-37.22,;15.58,-38.47,;14.12,-38,;12.78,-38.77,;11.44,-38,;11.44,-36.46,;12.78,-35.69,;12.78,-34.15,;11.44,-33.38,;11.44,-31.84,;10.1,-31.07,;10.11,-29.53,;8.78,-28.76,;7.44,-29.54,;7.45,-31.08,;8.78,-31.85,;10.11,-34.15,;8.77,-33.39,;10.11,-35.69,;14.11,-36.45,;15.58,-35.98,;16.05,-34.51,;15.02,-33.38,;15.49,-31.92,;17,-31.59,;17.47,-30.12,;18.98,-29.8,;19.45,-28.33,;20.95,-28.01,;21.99,-29.15,;23.49,-28.83,;23.97,-27.37,;25.46,-26.97,;22.94,-26.22,;21.42,-26.54,;18.03,-32.73,;19.54,-32.4,;17.56,-34.19,;18.59,-35.34,)|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(CN2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(17.24,-17.95,;16.47,-16.62,;14.93,-16.62,;14.03,-17.87,;12.57,-17.39,;11.23,-18.17,;9.89,-17.4,;9.89,-15.85,;11.23,-15.08,;11.23,-13.54,;9.89,-12.78,;9.89,-11.24,;8.56,-10.47,;8.56,-8.93,;7.23,-8.16,;5.89,-8.93,;5.9,-10.48,;7.24,-11.24,;8.56,-13.55,;7.23,-12.78,;8.56,-15.09,;12.57,-15.85,;14.03,-15.37,;14.5,-13.91,;13.47,-12.77,;13.94,-11.31,;12.91,-10.17,;13.38,-8.7,;14.89,-8.38,;15.36,-6.92,;14.33,-5.78,;14.81,-4.31,;12.83,-6.1,;12.35,-7.57,;15.45,-10.98,;15.92,-9.52,;16.48,-12.12,;17.99,-11.8,;16.01,-13.59,;17.05,-14.73,)|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(N2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(62.82,-50.77,;62.05,-49.44,;60.51,-49.44,;59.61,-50.69,;58.14,-50.21,;56.81,-50.99,;55.47,-50.22,;55.47,-48.68,;56.81,-47.91,;56.8,-46.37,;55.47,-45.6,;55.47,-44.06,;54.13,-43.29,;54.14,-41.75,;52.8,-40.98,;51.47,-41.76,;51.48,-43.3,;52.81,-44.06,;54.14,-46.37,;52.8,-45.6,;54.14,-47.91,;58.14,-48.67,;59.61,-48.19,;60.08,-46.73,;59.05,-45.6,;59.52,-44.13,;58.48,-42.99,;58.96,-41.53,;57.93,-40.39,;56.42,-40.71,;55.39,-39.57,;55.95,-42.18,;56.98,-43.33,;61.03,-43.81,;61.5,-42.34,;62.06,-44.94,;63.57,-44.62,;61.59,-46.41,;62.62,-47.56,)|
CC(=C)c1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:11.11,(62.48,-29.38,;61.71,-30.71,;62.48,-32.05,;60.17,-30.71,;59.28,-31.96,;57.81,-31.49,;56.48,-32.27,;55.13,-31.5,;55.14,-29.95,;56.47,-29.18,;56.47,-27.64,;55.13,-26.87,;55.13,-25.33,;53.8,-24.56,;53.8,-23.02,;52.47,-22.26,;51.14,-23.03,;51.14,-24.58,;52.48,-25.34,;53.8,-27.64,;52.47,-26.88,;53.8,-29.18,;57.81,-29.94,;59.27,-29.47,;59.74,-28,;58.71,-26.87,;59.18,-25.41,;60.69,-25.08,;61.73,-26.22,;63.23,-25.89,;61.26,-27.69,;62.29,-28.83,)|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(17.11,-30.89,;16.34,-29.56,;14.8,-29.56,;13.9,-30.8,;12.43,-30.33,;11.1,-31.11,;9.76,-30.34,;9.76,-28.79,;11.1,-28.02,;11.09,-26.48,;9.76,-25.71,;9.76,-24.17,;8.42,-23.41,;8.43,-21.86,;7.09,-21.1,;5.76,-21.87,;5.77,-23.42,;7.1,-24.18,;8.43,-26.49,;7.09,-25.72,;8.43,-28.03,;12.43,-28.79,;13.9,-28.31,;14.37,-26.84,;13.34,-25.71,;13.81,-24.25,;15.32,-23.92,;16.35,-25.06,;17.86,-24.73,;15.88,-26.53,;16.91,-27.67,)|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Br)c1C |r,wU:10.10,(17.07,-14.5,;16.3,-13.16,;14.76,-13.16,;13.86,-14.41,;12.4,-13.94,;11.06,-14.71,;9.72,-13.94,;9.72,-12.4,;11.06,-11.63,;11.06,-10.09,;9.72,-9.32,;9.72,-7.78,;8.38,-7.01,;8.39,-5.47,;7.06,-4.71,;5.72,-5.48,;5.73,-7.03,;7.07,-7.79,;8.39,-10.09,;7.06,-9.33,;8.39,-11.63,;12.4,-12.39,;13.86,-11.92,;14.33,-10.45,;13.3,-9.32,;13.77,-7.86,;15.28,-7.53,;16.31,-8.67,;17.82,-8.34,;15.84,-10.13,;16.88,-11.28,)|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(19.32,-30,;18.55,-28.66,;17.01,-28.66,;16.11,-29.91,;14.64,-29.44,;13.31,-30.21,;11.97,-29.44,;11.97,-27.9,;13.31,-27.13,;13.3,-25.59,;11.97,-24.82,;11.97,-23.28,;10.63,-22.51,;10.64,-20.97,;9.3,-20.21,;7.97,-20.98,;7.98,-22.53,;9.31,-23.29,;10.64,-25.59,;9.3,-24.83,;10.64,-27.13,;14.64,-27.89,;16.11,-27.42,;16.58,-25.95,;15.55,-24.82,;16.02,-23.36,;17.53,-23.03,;18.56,-24.17,;20.1,-24.16,;20.58,-25.62,;19.34,-26.54,;18.09,-25.63,)|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc2[nH]ccc12 |r,wU:10.10,(36.48,-12.68,;35.71,-11.35,;34.17,-11.35,;33.27,-12.59,;31.8,-12.12,;30.47,-12.9,;29.13,-12.13,;29.13,-10.58,;30.47,-9.81,;30.47,-8.27,;29.13,-7.5,;29.13,-5.96,;27.79,-5.2,;27.8,-3.66,;26.47,-2.89,;25.13,-3.66,;25.14,-5.21,;26.47,-5.97,;27.8,-8.28,;26.46,-7.51,;27.8,-9.82,;31.8,-10.58,;33.27,-10.1,;33.74,-8.63,;32.71,-7.5,;33.18,-6.04,;34.69,-5.71,;35.72,-6.85,;37.26,-6.84,;37.75,-8.31,;36.5,-9.22,;35.25,-8.32,)|
CCc1sc2ncnc(N[C@H](CC3CCCCC3)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCC(=O)N2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(39.71,-17.53,;38.94,-16.19,;37.4,-16.19,;36.5,-17.44,;35.03,-16.97,;33.7,-17.75,;32.36,-16.98,;32.36,-15.43,;33.69,-14.66,;33.69,-13.12,;32.36,-12.35,;32.35,-10.81,;31.02,-10.05,;31.03,-8.5,;29.69,-7.74,;28.36,-8.51,;28.37,-10.06,;29.7,-10.82,;31.02,-13.13,;29.69,-12.36,;31.03,-14.66,;35.03,-15.42,;36.5,-14.95,;36.96,-13.48,;35.94,-12.35,;36.41,-10.89,;37.92,-10.56,;38.39,-9.09,;39.89,-8.77,;40.36,-7.3,;39.33,-6.16,;41.87,-6.98,;42.91,-8.13,;44.41,-7.81,;44.88,-6.34,;46.37,-5.94,;43.85,-5.2,;42.34,-5.52,;38.95,-11.7,;40.45,-11.37,;38.48,-13.17,;39.51,-14.31,)|
CCNS(=O)(=O)c1cccc(c1)-c1nc(N[C@H](C)C(O)=O)c2c(c(CC)sc2n1)-c1cccc(Oc2ccc(F)cc2)c1 |r|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(O)c(Cl)c1C |r,wU:10.10,(19.06,-48.95,;18.29,-47.62,;16.75,-47.62,;15.85,-48.87,;14.39,-48.39,;13.05,-49.17,;11.71,-48.4,;11.71,-46.85,;13.05,-46.08,;13.05,-44.54,;11.71,-43.78,;11.71,-42.24,;10.38,-41.47,;10.38,-39.93,;9.05,-39.16,;7.71,-39.93,;7.72,-41.48,;9.06,-42.24,;10.38,-44.55,;9.05,-43.78,;10.38,-46.09,;14.39,-46.85,;15.85,-46.37,;16.32,-44.91,;15.29,-43.77,;15.76,-42.31,;17.27,-41.98,;17.74,-40.52,;18.3,-43.12,;19.81,-42.8,;17.84,-44.59,;18.87,-45.73,)|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(57.1,-14.15,;56.33,-12.81,;54.79,-12.81,;53.89,-14.06,;52.42,-13.59,;51.09,-14.36,;49.75,-13.59,;49.75,-12.05,;51.08,-11.28,;51.08,-9.74,;49.75,-8.97,;49.74,-7.43,;48.41,-6.66,;48.42,-5.12,;47.08,-4.36,;45.75,-5.13,;45.76,-6.68,;47.09,-7.44,;48.41,-9.74,;47.08,-8.98,;48.42,-11.28,;52.42,-12.04,;53.89,-11.57,;54.35,-10.1,;53.33,-8.97,;53.8,-7.51,;55.31,-7.18,;56.34,-8.32,;57.84,-7.99,;55.87,-9.78,;56.9,-10.93,)|
CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(56.7,-28.02,;55.93,-26.68,;54.39,-26.68,;53.49,-27.93,;52.02,-27.45,;50.69,-28.23,;49.35,-27.46,;49.35,-25.92,;50.68,-25.15,;50.68,-23.61,;49.34,-22.84,;49.33,-21.3,;48,-23.62,;46.67,-22.85,;48.01,-25.16,;52.02,-25.91,;53.49,-25.43,;53.95,-23.97,;52.93,-22.84,;53.4,-21.37,;54.91,-21.05,;55.94,-22.19,;55.47,-23.66,;56.5,-24.8,)|
CCc1sc2ncnc(N[C@H](C)C(O)=O)c2c1-c1ccc2ccccc2c1 |r|
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(O)c1 |r|
CCc1sc2ncnc(NC(C(O)=O)c3ccccc3)c2c1-c1cccc(Oc2ccc(F)cc2)c1
CCc1sc2ncnc(N[C@@H](C)C(O)=O)c2c1-c1cccc(c1)C(F)(F)F |r|
CCc1sc2ncnc(O[C@H](C)C(O)=O)c2c1-c1ccc(cc1)C(C)C |r|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccccc1C |r,wU:10.10,(41.11,-47.36,;40.34,-46.02,;38.8,-46.03,;37.9,-47.27,;36.43,-46.8,;35.1,-47.58,;33.76,-46.81,;33.76,-45.26,;35.09,-44.49,;35.09,-42.95,;33.76,-42.18,;33.75,-40.64,;32.42,-39.88,;32.42,-38.33,;31.09,-37.57,;29.76,-38.34,;29.76,-39.89,;31.1,-40.65,;32.42,-42.96,;31.09,-42.19,;32.43,-44.5,;36.43,-45.25,;37.9,-44.78,;38.36,-43.31,;37.34,-42.18,;37.8,-40.72,;39.32,-40.39,;40.35,-41.53,;39.88,-43,;40.91,-44.14,)|
CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc2cc(CN(C)C)oc2c(Cl)c1C |r,wU:10.10,(65.57,-17.15,;64.8,-15.82,;63.26,-15.82,;62.36,-17.06,;60.89,-16.59,;59.56,-17.37,;58.21,-16.6,;58.22,-15.05,;59.55,-14.28,;59.55,-12.74,;58.22,-11.97,;58.21,-10.43,;56.88,-9.67,;56.89,-8.13,;55.55,-7.36,;54.22,-8.13,;54.22,-9.68,;55.56,-10.44,;56.88,-12.75,;55.55,-11.98,;56.89,-14.29,;60.89,-15.05,;62.36,-14.57,;62.82,-13.1,;61.8,-11.97,;62.26,-10.51,;61.48,-9.17,;62.51,-8.01,;62.18,-6.51,;63.32,-5.47,;62.99,-3.97,;64.79,-5.94,;63.93,-8.64,;63.78,-10.18,;64.81,-11.32,;66.31,-10.99,;64.34,-12.79,;65.37,-13.93,)|
CCc1sc2ncnc(N[C@H](C(O)=O)c3ccccc3)c2c1-c1cccc(O)c1 |r|
CCc1sc2nc(nc(N[C@H](C)C(O)=O)c2c1-c1cccc(Oc2ccc(F)cc2)c1)S(C)(=O)=O |r|
c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CCc1sc2ncnc(N[C@@H](CO)C(O)=O)c2c1-c1ccccc1 |r|
c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5
CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O
C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O
Clc1ccc2c(CCC[C@]22COc3ccc4cc3N(C2)CCCCCCOCCS(=O)(=O)NC4=O)c1 |r|
Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(16.06,-18.86,;14.59,-19.34,;14.12,-20.8,;12.58,-20.8,;12.1,-19.34,;10.63,-18.87,;13.34,-18.43,;13.34,-16.89,;12,-16.12,;12.01,-14.57,;13.33,-13.8,;14.67,-14.57,;16.13,-14.08,;17.46,-13.3,;17.45,-11.76,;16.1,-11,;16.09,-9.46,;17.41,-8.68,;18.75,-9.44,;20.08,-8.66,;20.06,-7.12,;18.72,-6.37,;18.7,-4.83,;17.36,-4.07,;16.03,-4.87,;16.06,-6.4,;17.39,-7.15,;17.05,-15.33,;16.15,-16.58,;14.68,-16.11,;18.59,-15.32,;19.37,-16.65,;19.35,-13.98,)|
C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O
CC1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(57.86,-22.8,;57.79,-24.34,;59.16,-25.07,;59.45,-26.61,;60.94,-27.01,;62.03,-25.92,;63.51,-26.33,;64.6,-25.24,;64.21,-23.75,;62.71,-23.36,;61.63,-24.44,;62.31,-21.87,;63.4,-20.78,;60.82,-21.47,;58.43,-27.79,;59.04,-29.2,;56.87,-27.72,;55.96,-28.96,;55.95,-30.5,;57.27,-31.28,;57.26,-32.82,;58.58,-33.6,;58.57,-35.14,;59.89,-35.92,;59.88,-37.45,;61.21,-38.23,;58.54,-38.22,;58.52,-39.76,;57.21,-37.43,;55.87,-38.19,;57.22,-35.89,;54.49,-28.49,;53.16,-29.27,;51.83,-28.49,;51.83,-26.95,;50.49,-26.18,;53.16,-26.18,;53.15,-24.64,;51.9,-23.74,;50.44,-24.22,;52.37,-22.28,;53.91,-22.27,;54.81,-21.02,;54.39,-23.74,;55.86,-24.21,;54.49,-26.94,;55.96,-26.47,;56.37,-24.96,)|
CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |(21.15,-9.08,;19.91,-9.99,;18.53,-9.25,;17.11,-9.87,;16.7,-11.38,;17.61,-12.64,;16.7,-13.88,;16.69,-15.41,;18.01,-16.2,;17.99,-17.74,;19.32,-18.52,;19.3,-20.06,;17.96,-20.81,;17.95,-22.35,;16.61,-23.11,;19.27,-23.14,;19.27,-24.68,;20.62,-22.37,;21.95,-23.15,;20.63,-20.83,;15.23,-13.41,;13.9,-14.19,;12.56,-13.41,;12.57,-11.87,;11.23,-11.1,;13.89,-11.1,;13.88,-9.56,;12.64,-8.66,;11.17,-9.14,;13.1,-7.2,;14.64,-7.19,;15.55,-5.94,;15.13,-8.65,;16.59,-9.12,;15.23,-11.86,;19.17,-12.7,;19.78,-14.12,;20.19,-11.52,;21.72,-11.52,;22.5,-12.85,;21.72,-14.18,;22.49,-15.52,;24.04,-15.51,;24.8,-14.17,;24.03,-12.84,;26.35,-14.16,;27.11,-12.82,;27.12,-15.49,)|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1cccnc1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC
FC(F)(F)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC[C@H](O)c1ccccc1 |r|
Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
CC(C)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
CC(C)[C@@H](NC(=O)c1cc(C)c(s1)S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N(CCc1ccccc1)CC(O)=O
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](CCc1ccccc1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](COCc1ccccc1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NCC(O)=O
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NCc1nnn[nH]1
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)c1nnn[nH]1 |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(=O)NS(C)(=O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCO |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC1(CC1)C(O)=O
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NCCC(O)=O
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC(Cc1ccccc1)c1ccccc1
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NCCc1ccccc1
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC(Cc1ccccc1)Cc1ccccc1
