1634 SMILES Strings for Glucose-dependent insulinotropic receptor

Compound Name
SMILES String
C=CCC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |c:5|
C=CCOC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC#CCn1c(nc2n(C)c(=O)n(CC3CCN(CC3)C(=O)OC(C)C)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)Nc3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(c[nH]3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(cs3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3ncc(o3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(cs3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(no3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(ns3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(C)cn3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(F)cn3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(cn3)C(F)(F)F)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3noc(n3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|
CC(=C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC(=O)NC(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F
CC(=O)NCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(=O)Nc1nc(ns1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(=O)Nc1nnc(s1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(=O)c1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)COC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC(C)(C)COC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)COC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)COC(=O)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)N1C2CCC1CC(C2)Nc1nc(Nc2ccc(cc2F)S(C)(=O)=O)nc2CCCCc12 |THB:15:13:9.10:7|
CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
CC(C)(C)OC(=O)N1CC2(C1)CN(C2)c1ncc(OCc2ccncc2C#N)cn1
CC(C)(C)OC(=O)N1CC2CC(Nc3ncnc(Nc4ccc(cc4)S(C)(=O)=O)c3[N+]([O-])=O)C1C2 |TLB:5:7:10.11:34,THB:12:11:7.8:34|
CC(C)(C)OC(=O)N1CC2CC(Nc3ncnc(Nc4ccc(cc4F)S(C)(=O)=O)c3[N+]([O-])=O)C1C2 |TLB:5:7:10.11:35,THB:12:11:7.8:35|
CC(C)(C)OC(=O)N1CC2CC(Oc3ncnc(Nc4ccc(cc4)S(C)(=O)=O)c3[N+]([O-])=O)C1C2 |TLB:5:7:10.11:34,THB:12:11:7.8:34|
CC(C)(C)OC(=O)N1CC2CC(Oc3ncnc(Nc4ccc(cc4F)S(C)(=O)=O)c3[N+]([O-])=O)C1C2 |TLB:5:7:10.11:35,THB:12:11:7.8:35|
CC(C)(C)OC(=O)N1CC2CC1CC2Nc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O |TLB:14:13:7.8:10,THB:5:7:12.13:10|
CC(C)(C)OC(=O)N1CC2CC1CC2Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |TLB:14:13:7.8:10,THB:5:7:12.13:10|
CC(C)(C)OC(=O)N1CC2CC1CC2Oc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O |THB:14:13:10:8.7,5:7:10:12.13|
CC(C)(C)OC(=O)N1CC2CC1CC2Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |THB:14:13:10:8.7,5:7:10:12.13|
CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1CC2CCC1CC2Nc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O |TLB:15:14:11.10:7.8,THB:5:7:14.13:11.10|
CC(C)(C)OC(=O)N1CC2CCC1CC2Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |THB:5:7:10.11:14.13,15:14:10.11:8.7|
CC(C)(C)OC(=O)N1CC2CCC1CC2Oc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O |TLB:15:14:10.11:8.7,THB:5:7:14.13:10.11|
CC(C)(C)OC(=O)N1CC2CCC1CC2Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |THB:5:7:10.11:14.13,15:14:10.11:8.7|
CC(C)(C)OC(=O)N1CCC(=CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1nc(COc2ccc(cc2)S(C)(=O)=O)cs1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1nc(COc2ccc(cc2Cl)-n2cnnn2)cs1 |c:10|
CC(C)(C)OC(=O)N1CCC(=CC1)c1nc(COc2ccc(cc2F)-n2cnnn2)cs1 |c:10|
CC(C)(C)OC(=O)N1CCC(CC1)C(O)COC(=O)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1cc(ncn1)C#N
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(cc1)C(N)=O
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1cccc(c1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ccccn1
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1cccnc1
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ccnc(n1)C#N
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ccncn1
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1cnccn1
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1ncccn1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1c(F)cc(cc1F)-c1cnco1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cc(F)c(-c2cnco2)c(F)c1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(-c2cnco2)c(F)c1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(-c2cnco2)c(N)c1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(-c2cnco2)c(c1)[N+]([O-])=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(c(Cl)c1)-n1cnc(c1)-c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(c(F)c1)-c1ccncc1C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(C#N)c(F)c1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(CC#N)cc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(CO)cc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(CS(C)(=O)=O)cc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(O)nc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)N1CCOCC1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cn1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(nc1)C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(nc1)C(O)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(s1)C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccccc1C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cccnc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccco1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cccs1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccnnc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccno1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccoc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccsc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cn[nH]c1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cncc(c1)C#N
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cncnc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cncs1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cocn1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1nccs1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ncon1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1nnc(N)s1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1nnco1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1noc(Cc2ccccc2)n1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ocnc1I
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1cccc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1cccn1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1ccnc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1cnc(c1)-c1ccccc1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1cnc(c1)-c1ccncn1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1cncn1
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)N1NNN=C1 |c:31|
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1F)-c1cnco1
CC(C)(C)OC(=O)N1CCC(CC1)N(CC1CC1)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(NC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(OC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(OC2CN(C2)S(C)(=O)=O)ncn1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(OCC2CN(C2)S(C)(=O)=O)ncn1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(O[C@H]2CC[C@@H](CC2)S(C)(=O)=O)ncn1)C(F)(F)F |r,wU:18.18,wD:21.25,(22.64,-7.43,;22.65,-8.97,;23.98,-8.19,;23.68,-10.12,;21.14,-9.28,;20.12,-8.13,;20.61,-6.67,;18.61,-8.44,;18.13,-9.9,;16.62,-10.22,;15.6,-9.06,;16.07,-7.6,;17.59,-7.29,;14.09,-9.37,;13.07,-8.23,;11.56,-8.54,;10.54,-7.4,;9.03,-7.72,;8,-6.57,;6.5,-6.9,;5.47,-5.75,;5.96,-4.28,;7.46,-3.97,;8.49,-5.11,;4.92,-3.13,;5.41,-1.67,;3.83,-4.22,;3.43,-2.73,;11.01,-5.93,;12.51,-5.61,;13.55,-6.76,;13.61,-10.83,;14.94,-11.6,;13.61,-12.37,;12.11,-11.15,)|
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)Nc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2c(Nc3ccc(cc3)S(C)(=O)=O)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2c(Nc3ccc(cc3F)C#N)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1ccc(cc1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1ccc(cc1Cl)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1ccc(cc1F)C#N
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)c1cn(nn1)-c1nc2ccccc2s1
CC(C)(C)OC(=O)N1CCC(CC1)OC1CCC(CC1)Oc1ccc(cc1)S(C)(=O)=O |(4,-5.09,;4,-3.86,;5.06,-4.47,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-8,-1.56,;-7.99,-3.1,;-9.32,-3.88,;-9.31,-5.42,;-7.97,-6.18,;-6.64,-5.4,;-6.65,-3.86,;-7.96,-7.72,;-7.95,-8.96,;-9.02,-8.35,;-6.88,-8.33,)|
CC(C)(C)OC(=O)N1CCC(CC1)OC1CCCC(C1)Oc1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)OCc1nc(no1)-c1ccncc1