Cc1cc2NC(=O)COc2cc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
Cn1ccnc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
FC(F)(F)c1ccc(Cl)c(NS(=O)(=O)c2cccc(c2)C(=O)Nn2cnnc2)c1
COC(=O)c1cc(C)c(s1)S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
Cc1ccc(F)cc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
Cc1ccccc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
FC(F)(F)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1
CN(C)c1ccc(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)S(=O)(=O)N(C)C
Clc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1
Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccn[nH]1
FC(F)(F)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1Cl
Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NS(C)(=O)=O
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC[C@@H](O)c1ccccc1 |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC1CCc2ccccc2C1
FC(F)(F)c1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
C[C@@H](NC(=O)c1cc(C)c(s1)S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1c[nH]cn1)C(O)=O |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N1CCN(C[C@H]1C(O)=O)C(=O)OC(C)(C)C |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1 |r|
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NC(Cc1ccccc1)C(O)=O
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)NCCc1ccc(Oc2ccccc2)cc1
FC(F)(F)c1ccc(Cl)c(NS(=O)(=O)c2sc(Cl)cc2Cl)c1
Cc1cc(F)ccc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F
Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Cc1ccc(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)[N+]([O-])=O
Clc1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
Cc1cc(sc1S(=O)(=O)Nc1cc(ccc1Cl)C(F)(F)F)C(=O)N1CCCC[C@H]1C(O)=O |r|
CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCN(CC4)C(=O)COc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)c23)cc1 |(6.95,-14.17,;6.17,-15.5,;4.63,-15.48,;6.92,-16.84,;6.91,-18.38,;5.58,-17.61,;8.46,-16.86,;9.25,-15.53,;10.78,-15.55,;11.54,-16.9,;10.76,-18.22,;9.22,-18.2,;13.08,-16.9,;13.87,-15.57,;15.41,-15.59,;16.15,-16.94,;17.69,-16.95,;18.48,-15.62,;20.02,-15.64,;20.91,-14.39,;22.39,-14.86,;23.63,-13.95,;22.39,-16.4,;20.93,-16.88,;20.46,-18.35,;20.43,-12.93,;18.92,-12.62,;18.44,-11.14,;19.47,-10,;20.97,-10.32,;22.23,-9.4,;22.22,-7.86,;20.87,-7.11,;20.86,-5.57,;19.52,-4.81,;19.5,-3.27,;18.16,-2.53,;18.14,-.99,;19.47,-.2,;20.82,-.96,;22.13,-.17,;23.47,-.93,;23.49,-2.47,;22.16,-3.25,;20.83,-2.5,;23.48,-10.31,;24.81,-9.53,;26.15,-10.29,;24.79,-7.99,;23.01,-11.79,;24.33,-12.55,;25.66,-11.79,;26.99,-12.56,;26.97,-14.1,;28.3,-14.88,;29.64,-14.12,;29.65,-12.58,;28.32,-11.8,;30.97,-14.9,;30.96,-16.44,;32.31,-14.14,;33.64,-14.92,;33.63,-16.46,;32.27,-17.2,;32.24,-18.73,;33.56,-19.54,;34.91,-18.77,;36.36,-19.28,;36.81,-20.75,;37.28,-18.05,;38.81,-18.08,;39.6,-16.75,;41.14,-16.79,;41.89,-18.14,;43.43,-18.17,;41.09,-19.45,;39.55,-19.43,;38.76,-20.75,;36.4,-16.8,;36.9,-15.34,;34.93,-17.25,;21.46,-11.79,;15.38,-18.26,;13.85,-18.25,)|
O=C1N=C2C3C=CC=C4C3C(=CC=C4N3CCSCC3)C2=C1C#N |c:5,7,11,13,24,t:2|
Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccccc1O |(6.4,-8.98,;7.51,-8.45,;8.77,-9.34,;10.17,-8.68,;10.3,-7.15,;9.04,-6.27,;7.64,-6.92,;6.38,-6.04,;5.27,-6.56,;6.52,-4.5,;7.83,-3.7,;7.47,-2.2,;8.28,-1.27,;5.94,-2.08,;5.29,-1.03,;5.37,-3.49,;3.91,-3.97,;3.43,-5.43,;4.15,-6.43,;1.89,-5.43,;1.16,-6.42,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,)|
Cc1cc2c(C(=O)Cc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)Cc3ccccc3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.67,-9.24,;12,-10.01,;12,-11.55,;10.67,-12.32,;9.34,-11.55,;9.34,-10.01,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
OS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
CS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O |r|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)c(c1)S(F)(=O)=O |r|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
CN(CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O)CC#C |r|
[O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1S(F)(=O)=O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6|
[#6]-[#8]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:8|
[#6]-[#8]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:8|
[#6]-[#8]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7|
[#6]-[#8]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7|
[#6]-[#7](-[#8])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7|
[#6]-[#7](-[#8])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](-[#7])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](-[#7])=O |r,t:6|
[#6]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7|
[#6]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7|
[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:11|
[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:11|
[#6]-[#8]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-2-c2ccccc2)cc1 |r,t:13|
[#6]-[#8]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-2-c2ccccc2)cc1 |r,t:13|
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-2-c2ccccc2)cc1 |r,t:11|
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-2-c2ccccc2)cc1 |r,t:11|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(-[#8])cc1 |r,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(-[#8])cc1 |r,t:6|
CC1(C)CCCC2=C1C[C@@H]([C@H](C2)c1ccccc1)C(O)=O |r,c:6|
CC1(C)CCCC2=C1C[C@H]([C@@H](C2)c1ccccc1)C(O)=O |r,c:6|
CON(C)C(=O)[C@H]1CC2=C(CCCC2(C)C)C[C@@H]1c1ccccc1 |r,t:8|
CON(C)C(=O)[C@@H]1CC2=C(CCCC2(C)C)C[C@H]1c1ccccc1 |r,t:8|
[H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CC[C@@H](CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:28.31,1.0,16.19,wD:3.3,22.27,9.9,13.12,c:7,25,(36.45,-22.49,;36.46,-24.04,;35.13,-23.25,;33.81,-24.03,;33.79,-22.49,;32.48,-23.24,;31.15,-24.03,;29.81,-23.26,;31.15,-25.57,;32.48,-26.32,;31.37,-27.42,;29.88,-27.01,;29.5,-25.52,;28.79,-28.09,;27.31,-27.67,;26.22,-28.75,;26.6,-30.24,;28.08,-30.65,;29.19,-29.57,;25.49,-31.32,;24.01,-30.9,;25.87,-32.82,;33.8,-25.57,;35.11,-26.33,;36.45,-25.58,;33.78,-27.1,;32.44,-27.85,;35.1,-27.88,;37.8,-23.27,;37.81,-21.73,;39.13,-24.05,;40.47,-23.28,;41.8,-24.07,;43.14,-23.3,;44.47,-24.08,;43.15,-21.76,)|
ONC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2csc(n2)N2N=C(\C(=N\Nc3nccs3)C2=O)c2ccccc2)cc1 |c:26|
O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
OC(=O)c1ccc(CNC(=O)CCNC2=C(C#N)C(=O)c3cccc4c(Sc5ccc(Br)cc5)ccc2c34)cc1 |c:14|
Brc1ccc(Sc2ccc3C(NCCC(=O)NCc4ccccc4)=C(C#N)C(=O)c4cccc2c34)cc1 |t:24|
CCCCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 |c:5|
c1c2c(cc(c1O)O)OC(=O)C=C2
Cc1cc(=O)oc2cc(O)c(O)cc12
Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1O
Oc1cc2oc(=O)cc(c2cc1O)C(F)(F)F
Oc1cc2oc(=O)cc(CCl)c2cc1O
OCc1cc(=O)oc2cc(O)c(O)cc12
Oc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1O
OC(=O)Cc1cc(=O)oc2cc(O)c(O)cc12
CN(C)Cc1c(O)c(O)cc2ccc(=O)oc12
CN(C)Cc1c(O)c(O)cc2oc(=O)ccc12
OC1CCN(Cc2c(O)c(O)cc3ccc(=O)oc23)CC1
OC1CCN(Cc2c(O)c(O)cc3oc(=O)ccc23)CC1
Oc1cc2ccc(=O)oc2c(CN2CCCC2)c1O
CN(C)Cc1c(O)c(O)cc2c(C)cc(=O)oc12
Cc1cc(=O)oc2c(CN3CCC(O)CC3)c(O)c(O)cc12
Cc1cc(=O)oc2c(CN3CCCC3)c(O)c(O)cc12
COc1cc2oc(=O)ccc2cc1O
COc1cc2c(cc1O)OC(=O)C=C2
COc1cc2ccc(=O)oc2cc1OC
COc1cc2cc([N+]([O-])=O)c(=O)oc2c(c1OC)[N+]([O-])=O
Oc1ccc2ccc(=O)oc2c1O
Cc1cc(=O)oc2c(O)c(O)ccc12
Oc1ccc2c(CCl)cc(=O)oc2c1O
OCc1cc(=O)oc2c(O)c(O)ccc12
COc1ccc2ccc(=O)oc2c1O
COc1ccc2c(C)cc(=O)oc2c1O
COc1ccc2c(CCl)cc(=O)oc2c1O
COc1ccc2c(CO)cc(=O)oc2c1O
CC1=CC(=O)Oc2c1ccc(c2)O
Cc1cc(=O)oc2c(c(O)ccc12)[N+]([O-])=O
CC1=CC(=O)Oc2c1cc(c(c2)O)Cl
CCc1cc2c(C)cc(=O)oc2cc1O
c1ccc2c(c1)C=CC(=O)O2
Oc1ccc2oc(=O)ccc2c1
c1cc2c(cc1O)OC(=O)C=C2
COc1cc2ccc(=O)oc2c(O)c1O
c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)C=C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,t:10|
[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)C=C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,t:10|
[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)[C@@H](C)CC |r,t:10,84|
[H][C@]1(CC(=O)NCCCC[C@]([H])(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,t:79|
[H][C@]1(CC(=O)NCCCC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]2(C)CCC\C=C\CCC[C@](C)(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N2)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,t:48|
[H][C@]1(CC(=O)NCCCC[C@]([H])(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1([H])CCCCNC(=O)C[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
c1ccc(nc1)-c1nccc2c3ccccc3[nH]c12
C(c1ccccc1)n1c2ccccc2c2ccnc(-c3ccccn3)c12
Fc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c23)cc1
Cc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c23)cc1
C(Cn1c2ccccc2c2ccnc(-c3ccccn3)c12)c1ccccc1
CCn1c2ccccc2c2ccnc(-c3ccccn3)c12
C(C1CC1)n1c2ccccc2c2ccnc(-c3ccccn3)c12
C(c1ccc2ccccc2c1)n1c2ccccc2c2ccnc(-c3ccccn3)c12
C(Cn1c2ccccc2c2ccnc(-c3ccccn3)c12)Oc1ccccc1
C(Cn1c2ccccc2c2ccnc(-c3ccccn3)c12)OCc1ccccc1
CCOCCn1c2ccccc2c2ccnc(-c3ccccn3)c12
[H][C@]12CS[C@@H](CCCCCC(=O)NC(=O)C(CNC(=O)C(NC3=NS(=O)(=O)c4ccccc34)C(C)C)NC(=O)C3(CC3)NC(=O)COc3ccccc3-c3n[nH]c4ccc(Cl)cc34)[C@@]1([H])NC(=O)N2 |r,t:22|
OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12
Cc1cccc(c1)-c1cn(CCCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12
OC(=O)c1ccc(Cl)cc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12
Cc1cccc(c1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12
OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12
Cc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1ccc(cc1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
CCc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
CC(C)c1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
COc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(O)=O)c23)c1C
Cc1ccc(cc1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
COc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12
OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12
COc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12
OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3ccccc3)c12
[H][C@@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)CNc1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CCN(C2)c3c1 |r,t:10|
Cc1ccc(Cc2cc(C(O)=O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2)cc1
Cc1ccc(cc1)C(=O)c1cc(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1
Cc1ccc(cc1)S(=O)(=O)c1cc(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1
Cc1ccc(cc1)S(=O)(=O)Nc1cc(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1
Cc1ccc(CNc2cc(C(O)=O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2)cc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(C)cc1
CCc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(CC)c1S(=O)(=O)c1ccc(C)cc1
CCc1c(c(C)c(C(O)=O)n1CCCOc1cc(C)c(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1
CCc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(C)cc1
Cc1c(cn(CCCOc2cc(C)c(Cl)c(C)c2)c1C(O)=O)S(=O)(=O)c1ccc(C)cc1
CC(C)Cc1c(c(C)c(C(O)=O)n1CCCOc1cc(C)c(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1
CC(C)Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(C)cc1
Cc1c(Sc2ccc(C)cc2)c(C)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C(O)=O
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)Cc1ccccc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccccn1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccncc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccs1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccc2ccccc12