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(c(F)c1)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;7.74,-1.37,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;5.34,-1.53,;6.67,-.76,;6.67,.78,;5.33,1.55,;4,.77,;8,1.56,;9.06,2.18,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;5.34,-1.53,;6.67,-.76,;6.67,.78,;5.33,1.55,;4,.77,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1F)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;5.34,-2.76,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(nn1)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;5.34,-1.53,;6.67,-.76,;6.67,.78,;5.33,1.55,;4,.77,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)C#N |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;5.34,-1.53,;6.67,-.76,;6.67,.78,;5.33,1.55,;4,.77,;8,1.56,;9.06,2.18,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;5.34,-1.53,;6.67,-.76,;6.67,.78,;5.33,1.55,;4,.77,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@H](CC1)Oc1ccc(cc1)S(C)(=O)=O |r,wU:14.14,17.21,(-.23,10.62,;-1.3,10.01,;-1.29,11.24,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;4,-.77,;5.34,-1.53,;6.67,-.76,;6.67,.78,;5.33,1.55,;4,.77,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)ncn1
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cccc2N(CCc12)c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cccc2n(ccc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(Nc3ccc(cc3F)C#N)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(noc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(-c3ccc(cc3F)S(C)(=O)=O)c(=O)[nH]c12 |(25.19,-11.96,;25.19,-13.5,;23.86,-14.27,;23.85,-12.72,;26.53,-14.27,;26.52,-15.81,;25.19,-16.58,;27.86,-16.58,;29.19,-15.81,;30.52,-16.58,;30.52,-18.12,;29.19,-18.9,;27.86,-18.12,;31.86,-18.88,;31.86,-20.42,;30.53,-21.19,;30.53,-22.74,;31.87,-23.51,;33.2,-22.74,;34.67,-23.22,;35.15,-24.68,;34.11,-25.82,;34.59,-27.29,;36.1,-27.61,;37.13,-26.45,;36.65,-24.99,;37.67,-23.85,;36.57,-29.07,;35.55,-30.22,;38.06,-28.66,;37.66,-30.15,;35.58,-21.96,;37.12,-21.96,;34.67,-20.71,;33.2,-21.19,)|
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(cnc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(nnc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)c1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)S(=O)c1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Sc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)Sc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)c1c[nH]c2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(ncnc12)N1CCCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)c1csc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2F)cs1
CC(C)(C)OC(=O)N1CCC(CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1
CC(C)(C)OC(=O)N1CCC(CC1)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1CCC(CC1)c1noc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)n1ccc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CC1)n1nnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
CC(C)(C)OC(=O)N1CCC(CC1)n1nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC(CCCC(=O)N2CCc3cc(ccc23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCC(=O)Nc2ccc3c(CCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCCCCOc2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCCCNc2ccc3c(CCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCCCOc2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCCN2CCc3cc(ccc23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCCNc2ccc3c(CCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCCOc2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3C(=O)CCc3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3C(=O)NCc3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3CCC(=O)c3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3CCS(=O)(=O)c3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3CNC(=O)c3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3OCCC(=O)c3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(CCCCC3=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(CCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(NNS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(OCCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(OCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3occ(O)c3c2)CC1
CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(c(F)c2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCCOc2ccc3c(CCS3(=O)=O)c2)CC1
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N2CCc3cc(ccc23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3c2ccc(c3Cl)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3c2ccc(c3F)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3cc(c(F)cc23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3cc(cc(Cl)c23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3cc(cc(F)c23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCc3cc(ccc23)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(CNc2ncnc3n(ncc23)-c2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(COC2CCC(=CC2)c2ccncc2C#N)CC1 |c:16|
CC(C)(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccc(cc2)S(C)(=O)=O)CC1 |r,wU:13.12,wD:16.19,(26.81,-3.26,;26.02,-4.59,;26.77,-5.93,;27.56,-4.59,;24.48,-4.57,;23.69,-5.89,;24.45,-7.23,;22.15,-5.87,;21.37,-7.2,;19.83,-7.18,;19.08,-5.84,;17.54,-5.82,;16.78,-4.48,;15.24,-4.47,;14.45,-5.8,;12.92,-5.79,;12.15,-4.44,;12.93,-3.11,;14.48,-3.13,;10.61,-4.43,;9.84,-5.75,;8.32,-5.74,;7.56,-4.41,;8.33,-3.1,;9.85,-3.1,;6.02,-4.4,;5.24,-5.73,;4.68,-3.62,;6.02,-2.85,;19.85,-4.51,;21.4,-4.53,)|
CC(C)(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccc(cc2F)S(C)(=O)=O)CC1 |r,wU:13.12,wD:16.19,(62.2,-33.59,;61.42,-34.91,;62.17,-36.25,;62.95,-34.91,;59.88,-34.9,;59.09,-36.22,;59.85,-37.57,;57.55,-36.21,;56.77,-37.54,;55.24,-37.52,;54.48,-36.18,;52.94,-36.17,;52.17,-34.84,;50.63,-34.83,;49.86,-36.16,;48.32,-36.15,;47.55,-34.81,;48.32,-33.48,;49.87,-33.49,;46.01,-34.81,;45.24,-36.13,;43.72,-36.12,;42.96,-34.79,;43.72,-33.48,;45.24,-33.48,;46.01,-32.14,;41.42,-34.79,;40.64,-36.13,;40.08,-34.02,;41.42,-33.25,;55.25,-34.85,;56.79,-34.87,)|
CC(C)(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccncc2C#N)CC1 |r,wU:13.12,wD:16.19,(22.56,-40.44,;21.78,-41.77,;22.54,-43.11,;23.32,-41.76,;20.24,-41.75,;19.46,-43.08,;20.22,-44.42,;17.92,-43.07,;17.14,-44.39,;15.6,-44.38,;14.84,-43.04,;13.3,-43.03,;12.54,-41.69,;11,-41.68,;10.22,-43.01,;8.69,-43.01,;7.92,-41.66,;8.69,-40.34,;10.23,-40.35,;6.38,-41.66,;5.61,-42.98,;4.08,-42.98,;3.32,-41.65,;4.08,-40.33,;5.61,-40.33,;6.37,-39,;7.14,-37.67,;15.61,-41.71,;17.16,-41.73,)|
CC(C)(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccncc2F)CC1 |r,wU:13.12,wD:16.19,(20.05,-48.02,;19.27,-49.34,;20.03,-50.69,;20.81,-49.34,;17.73,-49.33,;16.95,-50.66,;17.71,-52,;15.41,-50.64,;14.62,-51.97,;13.09,-51.96,;12.33,-50.61,;10.79,-50.61,;10.03,-49.27,;8.49,-49.26,;7.71,-50.59,;6.17,-50.58,;5.4,-49.24,;6.18,-47.91,;7.72,-47.92,;3.86,-49.24,;3.09,-50.56,;1.57,-50.56,;.81,-49.23,;1.57,-47.91,;3.1,-47.91,;3.86,-46.57,;13.1,-49.29,;14.65,-49.3,)|
CC(C)(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2cnc(cn2)S(C)(=O)=O)CC1 |r,wU:13.12,wD:16.19,(25.72,-11.07,;24.94,-12.4,;25.7,-13.74,;26.48,-12.39,;23.4,-12.38,;22.62,-13.71,;23.37,-15.05,;21.08,-13.69,;20.29,-15.02,;18.76,-15.01,;18,-13.67,;16.46,-13.66,;15.7,-12.32,;14.16,-12.31,;13.38,-13.64,;11.84,-13.63,;11.07,-12.29,;11.85,-10.96,;13.39,-10.97,;9.53,-12.29,;8.76,-13.61,;7.24,-13.61,;6.48,-12.28,;7.24,-10.96,;8.77,-10.96,;4.94,-12.27,;4.16,-13.6,;3.6,-11.49,;4.94,-10.72,;18.77,-12.34,;20.32,-12.35,)|
CC(C)(C)OC(=O)N1CCC(COc2ccc(nc2)-c2ccc(cc2)C(=O)N2CCCCO2)CC1
CC(C)(C)OC(=O)N1CCC(Cc2ncnc3n(ncc23)-c2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC(Cc2ncnc3n(ncc23)-c2ccc(cc2F)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC2(CC(=NO2)C(=O)Nc2cc(F)c(cc2F)C#N)CC1 |c:12|
CC(C)(C)OC(=O)N1CCC2(CC(CCCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
CC(C)(C)OC(=O)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
CC(C)(C)OC(=O)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
CC(C)(C)OC(=O)N1CCC2(CC(CCCOc3ccc(cc3F)S(C)(=O)=O)C2)CC1
CC(C)(C)OC(=O)N1CCC2(CC(CCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CCS(C)(=O)=O)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccc2)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccc2C(O)=O)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2cccnc2)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccncc2)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(C)(=O)=O)cc1
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCC2(CC2CCCOc2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC2(CC2CCOc2ccc(cc2)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCC2(CCC(CCCOc3ccc(cc3)S(C)(=O)=O)CC2)CC1
CC(C)(C)OC(=O)N1CCC2(CCC(CCOc3ccc(cc3)S(C)(=O)=O)CC2)CC1
CC(C)(C)OC(=O)N1CCC2(CCN(CC2)C(=O)Nc2ccc(cc2Br)S(C)(=O)=O)CC1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(cc1)C(F)(F)F
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(cc1Cl)C(F)(F)F
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(cc1F)C#N
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(cc1F)S(C)(=O)=O
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1nc2ccccc2s1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(OCc2ccc(cc2)S(C)(=O)=O)cc1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(OCc2ccc(cc2)S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(OCc2ccc(cc2)S(C)(=O)=O)nc1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(OCc2ccc(cc2)S(C)(=O)=O)nn1
CC(C)(C)OC(=O)N1CCN(CC1)c1cnc(OCc2ccc(cc2)S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1cnc(OCc2ccc(cc2)S(C)(=O)=O)nc1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2c(F)cncc2F)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)nn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2F)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2S(C)(=O)=O)cn1
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(cn1)-c1ccc(OCC#N)cc1
CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)-c2nc3ccc(cc3o2)C2=NNC(=O)C3CC23)CC1 |t:30|
CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(cc3)S(C)(=O)=O)cn2)C(C)(C)C1
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1 |r|
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1 |r|
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1 |r|
CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1 |r|
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1 |r|
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1 |r|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2Cl)C#N)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)C#N)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccccc2C#N)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Oc2ccccc2Cl)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10|
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Oc2ccccc2Cl)c1[N+]([O-])=O |r,@@:13,THB:15:13:7:9.10,5:7:9.10:14.13.12|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O |r,THB:15:13:7:9.10|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,THB:15:13:7:9.10|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O |r,TLB:15:13:7:9.10|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,TLB:15:13:7:9.10|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ncnc(Nc3ccc(cc3)S(C)(=O)=O)c1[N+]([O-])=O)C2 |r,TLB:14:13:7:9.10|
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ncnc(Nc3ccc(cc3F)S(C)(=O)=O)c1[N+]([O-])=O)C2 |r,TLB:14:13:7:9.10|
CC(C)(C)c1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
CC(C)(C)c1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
CC(C)(F)c1noc(n1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2F)C(N)=O)c1F
CC(C)(F)c1noc(n1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2F)C(O)=O)c1F
CC(C)(F)c1noc(n1)N1CCC(CC1)N(c1cc(OC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
CC(C)(F)c1noc(n1)N1CCC(COC2CCC(=CC2)c2ccc(cc2)S(C)(=O)=O)CC1 |c:19|
CC(C)(O)COC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC(C)(OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1)C(F)(F)F
CC(C)(OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O)C(F)F
CC(C)(OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1F)S(C)(=O)=O)C(F)F
CC(C)(OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
CC(C)C(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)C(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
CC(C)C1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:8|
CC(C)CCN1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)COC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C |TLB:11:10:7.12.13:15,5:7:15:9.10.16,THB:11:12:15:9.10.16,16:10:7:13.14.15,16:14:7:9.11.10,17:16:7.12.13:15|
CC(C)COC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC(C)COC(=O)N1CCC(CC1)Oc1cc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)ncn1
CC(C)COC(=O)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
CC(C)COC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)c1C
CC(C)COC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)COC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)COC(=O)N1CCC(CC1)n1cc(CNc2ccc(cc2F)S(C)(=O)=O)cn1
CC(C)COC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:15:13:7:9.10|
CC(C)N(C)C(=O)C1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(OCC(F)(F)F)nc2)C1=O |r|
CC(C)N1C(=O)c2cc(C)nc(Nc3ccc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cc(F)cc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3Cl)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3F)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3ccc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3F)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cccc(c3)N(C)S(=O)(=O)c3ccc(Cl)cc3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Oc3cccc(c3)S(=O)(=O)Nc3ccc(Cl)cc3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Sc3ccc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)N1C(=O)c2cc(C)nc(Sc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CC(C)NC(=O)CN1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CC(C)NC(=O)c1cc(F)c(cc1F)-c1cc2nnn(C3CCN(CC3)C(=O)OC(C)C)c2cn1
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2)-n2ccnn2)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2)-n2cnnn2)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)-n2cnnn2)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)C#N)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)C(=O)N(C)C)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
CC(C)OC(=O)N1CC(C1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CC(C)OC(=O)N1CC(COc2ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c2)C1
CC(C)OC(=O)N1CC2COC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C
CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2cccnc2C)c1C |THB:4:6:9.10.11:14|
CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
CC(C)OC(=O)N1CCC(C1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CC(C)OC(=O)N1CCC(CC1)C(C)CNC(=O)Cc1c(F)ccc(F)c1F
CC(C)OC(=O)N1CCC(CC1)N(C)c1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(c(F)c1)-n1cncn1
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1C#N
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-n1ccnc1C
CC(C)OC(=O)N1CCC(CC1)N1Cc2cn(nc2C1)-c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Nc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(nc1)S(C)(=O)=O |r,wU:16.20,wD:13.13,(-.23,10.62,;-1.3,10.01,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1ccc(nc1C)S(C)(=O)=O |r,wU:16.20,wD:13.13,(-.23,10.62,;-1.3,10.01,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;5.34,-2.76,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O |r,wU:16.20,wD:13.13,(-.23,10.62,;-1.3,10.01,;-2.36,10.63,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC(C)OC(=O)N1CCC(CC1)Oc1cc(Nc2ccc(cc2F)S(C)(=O)=O)ncn1
CC(C)OC(=O)N1CCC(CC1)Oc1cc(Nc2ccc(nc2C)S(C)(=O)=O)ncn1
CC(C)OC(=O)N1CCC(CC1)Oc1cc(Nc2ccc(nc2[N+]([O-])=O)S(C)(=O)=O)ncn1
CC(C)OC(=O)N1CCC(CC1)Oc1cc(Oc2ccc(cc2F)S(C)(=O)=O)ncn1
CC(C)OC(=O)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1cccc(c1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1cccc2N(CCc12)c1ccc(cc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1cccc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CC(C)OC(=O)N1CCC(CC1)Oc1ccnc(c1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ccnc(n1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1nc(C)nc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1nc(N)nc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(c(C)n2)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1C#N
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1C(F)F
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1C1CC1
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1CO
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1F
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1OC(C)C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ccc(nc2C)S(C)(=O)=O)c1OC(F)F
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2cccnc2)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2cccnc2C)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2cnc(cc2C)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Nc2ncc(cc2C)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(C)nc2C)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccncc2C)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cnc(cc2C)S(C)(=O)=O)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cncc(F)c2)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cncc(c2)C#N)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cnccc2C)c1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(n1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(C(C)Cc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(C#N)c(F)c1
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(F)cn1
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(c(F)c1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(c(F)c1)S(C)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1)S(=O)N(C)C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1C)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)-c1cccn1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)-c1nccs1
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)C#N
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cn1)C#N
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cn1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(nc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1cccnc1C