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)C1CCCCC1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)C1CCCC1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccccc1
CC(=O)c1ccccc1S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
COc1ccccc1S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccccc1Br
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccccc1O
CC(=O)c1cccc(c1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
COc1cccc(c1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccc(Br)c1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccc(O)c1
CC(=O)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
COc1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(Br)cc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(O)cc1
CCc1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
CC(C)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)C(C)(C)C
CCOc1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(F)cc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(Cl)cc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)C(O)=O
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(N)cc1
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1c(C)cccc1C
Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cc(C)cc(C)c1
Oc1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1O
[O-][N+](=O)c1ccc(Oc2ccccc2-c2ccc(s2)S(=O)(=O)NCCNC(=O)Nc2ccc(Cl)cc2)cc1[N+]([O-])=O
Oc1ccc(Oc2ccccc2-c2csc(c2)S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2csc(c2)S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2csc(c2)S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1O
Oc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1O
Oc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1O
COc1cccc(NC(=O)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2OCc2ccccc2)c1
Clc1ccc(NC(=S)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2OCc2ccccc2)cc1
[O-][N+](=O)c1ccc(NC(=S)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2OCc2ccccc2)cc1
[O-][N+](=O)c1cccc(NC(=S)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2OCc2ccccc2)c1
Cc1cc(C)cc(NC(=O)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2Oc2ccc(N)cc2)c1
COc1cccc(NC(=S)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2Oc2ccc(cc2)[N+]([O-])=O)c1
COc1ccc(NC(=O)NCCNS(=O)(=O)c2ccc(s2)-c2ccccc2Oc2ccc(cc2)[N+]([O-])=O)cc1
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(Oc2ccc(O)c(O)c2)c1
CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(c1)-c1ccsc1S(=O)(=O)NCCNC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc(Oc2ccc(cc2-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)C)cc1OC
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(Oc2ccc(O)c(O)c2)c1
COc1ccc(Oc2cc(C)ccc2-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1OC
CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(c1)-c1ccsc1S(=O)(=O)NCCNC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cc(Cl)cc(Cl)c2)c(Oc2ccc(O)c(O)c2)c1
CC(C)c1ccc(Oc2ccc(O)c(O)c2)c(c1)-c1ccsc1S(=O)(=O)NCCNC(=O)Nc1cc(Cl)cc(Cl)c1
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2cccc(c2)[N+]([O-])=O)c(Oc2ccc(O)c(O)c2)c1
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2cccc(c2)[N+]([O-])=O)c(Oc2ccc(O)c(O)c2)c1
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=S)Nc2ccc(cc2)[N+]([O-])=O)c(Oc2ccc(O)c(O)c2)c1
Cc1ccc(-c2ccsc2S(=O)(=O)NCCNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c(Oc2ccc(O)c(O)c2)c1
COc1cccc(NC(=S)NCCNS(=O)(=O)c2sccc2-c2ccc(C)cc2Oc2ccc(O)c(O)c2)c1
CN1CCN(CCOc2ccc(-c3c(sc4cccc(OC(Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |(24.77,-9.63,;23.27,-9.95,;22.79,-11.42,;21.3,-11.74,;20.26,-10.6,;18.75,-10.93,;18.29,-12.39,;16.78,-12.73,;16.32,-14.19,;14.81,-14.53,;14.35,-15.99,;15.38,-17.13,;14.91,-18.59,;15.83,-19.83,;14.93,-21.08,;13.46,-20.61,;12.12,-21.39,;10.78,-20.62,;10.78,-19.08,;12.11,-18.31,;12.11,-16.77,;10.77,-16,;10.77,-14.46,;9.43,-13.7,;8.11,-14.48,;6.77,-13.72,;6.76,-12.17,;8.1,-11.4,;9.43,-12.16,;10.76,-11.39,;10.76,-9.85,;9.43,-9.08,;8.02,-9.71,;6.99,-8.57,;7.76,-7.23,;9.27,-7.55,;10.41,-6.52,;11.87,-6.99,;12.96,-8.08,;11.47,-8.48,;13.02,-5.96,;9.44,-16.78,;8.1,-16.01,;9.44,-18.32,;13.45,-19.07,;17.37,-19.82,;18.27,-18.57,;19.73,-19.03,;19.74,-20.57,;21,-21.47,;18.28,-21.06,;16.89,-16.8,;17.92,-17.94,;17.36,-15.33,;18.86,-15.01,;20.72,-9.14,;22.23,-8.81,)|
OC(=O)CCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)C(CC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cccc(c1)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(ccc1C)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)CN1CC(Oc2ccc(cc12)C(O)=O)c1ccc(Cl)cc1Cl
c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5
c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2
[H][C@@]12CC[C@@]1([H])[C@@H](O)C\C=C\CCS(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
CO[C@]1(CN2CCN3CCCC[C@@H]3C2)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:16|
[H][C@@]12CC[C@@]1([H])[C@H](CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1)C1OCC(CO1)N(C)C |r,wU:26.37,6.47,10.11,12.13,4.5,wD:1.0,(.88,-2.17,;-.45,-1.4,;1.13,-1.4,;1.13,.14,;-.44,.14,;-1.77,.91,;.91,.9,;2.23,.11,;3.58,.86,;4.98,.52,;5.27,-.72,;4.18,-1.81,;6.77,-.98,;8.1,-.21,;6.29,-2.67,;7.83,-2.67,;7.06,-4,;4.78,-3.25,;3.31,-2.78,;2.99,-1.28,;2.17,-3.82,;2.49,-5.32,;1.35,-6.35,;-.11,-5.88,;-1.09,-7.07,;-2.63,-7.06,;-3.57,-5.84,;-3.89,-7.35,;-5.35,-7.83,;-6.5,-6.8,;-6.18,-5.29,;-7.33,-4.27,;-7.01,-2.76,;-8.1,-1.67,;-5.56,-2.28,;-4.4,-3.3,;-4.72,-4.81,;-3.21,-4.34,;-1.82,-3.69,;-1.8,-2.15,;-.44,-4.38,;.7,-3.34,;.91,2.44,;-.43,3.21,;-.43,4.75,;.91,5.52,;2.24,4.75,;2.24,3.21,;.91,7.06,;-.43,7.83,;2.24,7.83,)|
CO[C@@]1(CC(=O)N(C)C)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:9|