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(noc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)S(=O)(=O)c1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)Sc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)n1cc(CNc2ccc(cc2F)S(C)(=O)=O)cn1
CC(C)OC(=O)N1CCC(CC1)n1cc(CNc2ccc(nc2C)S(C)(=O)=O)cn1
CC(C)OC(=O)N1CCC(CC1)n1cc2CN(Cc2n1)c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(Oc3ccc(cc3)S(C)(=O)=O)ncc12
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(Oc3cccc(c3)S(C)(=O)=O)ncc12
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)N(C)C
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)NCCO
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1cc(F)c(cc1F)C(N)=O
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1F)C(N)=O
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(nc1)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)n1ncc2ccc(nc12)-c1cc(F)c(cc1F)S(C)(=O)=O
CC(C)OC(=O)N1CCC(CC1)n1nnc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)N1CCC1
CC(C)OC(=O)N1CCC(CC1)n1nnc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)N1CCCC1
CC(C)OC(=O)N1CCC(CCCCCOc2ccc(cc2)C(=O)N(C)C)CC1
CC(C)OC(=O)N1CCC(CCNC(=O)Cc2c(F)ccc(F)c2F)CC1
CC(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccc(cc2)S(C)(=O)=O)CC1 |r,wU:12.11,wD:15.18,(62.42,-26.31,;61.64,-27.63,;62.4,-28.97,;60.1,-27.62,;59.32,-28.94,;60.08,-30.28,;57.78,-28.93,;57,-30.26,;55.46,-30.24,;54.7,-28.9,;53.16,-28.89,;52.4,-27.56,;50.86,-27.55,;50.08,-28.88,;48.55,-28.87,;47.78,-27.53,;48.55,-26.2,;50.09,-26.21,;46.24,-27.53,;45.47,-28.85,;43.94,-28.84,;43.18,-27.51,;43.94,-26.2,;45.47,-26.2,;41.64,-27.51,;40.87,-28.85,;40.31,-26.74,;41.65,-25.97,;55.47,-27.57,;57.02,-27.59,)|
CC(C)OC(=O)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccc(cc2F)S(C)(=O)=O)CC1 |r,wU:12.11,wD:15.18,(61.77,-3.99,;60.99,-5.32,;61.75,-6.66,;59.45,-5.3,;58.67,-6.63,;59.42,-7.97,;57.13,-6.62,;56.34,-7.94,;54.81,-7.93,;54.05,-6.59,;52.51,-6.58,;51.75,-5.24,;50.21,-5.23,;49.43,-6.56,;47.89,-6.56,;47.12,-5.21,;47.9,-3.89,;49.44,-3.89,;45.58,-5.21,;44.81,-6.53,;43.29,-6.53,;42.53,-5.2,;43.29,-3.88,;44.82,-3.88,;45.59,-2.55,;41,-5.19,;40.22,-6.53,;39.66,-4.42,;41,-3.65,;54.82,-5.26,;56.37,-5.27,)|
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)C(=O)N(C)C)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)C(=O)c2ccco2)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)C(C)=O)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)C(C)C)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)C2CCCCC2)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)N2CCCCC2)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)c2cccnc2)CC1
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)c2cccs2)CC1
CC(C)OC(=O)N1CCC(COc2ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c2)C1
CC(C)OC(=O)N1CCC(COc2ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)N(C)C4CC4)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)N4CC(O)C4)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)N4CCC4)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)N4CCCC4)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)NC4CC4)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)NCC(N)=O)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(N)=O)c(F)c3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(cn3)C(=O)NC3CC3)C2)CC1
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(nc3)C(=O)NC3CC3)C2)CC1
CC(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
CC(C)OC(=O)N1CCCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CC(C)OC(=O)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1 |r|
CC(C)OC(=O)N1CC[C@@H]([C@H](F)C1)N(C1CC1)C(=O)c1ccc(c(F)c1)-n1cncn1 |r|
CC(C)OC(=O)N1CC[C@H]([C@@H](F)C1)N(C1CC1)C(=O)c1ccc(c(F)c1)-n1cncn1 |r|
CC(C)OC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r|
CC(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r|
CC(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@H]2Oc1ncnc(Oc2cccnc2C)c1C |r|
CC(C)OC(=O)N1[C@@H]2CC(C[C@@H]1C1CC21)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:15:9:6:14.12,13:14:6:9.8.10,13:12:6:9.8.10|
CC(C)OC(=O)N1[C@@H]2CC(C[C@@H]1C=C2)Oc1ncnc(Oc2cccnc2C)c1C |r,c:13,THB:14:9:6:13.12|
CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:12,THB:14:12:6:8.9|
CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:12,THB:14:12:6:8.9|
CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:14:12:6:8.9|
CC(C)OC(=S)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CC(C)S(=O)(=O)Cc1ccc(cc1)-c1ccc2OC3(CCN(CC3)C(=O)OC(C)(C)C)CCc2c1
CC(C)S(=O)(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)S(=O)(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)S(=O)(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:14:12:6:8.9|
CC(C)S(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)OC(C)(C)C)cn1 |r,wU:11.10,wD:14.17,(10.4,1.41,;9.33,.79,;9.34,-.44,;8,1.56,;7.99,2.79,;9.06,2.18,;6.67,.78,;5.33,1.55,;4,.77,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;-1.3,10.01,;-.23,10.62,;-1.29,11.24,;-2.36,10.63,;5.34,-1.53,;6.67,-.76,)|
CC(C)SC(=O)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)SC(=O)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)[S+]([O-])CCO
CC(C)SC(=O)N1CCC(CC1)Oc1cc(ncn1)N1CCc2ccccc12
CC(C)SC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CC(C)SC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)c1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1 |r,wU:25.27,22.23,(41.9,-21.14,;40.57,-20.37,;39.23,-21.14,;40.57,-18.83,;39.24,-18.06,;37.91,-18.84,;36.57,-18.07,;36.57,-16.52,;35.23,-15.75,;33.9,-16.52,;33.9,-18.07,;35.23,-18.84,;35.23,-20.38,;32.57,-15.75,;31.23,-16.52,;31.79,-14.42,;33.34,-14.41,;39.23,-16.53,;40.55,-15.75,;41.9,-16.52,;41.9,-18.06,;43.23,-18.83,;44.57,-18.06,;44.56,-16.53,;45.9,-15.76,;47.24,-16.53,;47.39,-15,;48.89,-14.67,;49.67,-15.99,;51.15,-15.59,;50.76,-17.08,;48.65,-17.14,;47.23,-18.07,;45.9,-18.84,)|
CC(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
CC(C)c1nc(CN2CCC(CC2)O[C@H]2CC[C@@H](CC2)Oc2cnc(cn2)S(C)(=O)=O)no1 |r,wU:17.21,wD:14.14,(3.13,7.65,;2.64,8.78,;3.38,9.77,;1.11,8.96,;.08,7.82,;-1.31,8.47,;-2.65,7.7,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;-1.15,9.99,;.35,10.3,)|
CC(C)c1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(c(F)c2)S(C)(=O)=O)c1[N+]([O-])=O
CC(C)c1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(=O)(=O)C(C)C)c1[N+]([O-])=O
CC(C)c1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
CC(C)c1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2F)S(=O)(=O)C(C)C)c1[N+]([O-])=O
CC(C)c1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O
CC(C)c1nc(no1)C(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CC(C)c1nc(no1)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
CC(C)c1nc(no1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
CC(C)c1nc(no1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
CC(C)c1nc(no1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1 |r|
CC(C)c1nnc(o1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
CC(C)c1noc(CN2CCC(CC2)O[C@H]2CC[C@@H](CC2)Oc2cnc(cn2)S(C)(=O)=O)n1 |r,wU:18.22,wD:15.15,(3.13,7.65,;2.64,8.78,;3.38,9.77,;1.11,8.96,;.35,10.3,;-1.15,9.99,;-1.31,8.47,;-2.65,7.7,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.08,7.82,)|
CC(C)c1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
CC(C)c1noc(n1)-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CC(C)c1noc(n1)C1CCN(CC1)c1ccc(cn1)-c1cc(C)c(cc1C#N)C#N
CC(C)c1noc(n1)C1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CC(C)c1noc(n1)N1CCC(CC(F)CNc2ccc3CCC(=O)c3c2)CC1
CC(C)c1noc(n1)N1CCC(CC1)N(c1cc(OC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
CC(C)c1noc(n1)N1CCC(CC1)N(c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O)C(F)(F)F
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)C1CCCCC1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N(C)C(C)=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CC(O)CCC1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCC(O)CC1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCCC(O)C1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCCC1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCCCC1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCCNS1(=O)=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCCS1(=O)=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCC[C@@H](O)C1=O |r|
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCC[C@H](O)C1=O |r|
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCOCC1=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)S(=O)(=O)CCO
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)[S+]([O-])CCO
CC(C)c1noc(n1)N1CCC(CC1)Oc1nc(C)nc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)c1noc(n1)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1 |r|
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
CC(C)c1noc(n1)N1CCC(CCCNc2ccc3CCC(=O)c3c2)CC1
CC(C)c1noc(n1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
CC(C)c1noc(n1)N1CCC(CO[C@H]2CC[C@@H](CC2)c2ccc(cc2F)S(C)(=O)=O)CC1 |r,wU:14.14,wD:17.21,(62.03,-13.87,;60.63,-13.23,;60.48,-11.7,;59.38,-14.13,;59.36,-15.67,;57.89,-16.13,;57,-14.88,;57.91,-13.64,;55.46,-14.87,;54.67,-16.2,;53.14,-16.18,;52.38,-14.84,;50.84,-14.83,;50.08,-13.49,;48.54,-13.49,;47.76,-14.82,;46.23,-14.81,;45.46,-13.47,;46.23,-12.14,;47.77,-12.15,;43.92,-13.47,;43.15,-14.79,;41.62,-14.78,;40.86,-13.45,;41.62,-12.14,;43.15,-12.14,;43.92,-10.8,;39.32,-13.45,;38.54,-14.79,;37.99,-12.67,;39.32,-11.91,;53.15,-13.51,;54.7,-13.53,)|
CC(C)c1noc(n1)N1CCC(COc2ccc(cc2)-c2ccc(nc2)S(C)(=O)=O)CC1
CC(C)c1noc(n1)N1CCC(COc2ccc(nc2)-c2ccc(cc2)S(C)(=O)=O)CC1
CC(C)c1noc(n1)N1CCC(O)CC1
CC(C)c1noc(n1)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1 |r|
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1 |r|
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1 |r|
CC(C)c1nsc(n1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
CC(CC1CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N1CCc2cc(ccc12)S(C)(=O)=O
CC(CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1c(F)cccc1F)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1cc(F)ccc1F)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1ccc(cc1)-n1cnnn1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1ccc(cc1)S(C)(=O)=O)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1cccc(F)c1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1cccc(F)c1F)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1ccccc1)C1CCN(CC1)C(=O)OC(C)(C)C
CC(CNC(=O)Cc1ccccc1F)C1CCN(CC1)C(=O)OC(C)(C)C
CC(COC(=O)N1CCc2cc(cc(F)c12)S(C)(=O)=O)C1CCN(CC1)C(=O)OC(C)(C)C
CC(COC(=O)N1CCc2cc(ccc12)S(C)(=O)=O)C1CCN(CC1)C(=O)OC(C)(C)C
CC(Cc1ccccc1)(c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
CC(F)Cc1nc(CN2CCC(CC2)O[C@H]2CC[C@@H](CC2)Oc2cnc(cn2)S(C)(=O)=O)no1 |r,wU:18.22,wD:15.15,(2.52,6.38,;3.26,7.37,;4.48,7.23,;2.64,8.78,;1.11,8.96,;.08,7.82,;-1.31,8.47,;-2.65,7.7,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;-1.15,9.99,;.35,10.3,)|
CC(F)Cc1noc(CN2CCC(CC2)O[C@H]2CC[C@@H](CC2)Oc2cnc(cn2)S(C)(=O)=O)n1 |r,wU:19.23,wD:16.16,(2.52,6.38,;3.26,7.37,;4.48,7.23,;2.64,8.78,;1.11,8.96,;.35,10.3,;-1.15,9.99,;-1.31,8.47,;-2.65,7.7,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.08,7.82,)|
CC(F)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CC(O)c1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
CC(OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C)C1CC1 |r,THB:13:11:5:7.8|
CC(O[C@H]1CC[C@@]2(CC1)CC(C)(C)CCO2)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,(46.13,-6.74,;46.15,-8.28,;47.56,-8.91,;48.81,-8.01,;48.65,-6.47,;49.91,-5.56,;51.33,-6.2,;51.47,-7.74,;50.23,-8.64,;52.66,-6.97,;53.98,-6.2,;55.51,-6.2,;54.75,-7.53,;53.98,-4.67,;52.66,-3.9,;51.32,-4.67,;44.9,-9.19,;43.43,-8.71,;42.52,-9.97,;43.43,-11.22,;44.9,-10.73,;40.97,-9.97,;40.21,-8.63,;38.66,-8.63,;37.89,-9.97,;36.36,-9.97,;35.58,-8.64,;34.04,-8.65,;35.97,-7.15,;37.06,-8.23,;38.67,-11.3,;37.89,-12.64,;40.21,-11.3,)|
CC(O[C@H]1CC[C@@]2(CC1)CCC(C)(C)CO2)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,(17.55,-7.44,;17.57,-8.98,;18.98,-9.61,;20.23,-8.71,;20.07,-7.17,;21.33,-6.26,;22.75,-6.9,;22.9,-8.44,;21.65,-9.34,;24.08,-7.67,;25.4,-6.9,;25.41,-5.37,;26.17,-4.03,;26.94,-5.36,;24.08,-4.6,;22.74,-5.37,;16.32,-9.89,;14.85,-9.41,;13.94,-10.66,;14.85,-11.92,;16.32,-11.43,;12.4,-10.66,;11.63,-9.33,;10.08,-9.33,;9.32,-10.67,;7.78,-10.67,;7,-9.34,;5.47,-9.35,;7.39,-7.84,;8.49,-8.93,;10.09,-12,;9.31,-13.34,;11.63,-12,)|
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(C(=O)N(C)C)c(F)c1 |r,wU:6.6,3.2,(74.53,-5.31,;74.54,-6.86,;75.95,-7.48,;77.2,-6.58,;77.04,-5.05,;78.3,-4.14,;79.71,-4.78,;79.63,-3.24,;81.07,-2.68,;82.03,-3.88,;83.36,-3.09,;83.37,-4.64,;81.2,-5.17,;79.86,-6.31,;78.61,-7.21,;73.3,-7.76,;71.83,-7.28,;70.92,-8.53,;71.83,-9.78,;73.3,-9.3,;69.38,-8.53,;68.62,-7.2,;67.07,-7.2,;66.31,-8.54,;64.77,-8.54,;64.01,-9.87,;64,-7.21,;64.76,-5.88,;62.46,-7.22,;67.08,-9.86,;66.3,-11.2,;68.62,-9.86,)|
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CC(=O)N(C)C)c(F)c1 |r,wU:6.6,3.2,(19.89,-19.94,;19.91,-21.49,;21.32,-22.11,;22.57,-21.21,;22.41,-19.68,;23.66,-18.77,;25.08,-19.41,;25,-17.87,;26.44,-17.31,;27.4,-18.5,;28.73,-17.72,;28.74,-19.26,;26.57,-19.8,;25.23,-20.94,;23.98,-21.84,;18.67,-22.39,;17.2,-21.91,;16.29,-23.16,;17.2,-24.41,;18.67,-23.93,;14.75,-23.16,;13.98,-21.83,;12.44,-21.83,;11.67,-23.17,;10.14,-23.17,;9.36,-21.84,;10.13,-20.51,;7.83,-21.85,;7.06,-20.52,;7.07,-23.18,;12.44,-24.49,;11.67,-25.83,;13.98,-24.49,)|
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.6,3.2,(48.16,-18.86,;48.18,-20.4,;49.59,-21.02,;50.84,-20.12,;50.68,-18.59,;51.94,-17.69,;53.35,-18.32,;53.27,-16.78,;54.71,-16.22,;55.67,-17.42,;57,-16.64,;57.01,-18.18,;54.84,-18.72,;53.5,-19.86,;52.25,-20.75,;46.94,-21.3,;45.47,-20.83,;44.56,-22.08,;45.47,-23.33,;46.94,-22.85,;43.02,-22.08,;42.25,-20.74,;40.71,-20.75,;39.94,-22.08,;38.41,-22.09,;37.63,-20.75,;36.1,-20.76,;38.02,-19.26,;39.12,-20.35,;40.71,-23.41,;39.94,-24.74,;42.25,-23.41,)|
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)cc1 |r,wU:6.6,3.2,(46.78,-32.56,;46.79,-34.1,;48.2,-34.73,;49.45,-33.83,;49.29,-32.29,;50.55,-31.39,;51.97,-32.02,;51.88,-30.49,;53.32,-29.93,;54.28,-31.12,;55.62,-30.34,;55.62,-31.88,;53.45,-32.42,;52.11,-33.56,;50.87,-34.45,;45.55,-35,;44.09,-34.53,;43.18,-35.78,;44.08,-37.03,;45.55,-36.55,;41.63,-35.78,;40.87,-37.11,;39.33,-37.11,;38.56,-35.78,;37.02,-35.79,;36.25,-34.45,;34.72,-34.47,;36.64,-32.97,;37.73,-34.05,;39.32,-34.45,;40.87,-34.45,)|
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O |r,wU:6.6,3.2,(17.78,-31.67,;18.69,-32.91,;20.22,-32.75,;20.85,-31.34,;19.93,-30.1,;20.56,-28.69,;22.1,-28.52,;21.25,-27.23,;22.22,-26.03,;23.65,-26.57,;24.41,-25.23,;25.19,-26.56,;23.58,-28.11,;23,-29.77,;22.38,-31.17,;18.07,-34.32,;16.57,-34.65,;16.41,-36.18,;17.82,-36.8,;18.85,-35.65,;15.08,-36.96,;13.75,-36.2,;12.42,-36.97,;12.42,-38.51,;13.75,-39.28,;13.75,-40.82,;15.09,-38.51,;11.08,-39.28,;9.75,-38.51,;11.84,-40.61,;10.3,-40.6,)|
CC(O[C@H]1CC[C@]2(CC(C)(C)CO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.12,3.2,(72.12,-46.46,;72.13,-48,;73.54,-48.62,;74.79,-47.72,;74.63,-46.19,;75.89,-45.28,;77.3,-45.92,;78.79,-46.31,;79.62,-45.02,;80.96,-44.23,;80.96,-45.78,;78.66,-43.82,;77.22,-44.38,;77.45,-47.46,;76.2,-48.35,;70.89,-48.9,;69.42,-48.43,;68.51,-49.68,;69.42,-50.93,;70.89,-50.44,;66.97,-49.68,;66.2,-48.34,;64.66,-48.35,;63.89,-49.68,;62.36,-49.68,;61.58,-48.35,;60.05,-48.36,;61.97,-46.86,;63.07,-47.95,;64.66,-51.01,;63.89,-52.34,;66.2,-51.01,)|
CC(O[C@H]1CC[C@]2(CCCCO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.11,3.2,(18.4,-20.13,;18.41,-21.67,;19.83,-22.3,;21.08,-21.39,;20.91,-19.86,;22.17,-18.95,;23.59,-19.59,;24.92,-20.35,;26.24,-19.59,;26.24,-18.06,;24.92,-17.29,;23.59,-18.06,;23.74,-21.13,;22.49,-22.02,;17.17,-22.57,;15.7,-22.1,;14.79,-23.35,;15.7,-24.6,;17.17,-24.12,;13.25,-23.35,;12.48,-22.01,;10.94,-22.02,;10.17,-23.35,;8.63,-23.36,;7.85,-22.02,;6.32,-22.03,;8.25,-20.53,;9.34,-21.62,;10.94,-24.68,;10.17,-26.02,;12.48,-24.68,)|
CC(O[C@H]1CC[C@]2(CCCO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.10,3.2,(75.67,-5.53,;75.68,-7.07,;77.09,-7.69,;78.34,-6.79,;78.18,-5.26,;79.44,-4.35,;80.86,-4.99,;82.35,-5.38,;83.17,-4.09,;82.21,-2.89,;80.77,-3.45,;81,-6.53,;79.76,-7.42,;74.44,-7.97,;72.97,-7.5,;72.06,-8.75,;72.97,-10,;74.44,-9.52,;70.52,-8.75,;69.75,-7.41,;68.21,-7.42,;67.44,-8.75,;65.91,-8.76,;65.13,-7.42,;63.6,-7.43,;65.52,-5.93,;66.62,-7.02,;68.21,-10.08,;67.44,-11.41,;69.75,-10.08,)|
CC1(C)CC(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |c:4|
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Nc1cc(Nc2ccc(cc2F)S(C)(=O)=O)ncn1 |r,wU:4.4,9.13,(74.67,-14.14,;73.18,-14.54,;74.28,-15.62,;72.16,-15.69,;70.76,-15.07,;70.91,-13.54,;72.41,-13.21,;69.42,-14.3,;68.08,-15.07,;68.09,-16.6,;69.42,-17.38,;70.74,-16.62,;66.75,-17.38,;65.42,-16.61,;64.09,-17.38,;62.76,-16.61,;61.42,-17.38,;60.09,-16.61,;60.08,-15.06,;58.75,-14.3,;57.42,-15.07,;57.42,-16.61,;58.75,-17.38,;58.75,-18.93,;56.08,-14.3,;54.75,-15.07,;55.31,-12.96,;56.85,-12.96,;62.75,-15.07,;64.07,-14.3,;65.42,-15.06,)|
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)OCc1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O |r,wU:4.4,9.13,(52.65,-3.28,;51.31,-4.06,;52.66,-4.82,;50.49,-5.36,;49,-4.96,;48.92,-3.43,;50.35,-2.87,;47.58,-4.33,;46.32,-5.23,;46.49,-6.77,;47.9,-7.39,;49.14,-6.5,;45.24,-7.67,;43.83,-7.04,;42.58,-7.94,;41.12,-7.47,;40.21,-8.72,;41.12,-9.97,;42.58,-9.49,;38.67,-8.72,;37.9,-7.39,;36.36,-7.39,;35.59,-8.72,;36.36,-10.05,;35.59,-11.39,;37.9,-10.05,;34.05,-8.72,;33.28,-7.4,;34.04,-10.26,;32.72,-9.48,)|
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O |r,wU:4.4,9.13,(27.74,-39.63,;26.26,-40.03,;27.35,-41.12,;25.24,-41.18,;23.83,-40.57,;23.98,-39.04,;25.48,-38.71,;22.49,-39.8,;21.15,-40.56,;21.16,-42.1,;22.49,-42.88,;23.82,-42.11,;19.83,-42.87,;18.49,-42.1,;17.16,-42.87,;15.83,-42.1,;15.82,-40.57,;17.14,-39.79,;18.49,-40.56,;14.5,-42.87,;14.05,-44.44,;12.36,-44.44,;11.82,-42.88,;10.49,-42.11,;10.49,-40.56,;11.82,-39.79,;13.16,-40.56,;13.16,-42.11,;9.16,-39.79,;7.82,-40.56,;8.38,-38.45,;9.93,-38.45,)|