C[C@H]1C\C=C\[C@@](O)(CC(=O)N(C)C)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
[H][C@@]12CC[C@@]1([H])[C@@H](OCC(O)=O)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:13|
[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CCOCC1)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:18|
Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O
[H][C@]12CC[C@@]1([H])[C@@H](OC)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |r,t:10|
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(c3)N3CCOCC3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccco4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4ccco4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccn(C)n4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4cccnc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4cccnc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCc4ccncc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4ccncc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |r,wU:21.21,(.89,-8.59,;.6,-7.39,;1.71,-6.33,;1.35,-4.83,;-.13,-4.4,;-.49,-2.9,;.63,-1.84,;.27,-.34,;1.38,.72,;1.02,2.22,;2.13,3.28,;3.61,2.84,;4.64,3.99,;6.17,3.83,;6.8,5.23,;5.66,6.26,;5.66,7.8,;4.32,8.57,;2.99,7.8,;2.99,6.26,;1.65,5.5,;.32,6.27,;-1.02,5.5,;-2.35,6.27,;-2.35,7.81,;-3.67,8.59,;-5.01,7.82,;-5.01,6.28,;-3.69,5.51,;-3.69,3.97,;-5.04,3.2,;-5.04,1.66,;-3.8,.78,;-4.28,-.69,;-5.82,-.69,;-6.29,.78,;-7.75,1.27,;-8.9,.25,;-9.83,-.56,;-8.66,-.95,;-10.07,.64,;.32,7.81,;1.39,8.43,;-.75,8.43,;4.32,5.49,;6.95,2.49,;6.42,1.07,;7.64,.13,;8.91,1,;10.07,.59,;8.47,2.49,;3.98,1.35,;5.16,1.01,;2.86,.29,;3.15,-.91,;-1.24,-5.46,;-.88,-6.96,)|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)[C@@H]1Cc2cc(Br)c(OCc3ccc(cc3)-c3ccccc3)c(Br)c2CN1Cc1ccc(cc1)C#N |r|
CCN(CC)C[C@@H](O)CNc1ccc(NC[C@H]2CO2)c2C(=O)c3ccccc3C(=O)c12 |r|
CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccco3)c(C)c2Cl)CC1 |r,wU:21.21,(9.12,2.97,;7.64,2.57,;6.55,3.66,;5.06,3.26,;4.66,1.78,;3.17,1.38,;2.08,2.47,;.6,2.07,;.2,.58,;-1.29,.18,;-1.69,-1.3,;-.6,-2.39,;-1,-3.88,;-.09,-5.12,;-1,-6.37,;-2.46,-5.89,;-3.79,-6.66,;-5.13,-5.9,;-5.13,-4.35,;-3.79,-3.58,;-3.79,-2.04,;-5.13,-1.27,;-5.13,.27,;-6.46,1.04,;-7.79,.27,;-9.12,1.03,;-9.12,2.57,;-7.8,3.34,;-6.46,2.58,;-5.13,3.35,;-3.79,2.58,;-2.46,3.35,;-1.05,2.73,;-.02,3.87,;-.79,5.2,;-2.3,4.88,;-3.39,5.97,;-4.87,5.57,;-5.96,6.66,;-5.96,4.48,;-4.48,4.09,;-6.46,-2.04,;-7.79,-1.27,;-6.46,-3.58,;-2.46,-4.35,;1.45,-5.12,;2.35,-3.88,;3.81,-4.35,;3.81,-5.89,;2.35,-6.37,;.89,-1.99,;1.98,-3.08,;1.28,-.5,;2.77,-.1,;5.75,.69,;7.24,1.09,)|
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cn(Cc4ccc(cc4)-c4ccccc4)c4ccccc34)c(=O)n2C1c1ccccc1 |c:5,t:8|
OC(=O)C1C2CC(Sc3ccccc3[N+]([O-])=O)C(Cl)C2c2cc(Cl)cc3C4C=CCC4CN1c23 |c:29|
Brc1ccc(Sc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c4cccc2c34)cc1
Brc1ccc(Sc2ccc3C(=O)N(CCNC(=O)COc4ccc5ccccc5c4)C(=O)c4cccc2c34)cc1
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(C2CCCC2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl
CC(C)C1=C(O)C(O)=CC2C1C(=O)C(C)=C(C2=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(C)C)C1=O |c:3,7,15,20|
OC(=O)CCCNc1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1Cc1ccccc1)c1nc(NCCC(O)=O)nc(Nc2ccc(Oc3ccccc3)cc2)n1
CCNc1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1Cc1ccccc1)c1nc(N)nc(Nc2ccc(Oc3ccccc3)cc2)n1
Oc1ccc(CCNc2nc3NCCOCCOCCOCCNc4nc(Nc5ccc(Oc6ccccc6)cc5)nc(n4)N4CCN(C(Cc5ccccc5)C4)c(n2)n3)cc1
Oc1ccc(CCNc2nc3NCCOCCOCCOCCOCCNc4nc(Nc5ccc(Oc6ccccc6)cc5)nc(n4)N4CCN(C(Cc5ccccc5)C4)c(n2)n3)cc1
CC(C)COc1ccc(NC(=O)CCN)c(C#Cc2cc(OCc3ccccc3)ccc2C(=O)NC(=O)C(O)=O)c1OCC(C)C
CC(C)(C)OC(=O)N(Cc1ccccc1)c1nc(NCC(O)=O)c2ncn(Cc3cccc4ccccc34)c2n1
Cc1cc(cc(C)c1Cl)-c1ccc(C(O)=O)c(OCc2ccccc2)c1
[H][C@]1(Cc2cc(Br)c(OCc3ccc(cc3)-c3ccccc3)c(Br)c2CC1Cc1ccc(cc1)C#N)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O |r|
[H][C@]1(Cc2cc(Br)c(OCc3ccc(cc3)-c3ccccc3)c(Br)c2CC1Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O |r|
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)NC(=O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
Cc1cc(cc(C)c1Cl)S(=O)(=O)N1CC(Cc2ccccc12)C(O)=O
CC(C)CN1C[C@@H](Oc2ccc(cc12)C(O)=O)c1ccc(Cl)cc1Cl |r|
Clc1ccc2c(CC[C@]22COc3ccc4cc3N(C2)CCCCCCOCCSNC4=O)c1 |r|
CN1CCCN[C@@H](Cc2ccc(cc2)[S+](C)[O-])CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(cc2)S(N)(=O)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(cc2)S(C)(=N)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r|
CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C
CN1CCCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r|
CN1CCCCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(\C=C\c4ccccc4)c3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(c3)-c3cc4ccccc4o3)CC1=O)C2=O |r|
CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl
CN1CCCN[C@@H](Cc2ccc(cc2)S(C)(=O)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(\C=C\c4ccccc4)c3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(cc2)S(C)(=O)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(c3)-c3cc4ccccc4o3)CC1=O)C2=O |r|
CN1CCCN[C@@H](Cc2ccc(cc2)S(C)(=O)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(c3)-c3ccc4ccccc4c3)CC1=O)C2=O |r|
CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
COc1c(SCC(O)=O)cc(NS(=O)(=O)c2cccc(Oc3ccccc3)c2)c2ccccc12
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1OCc1ccccc1
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1OCC1CCC1
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1OCC1CCCCC1
Cn1nc2CSCc3cnn(C)c3-c3c(Cl)ccc4c(CCCOc5cc(SCc1c2)cc1ccccc51)c(C(O)=O)n(C)c34
Cc1nn(C)c-2c1CSCc1cc(CSc3cc(OCCCc4c(C(O)=O)n(C)c5c-2c(Cl)ccc45)c2ccccc2c3)n(C)n1
Cc1nn(C)c-2c1CSCc1cc(CCc3cc(OCCCc4c(C([O-])=O)n(C)c5c-2c(Cl)ccc45)c2ccccc2c3)n(C)n1