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O |r,wU:4.4,9.13,(26.97,-16.97,;25.49,-17.37,;26.58,-18.46,;24.47,-18.52,;23.06,-17.9,;23.21,-16.37,;24.71,-16.05,;21.72,-17.13,;20.38,-17.9,;20.39,-19.44,;21.72,-20.21,;23.05,-19.45,;19.06,-20.21,;17.72,-19.44,;17.72,-17.9,;16.37,-17.13,;15.05,-17.9,;15.06,-19.44,;13.73,-20.21,;14.28,-21.86,;15.97,-21.87,;16.39,-20.21,;12.39,-19.44,;12.39,-17.89,;11.05,-17.13,;9.72,-17.9,;9.72,-19.45,;11.05,-20.22,;11.05,-21.76,;8.39,-17.13,;7.05,-17.9,;7.61,-15.79,;9.16,-15.79,)|
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)c1nc(COc2ccc(cc2)-n2cnnn2)cs1 |r,wU:4.4,9.13,(24.16,-10.93,;23.35,-12.24,;24.89,-12.29,;23.23,-13.79,;21.73,-14.14,;20.93,-12.82,;21.94,-11.66,;20.2,-14.3,;19.57,-15.71,;20.48,-16.95,;22.01,-16.79,;22.63,-15.39,;19.86,-18.35,;18.36,-18.68,;18.21,-20.22,;16.87,-21,;16.88,-22.54,;15.55,-23.31,;15.56,-24.86,;14.22,-25.63,;12.88,-24.86,;12.89,-23.32,;14.21,-22.55,;11.55,-25.63,;11.38,-27.17,;9.88,-27.48,;9.11,-26.15,;10.14,-25.01,;19.61,-20.83,;20.64,-19.69,)|
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1cc(Nc2ccc(cc2Cl)C#N)ncn1 |THB:5:7:10.11.12:15|
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(F)cc2F)c1F |@:15,TLB:5:7:15:10.11.12,16:15:8.7.14:10.11.12|
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(cc2F)-n2cncn2)c1F |@:15,TLB:5:7:15:10.11.12,16:15:8.7.14:10.11.12|
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2cccnc2Cl)c1F |@:15,TLB:5:7:15:10.11.12,16:15:8.7.14:10.11.12|
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2ccccc2F)c1F |@:15,TLB:5:7:15:10.11.12,16:15:8.7.14:10.11.12|
CC1(CC1)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cn1)S(C)(=O)=O
CC1(CC1)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccncc1C#N
CC1(CC1)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC1(CC1)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O |r,wU:17.22,wD:14.15,(-.23,10.62,;-1.3,10.01,;-2.72,9.95,;-1.94,11.28,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CC1(CC1)OC(=O)N1CCC(CC1)[C@@H](F)CNC(=O)Cc1c(F)ccc(F)c1F |r|
CC1(CC1)OC(=O)N1CCC(CC1)[C@H](F)CNC(=O)Cc1c(F)ccc(F)c1F |r|
CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1 |r|
CC1(CC1)OC(=O)N1CCC(CC1)n1ncc(COc2ccc(cc2)-n2cnnn2)c1C#N
CC1(CC1)OC(=O)N1CCC(CC1)n1ncc(COc2ccc(cc2F)C#N)c1C#N
CC1(CC1)OC(=O)N1CCC(CCNC(=O)Cc2c(F)ccc(F)c2F)CC1
CC1(CC1)OC(=O)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
CC1(CCC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(cc2Cl)C#N)c1F |@:16,TLB:6:8:16:11.12.13,17:16:9.8.15:11.12.13|
CC1(COC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(cc3Cl)C#N)c2F)COC1 |@:14,TLB:4:6:14:9.10.11,15:14:7.6.13:9.10.11|
CC1(Cc2cccc(F)c2)NCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
CC1=NNNN1c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C |t:1|
CC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1cccs1 |c:3|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(C)s1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(CN)cc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(Cl)cc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(Cl)nc1Cl |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(N)nc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccccc2)cc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)C#N |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(nc1Cl)N1CCOCC1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(CN)c1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(Cl)c1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(O)c1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)c1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCC2CCNCC2)c1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2ccccc2)c1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(c1)C#N |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1Cl |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccnc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccco1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccs1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccsc1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)N1CCCCC1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)N1CCNCC1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)N1CCOCC1 |c:6|
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)N1CCSCC1 |c:6|
CC1CC(CCN1C(=O)OC(C)(C)C)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CC1CN(CCC1N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1)C(=O)OC(C)(C)C
CC1NC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:6|
CC1OC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:6|
CCC(C)N1CCN(CCOc2ccc(cc2)-c2nc3ccc(cc3o2)C2=NNC(=O)CC2CC)CC1 |t:29|
CCC(C)N1CCN(CCOc2cccc(c2)-c2nc3ccc(cc3o2)C2=NNC(=O)CC2CC)CC1 |t:29|
CCC(F)(F)C(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O |r,wU:17.21,wD:14.14,(-.23,10.62,;-1.3,10.01,;-1.31,8.47,;-.24,9.08,;-.24,7.85,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
CCC(F)(F)C(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CCC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(cc2F)C#N)c1F |@:16,TLB:6:8:16:11.12.13,17:16:9.8.15:11.12.13|
CCC1(CC1)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CCC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1cccs1 |c:4|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cc(C)cs1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(C)s1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(CCc2ccccc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(F)c(OC)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)(C)CN2CCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)(C)CN2CCOCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)CN2CCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)CN2CCOCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)CO)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(F)(F)F)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC)c(F)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC)c(OC)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC)cc1F |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCCCC2O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCCCCN2C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCNCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCOC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCOCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)N(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)N2CCCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)NC)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)OC(C)(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)(C)N2CCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)(C)N2CCOCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)N2CCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(O)=O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCCCN2C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCN(CC2)S(C)(=O)=O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCNCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC=C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCC2CCCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCCN(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCCN2CCCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(C(C)C)C(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(C)C(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(CC(C)C)CC(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(CC)C(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(CC)CC)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CC(C)OC(C)C2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC(C)CC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC(CC2)C#N)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC(F)CC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCC3(CCCCC3)CC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCC2=O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCCCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCN(C)CC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCN(CC2)C(=O)OC(C)(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCN(CC2)C(C)=O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCN(CC2)C(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCOCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCSCC2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2C[C@H](C)O[C@H](C)C2)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2C[C@H]3CC[C@@H]2C3)cc1 |r,c:7,TLB:24:25:29.28:31|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2[C@@H](C)CC[C@@H]2C)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCOC)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@@H]2CCCN2)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@@H]2CCCN2C(C)C)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@@H]2CCCN2C)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@H]2CCCN2)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC[C@H]2CCCN2C(C)C)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccc(cc2)S(C)(=O)=O)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccccc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccccn2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cccnc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cccs2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccncc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ccsc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cncn2C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cncnc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cnco2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2nc(no2)C(C)C)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2ncccn2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(O[C@@H]2CCCC[C@H]2N(CC)CC)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(O[C@H]2CCC[C@@H]2N2CCCCC2)cc1 |r,c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(Oc2ccccc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(\C=C\c2ccccc2)cc1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)C(C)C |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)C(C)OC |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)N(C)C |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)N1CCOCC1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(O)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OC(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OC(C)CN2CCCCC2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OC)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCCN2CCCCC2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN(C(C)C)C(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN(C)C(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN(CC(C)C)CC(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN(CC)C(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2C(C)(C)CCCC2(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CC(C)OC(C)C2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CCC(CC2)C#N)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CCCC2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CCCCC2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CCCCCC2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CCN(CC2)C(=O)OC(C)(C)C)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2ccccc2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2ccccn2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2cccnc2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCc2ccncc2)c1 |c:7|
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:7|
CCC1NC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:7|
CCC1OC(=O)NN=C1N1CCc2nc(oc2C1)-c1ccccc1 |c:7|
CCC1OC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:7|
CCC1SC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:7|
CCCC(Cc1ccccc1)(C(=O)OCC)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCCC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |c:5|
CCCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |c:8|
CCCC1CCN(CCOc2ccc(cc2)-c2nc3ccc(cc3o2)C2=NNC(=O)CC2CC)CC1 |t:28|
CCCCC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1cccs1 |c:6|
CCCCCCCC\C=C/CCCCCCCC(=O)NCCCc1ccc(O)c(O)c1
CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
CCCCOC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CCCCOC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CCCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:15:13:7:9.10|
CCCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CCCN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CCCN(CCOc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1CC)C(C)C |t:25|
CCCNC(=O)c1cc(F)c(cc1F)-c1cc2cnn(C3CCN(CC3)C(=O)OC(C)C)c2cn1
CCCOC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CCCOC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CCCOc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1CC |t:22|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)C(=O)OC(C)C |c:9|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)C(=O)OC1CCCCC1 |c:9|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)c1ccc(cn1)C(F)(F)F |c:9|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)c1ncc(Cl)cn1 |c:9|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)c1ncc(cn1)C(F)(F)F |c:9|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)c1ncc(cn1)C1CC1 |c:9|
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(Cc2ccccc2)CC1 |c:9|
CCCS(=O)(=O)N1CCC(CC1)C1Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCC |t:24|
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)C(F)F)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)CC(C)(C)C)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)CC(C)C)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)N2CCOCC2)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)NC(C)(C)C)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)NC(C)C)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)NC2CCCCC2)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(cc2)C(C)C)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)c2ccco2)cn1
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCCC2CCN(CC2)C(=O)OC(C)C)cn1
CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:14:12:6:8.9|
CCCS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)C(C)C)c2[N+]([O-])=O)cc1
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1cc(C)cs1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1cc(C)oc1C |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(C)s1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(Cl)cc1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(F)cc1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1cccn1C |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccco1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1cccs1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccsc1 |r,c:6|
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)C1CC1 |r,c:6|
CCC[C@@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCN(C(C)C)C(C)C)cc1 |r,c:6|
CCC[C@@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCc2ccccc2)cc1 |r,c:6|
CCC[C@@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(O)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OC)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCCN2CCCCC2)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCN(C(C)C)C(C)C)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCCC2)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCCN2C[C@H](C)O[C@H](C)C2)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OCc2ccccc2)cc1 |r,c:6|
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:6|
CCCc1cnc(nc1)N1CCC(CC1)C1(C)Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCC |t:29|
CCCc1cnc(nc1)N1CCC(CC1)C1(C)Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCCCO |t:29|
CCCc1cnc(nc1)N1CCC(CC1)C1(C)Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCCO |t:29|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2c(O1)c(F)cc(C1=CCN(CC1)S(=O)(=O)CCC(C)(C)O)c2F |t:27|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2c(O1)c(F)cc(C1=CCN(CC1)S(=O)(=O)CCC)c2F |t:27|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2c(O1)c(F)cc(C1=CCN(CC1)S(=O)(=O)CCCO)c2F |t:27|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2c(O1)ccc(C1=CCN(CC1)S(=O)(=O)CCC)c2F |t:26|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(cc(F)c2O1)C1=CCN(CC1)S(=O)(=O)CCC |t:29|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(cc(F)c2O1)C1=CCN(CC1)S(=O)(=O)CCCCO |t:29|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(cc(F)c2O1)C1=CCN(CC1)S(=O)(=O)CCCO |t:29|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)-c1ccc(cc1F)S(C)(=O)=O
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCC |t:28|
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)C1CCN(CC1)S(=O)(=O)CCC
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)N1CCN(CC1)S(=O)(=O)CCC
CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1C#N)-c1ccc(cc1)S(C)(=O)=O
CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1C)-c1ccc(cc1)S(C)(=O)=O
CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(=O)n(cc1Cl)-c1ccc(cc1)S(C)(=O)=O
CCCc1cnc(nc1)N1CCC(CC1)Oc1cc(C)n(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(c(F)c2)S(C)(=O)=O)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)-n2ccnc2)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)-n2cncn2)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)C#N)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)N2CCCC2=O)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1Cl
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)[S+](C)[O-])c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2F)S(C)(=O)=O)c(=O)c1
CCCc1cnc(nc1)N1CCC(CC1)n1nnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
CCCc1cnc(nc1)N1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r|
CCCc1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
CCN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CCN(CC)C(=O)c1cc(C)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N