COCCOCc1nn(C)c-2c1CSCc1cc(CCc3cc(OCCCc4c(C(O)=O)n(C)c5c-2c(Cl)ccc45)c2ccccc2c3)n(C)n1
Cc1nn(C)c-2c1CSCc1cc(CCc3cc(OCCCc4c(C([O-])=O)n(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
COCCOCc1nn(C)c-2c1CSCc1cc(CCc3cc(OCCCc4c(C(O)=O)n(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
COCCOCCc1nn(C)c-2c1CSCc1cc(CCc3cc(OCCCc4c(C(O)=O)n(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
Cn1nc2CSCc3cnn(C)c3-c3c(Cl)ccc4c(CCCOc5cc(CCc1c2)cc1cc(F)ccc51)c([nH]c34)C(O)=O
CN(C)CCn1c(C(O)=O)c2CCCOc3cc(CCc4cc(CSCc5cnn(C)c5-c5c(Cl)ccc2c15)nn4C)cc1cc(F)ccc31
COCCn1c(C(O)=O)c2CCCOc3cc(CCc4cc(CSCc5cnn(C)c5-c5c(Cl)ccc2c15)nn4C)cc1cc(F)ccc31
Cn1nc2CSCc3cnn(C)c3-c3c(Cl)ccc4c(CCCOc5cc(CCc1c2)cc1cc(F)ccc51)c(C(O)=O)n(CCN1CCOCC1)c34
COCCOCCn1c(C(O)=O)c2CCCOc3cc(CCc4cc(CSCc5cnn(C)c5-c5c(Cl)ccc2c15)nn4C)cc1cc(F)ccc31
COCCOCCn1nc(C)c-2c1CSCc1cc(CCc3cc(OCCCn4c(C(O)=O)c(C)c5c-2c(Cl)ccc45)c2ccc(F)cc2c3)n(C)n1
[H][C@@]12CC[C@H]1CN1C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc13)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)\C=C\[C@@H]2OC |r,t:42|
Cc1cc(SCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)nn1C
Cc1c2c(nn1C)CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)[nH]c3c-2cccc13
COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccccc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31
COc1ccccc1-c1nccc(COc2ccccc2C[C@H](Oc2ncnc3sc(-c4ccc(F)cc4)c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)C(=O)O)n1
CCC1CC/C=C/C(O)C2CCC2CN2CC3(CCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O
CC1C/C=C/C(O)C2CCC2CN2CC3(CCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)C1C
O=C(NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)N(CC1CCC1)CC(c1ccc(Cl)cc1Cl)O2
O=C(O)c1ccc2c(c1)N(CC1CCC1)CC(c1ccc(Cl)cc1Cl)CO2
O=C1NS(=O)(=O)CCOCCCCCCN2CC3(CCc4cc(Cl)ccc43)COc3ccc1cc32
O=C(O)c1ccc2c(c1)N(CC1CCC1)CC1(CCc3cc(Cl)ccc31)CO2
C#Cc1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)cc1C=O
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)NC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OC(C)(C)C(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
COc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
O=C1C[C@H]2CC[C@H](CC2)NC(=O)COc2c(Cl)cccc2COc2ccc(cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](c2ccccc2)N1
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OC(C)(C)C(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CC(C)C[C@@H]1NC(=O)C[C@H]2CC[C@H](CC2)NC(=O)COc2c(Cl)cccc2COc2ccc(cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)OC2
CCOc1cccc2c1OC(C)(C)C(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@](C)(c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccnc(OC)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CCSC)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H]([C@@H](C)OC)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N(C)[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N(c1ccccc1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N(Cc1ccccc1)CC(=O)NCCc1ccc(cc1)OC2
CCOc1cccc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N(c1ccccc1)CC(=O)N(Cc1ccccc1)CC(=O)NCCc1ccc(cc1)OC2
CCOc1cc(-c2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(-c2ccc(F)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(-c2ccc(F)c(OC)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(-c2ccc(C(F)(F)F)cc2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(C#Cc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(C#Cc2cc(F)cc(F)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(C#Cc2cccc(F)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(C#Cc2ccc(C(C)(C)C)cc2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(C#Cc2ccc(OC)cc2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cccc(C(F)(F)F)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cccc(Cl)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cccc3ccccc23)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1cccnc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H]([C@@H](C)OC)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)NC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(cc1)NC2
CCOc1cc(Oc2cc(C)cc(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)OC2
CCOc1cc(Oc2cc(C)c(Cl)c(C)c2)cc2c1OCC(=O)N[C@H]1CC[C@H](CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OC2
CN(C)C(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)/C(C#N)=C/c1ccccc1P(C)(C)=O
CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)CC)[C@@H](C)CC
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](Cc1nn[nH]n1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1(C)CCC/C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC/C=CCCC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O
CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC/C=CCCC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O
CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1COC/C=CCCC[C@@](C)(C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCn2cc(nn2)CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]1(C)CCC/C=CCCC[C@](C)(NC(=O)[C@@H](NC(=O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2OC)NC(C)=O)[C@@H](C)CC)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O
COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1C
COc1c(C)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COCc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC
COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC
COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC
COc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COc1c(OC[C@@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COc1c(OC[C@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c(cc(C(=O)O)n2C)c1OC
COc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COc1c(OC[C@@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COc1c(OC[C@H]2CCCO2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COc1c(O[C@H]2CCOC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
COc1c(O[C@@H]2CCOC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
CCOc1c(O[C@H]2CCOC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
CCOc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C
CC1(C)CC[C@@H](OC(=O)/C=C/c2ccccc2)C2C(C=O)C(C=O)C[C@H](O)[C@H]21
Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13
COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1 |r,wU:22.23,(38.75,-2.17,;37.42,-2.94,;37.43,-4.48,;38.76,-5.24,;38.77,-6.79,;37.44,-7.57,;36.1,-6.8,;36.1,-5.26,;34.77,-4.49,;34.76,-2.95,;33.42,-2.19,;32.09,-2.96,;32.11,-4.49,;30.78,-5.27,;30.79,-6.81,;29.46,-7.58,;28.12,-6.82,;26.79,-7.59,;26.79,-9.14,;28.12,-9.91,;29.46,-9.13,;30.8,-9.9,;30.8,-11.44,;32.13,-12.21,;32.14,-13.75,;30.81,-14.52,;30.81,-16.06,;32.14,-16.83,;33.49,-16.04,;34.95,-16.5,;35.84,-15.25,;34.92,-14.02,;35.38,-12.56,;34.34,-11.43,;34.79,-9.96,;36.3,-9.62,;36.76,-8.15,;38.26,-7.81,;39.31,-8.95,;40.81,-8.61,;41.85,-9.75,;43.35,-9.41,;43.82,-7.94,;45.32,-7.61,;42.78,-6.81,;41.27,-7.14,;37.35,-10.76,;38.85,-10.42,;36.88,-12.22,;37.93,-13.36,;33.47,-14.51,;37.37,-15.23,;38.15,-16.56,;39.69,-16.55,;40.45,-15.2,;41.99,-15.19,;39.65,-13.87,;38.12,-13.9,;29.47,-12.21,;28.13,-11.45,;29.47,-13.75,;33.44,-5.27,)|
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4COc4ccccc4)cccc23)cc(C)c1Cl
COc1ccccc1OCc1c(-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)[nH]c23)c(C(=O)NCC2CC2)nn1C
COc1cccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CC3)nn2C)c1
COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CC3)nn2C)cc1
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4COc4ccc(OC(F)(F)F)cc4)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4COc4ccc(C=O)cc4)cccc23)cc(C)c1Cl
Cc1ccc2c(ccn2Cc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CC3)nn2C)c1
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4Cn4cc(C)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(C(=O)NCC5CC5)nn(C)c4Cn4cc(CCNC(=O)OC(C)(C)C)c5ccccc54)cccc23)cc(C)c1Cl
COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NCC3CCOCC3)nn2C)cc1
COc1ccc(CN(C)C(=O)c2nn(C)c(COc3ccc(OC)cc3)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)[nH]c23)cc1
COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)NC3CCOCC3)nn2C)cc1
COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)Nc3ccccc3F)nn2C)cc1
COc1ccc(OCc2c(-c3cccc4c(CCCOc5cc(C)c(Cl)c(C)c5)c(C(=O)O)[nH]c34)c(C(=O)N(C)CCNC(=O)OC(C)(C)C)nn2C)cc1
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4CN(C)c4ccccc4)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4Cn4ccc5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4ccc5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(C)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4ccc5c(C)cccc54)cccc23)cc(C)c1Cl
Cc1ccc2c(ccn2Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c1
COc1cccc2c1ccn2Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)O)n(CCN3CCOCC3)c12
COc1ccc2c(ccn2Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c1
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNCC(N)=O)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)CC(F)(F)F)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)CCC(F)(F)F)c5ccccc54)cccc23)cc(C)c1Cl
C=CC(=O)NCCc1cn(Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c2ccccc12
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(F)cc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(Cl)cc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(Br)cc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccccc5Br)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5cccc(Br)c5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(OC(F)(F)F)cc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccc(C=O)cc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccncn5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccoc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1ccccc1C(=O)NCCc1cn(Cc2ccccc2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)O)n(CCN4CCOCC4)c23)c2ccccc12
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccccc5C(F)(F)F)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5ccncc5F)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNC(=O)c5c(C)cccc5F)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCNS(=O)(=O)c5ccc(F)cc5)c5ccccc54)cccc23)cc(C)c1Cl
Cc1cc(OCCCc2c(C(=O)O)n(CCN3CCOCC3)c3c(-c4ccccc4Cn4cc(CCN(CCN5CCOCC5)S(=O)(=O)c5ccc(F)cc5)c5ccccc54)cccc23)cc(C)c1Cl
C=CC(=O)N(c1ccc(O[C@@H]2CC[C@@H](N)C2)cc1)[C@@H](C)c1ccc(C(F)(F)F)c(C#N)c1
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)Cl)c4)cc3)CC2)=C(c2ccc(Cl)cc2)C1
CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:5.5,wD:2.1,t:48,(-3.85,-16.17,;-2.52,-15.4,;-2.52,-13.86,;-1.18,-13.09,;-1.18,-11.55,;-2.52,-10.78,;-2.52,-9.24,;-1.18,-8.47,;-1.18,-6.93,;-2.52,-6.16,;-2.52,-4.62,;-1.18,-3.85,;.15,-4.62,;.15,-6.16,;1.48,-6.93,;2.82,-6.16,;1.48,-8.47,;-1.18,-2.31,;-2.72,-2.31,;.36,-2.31,;-1.18,-.77,;-2.52,,;-3.85,-.77,;-2.52,1.54,;-3.85,2.31,;-3.85,3.85,;-2.52,4.62,;-1.18,3.85,;-1.18,2.31,;.15,1.54,;1.48,2.31,;1.48,3.85,;2.82,4.62,;4.15,3.85,;5.61,4.33,;6.52,3.08,;5.61,1.83,;4.15,2.31,;2.82,1.54,;-2.52,6.16,;-3.85,6.93,;-3.85,8.47,;-2.52,9.24,;-2.52,10.78,;-1.18,11.55,;-1.18,13.09,;.15,13.86,;1.48,13.09,;2.25,14.42,;3.02,13.09,;1.48,11.55,;.15,10.78,;-2.52,13.86,;-3.85,13.09,;-5.19,13.86,;-5.19,15.4,;-6.52,16.17,;-3.85,16.17,;-2.52,15.4,;-1.18,8.47,;-1.18,6.93,;-3.85,-11.55,;-3.85,-13.09,)|
Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8|