CCN(CC)S(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CCN(CC1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CCN(CC1CCN(CC1)C(=O)OC(C)C)c1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CCN1C(=O)c2cc(C)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CCNC(=O)c1c(C)cc(cc1C)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1cc(C)c(c(C)c1)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1cc(F)c(cc1F)-c1cc2cnn(C3CCN(CC3)C(=O)OC(C)C)c2cn1
CCNC(=O)c1cc(F)c(cc1F)-c1cc2nnn(C3CCN(CC3)C(=O)OC(C)C)c2cn1
CCNC(=O)c1cc(F)c(cc1F)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(-c2cc3nnn(C4CCN(CC4)c4ncc(CC)cn4)c3cn2)c(c1)C(F)(F)F
CCNC(=O)c1ccc(c(C)c1)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(c(Cl)c1)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(c(F)c1)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(c(F)c1F)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CCNC(=O)c1ccc(cc1C(F)(F)F)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(cc1C)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCNC(=O)c1ccc(cc1Cl)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
CCOC(=O)C(C)(CC(C)C)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(CC1CCN(CC1)S(C)(=O)=O)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(CC1CCOCC1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1ccc(C)cc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1ccc(cc1)S(C)(=O)=O)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1cccc(C)c1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(Cc3ccc(Cl)cc3)cnn12
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)nc1
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1cccc(Cl)c1
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccccc1Cl
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1nc(no1)C(C)C
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)C1CCN(CC1)C(=O)OC(C)(C)C
CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(ncn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1ccccc1)c1csc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1ccccc1C)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1cccnc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)(Cc1cscn1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(C)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(Cc1c(F)cccc1Cl)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(Cc1c(F)cccc1Cl)c1ccnc2c(cnn12)-c1ccc(cc1)S(C)(=O)=O
CCOC(=O)C(Cc1ccccc1)C1=NC=NC2C1N=CN2c1ccc(OC(F)(F)F)cc1 |c:16,21,t:14|
CCOC(=O)C(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccccc1
CCOC(=O)C(c1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
CCOC(=O)C1(Cc2cccc(F)c2)NC(=O)c2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
CCOC(=O)C1(Cc2ccccc2)CCCCCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
CCOC(=O)C1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(Oc2ccccc2)cc1
CCOC(=O)C1(Cc2ccccc2)N(C)Cc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
CCOC(=O)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)-n2cncn2)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2cc(nn2C)C(F)(F)F)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(Br)cc2)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(CCC(C)=O)cc2)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(OCCOC)cc2)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)-n2cncn2)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)C(=O)CC(=O)OC)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O
CCOC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C |TLB:9:8:5.10.11:13,3:5:13:7.8.14,THB:9:10:13:7.8.14,14:8:5:11.12.13,14:12:5:7.9.8,15:14:5.10.11:13|
CCOC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
CCOC(=O)N1CCC(CC1)Oc1cc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)ncn1
CCOC(=O)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
CCOC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)c1C
CCOC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CCOC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CCOC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
CCOC(=O)N1CCN(CC1)c1nc2ccc(cc2o1)C1=NNC(=O)CC1C |t:23|
CCOC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:11,THB:13:11:5:7.8|
CCOC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:11,THB:13:11:5:7.8|
CCOC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Oc2cccnc2C)c1C |r,THB:13:11:5:7.8|
CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1 |r|
CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@@]1(Cc2ccccc2)CCCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@@]1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(Cl)cc1 |r|
CCOC(=O)[C@@]1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@@]1(Cc2ccccc2)CNc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1c(C)cnc2c(cnn12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1c(Cl)cnc2c(cnn12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1cc(C)nc2c(cnn12)-c1ccc(Cl)cc1 |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(c(C)nn12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1 |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@](C)(Cc1ccccc1)c1cnnc2c(cnn12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)[C@]1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CCOC(=O)c1cc(C)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CCOC(=O)c1cc(C)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N
CCOC(=O)c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
CCOC(=O)c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CCOC(=O)c1cc(nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N)C(C)(C)C
CCOC(=O)c1cc(nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N)C1CC1
CCOC(=O)c1ccnc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CCOC(=O)c1cnn(c1C)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CCOc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C
CCOc1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CCOc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1CC |t:21|
CCOc1ccc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CCOc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
CCS(=O)(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CCS(=O)(=O)N1CCN(CC1)c1ccc(OC2CCN(CC2)C(=O)OC(C)C)cn1
CCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CCS(=O)(=O)N1CCN(CC1)c1ccc(OCCC2CCN(CC2)C(=O)OC(C)C)cn1
CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2nc(no2)C(C)C)c(F)c1 |r|
CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(COC)cn2)c(F)c1 |r|
CCS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)C(C)C)c2[N+]([O-])=O)c(F)c1
CCS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)C(C)C)c2[N+]([O-])=O)cc1
CCS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2nc(no2)C(C)C)c(F)c1 |r|
CCS(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)C(C)C)c2[N+]([O-])=O)cc1
CCSC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CCSc1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)C(C)C)c2[N+]([O-])=O)cc1
CC[C@@H](C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C |r,TLB:11:10:7.12.13:15,5:7:15:9.10.16,THB:11:12:15:9.10.16,16:10:7:13.14.15,16:14:7:9.11.10,17:16:7.12.13:15|
CC[C@@H]1CC(=O)NN=C1N1CCc2nc(oc2C1)-c1ccccc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)CN2CCCCC2)cc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC)cc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCOCC2)cc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)N2CCCCC2)cc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(C(C)C)C(C)C)cc1 |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)N(C)C |r,c:7|
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CC[C@@H]1OC(=O)NN=C1N1CCc2nc(oc2C1)-c1ccccc1 |r,c:7|
CC[C@@H]1OC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CC[C@@H]1[C@@H](C)C(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |r,c:8|
CC[C@@H]1[C@@H](C)C(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:8|
CC[C@@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:5|
CC[C@@H]1[C@H](C)C(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:8|
CC[C@H](C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C |r,TLB:11:10:7.12.13:15,5:7:15:9.10.16,THB:11:12:15:9.10.16,16:10:7:13.14.15,16:14:7:9.11.10,17:16:7.12.13:15|
CC[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |r,c:7|
CC[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC2CCOCC2)cc1 |r,c:7|
CC[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)N2CCCCC2)cc1 |r,c:7|
CC[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN(C(C)C)C(C)C)cc1 |r,c:7|
CC[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CC[C@H]1OC(=O)NN=C1N1CCc2nc(oc2C1)-c1ccccc1 |r,c:7|
CC[C@H]1OC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CC[C@H]1[C@@H](C)C(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)C)cc1 |r,c:8|
CC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:5|
CC[C@H]1[C@H](C)C(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:8|
CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r|
CCc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1 |r,wU:24.26,21.22,(41.62,-10.02,;40.28,-9.25,;40.28,-7.71,;38.96,-6.95,;37.62,-7.72,;36.29,-6.95,;36.28,-5.4,;34.95,-4.64,;33.62,-5.41,;33.62,-6.95,;34.95,-7.72,;34.95,-9.26,;32.28,-4.64,;30.95,-5.41,;31.5,-3.3,;33.05,-3.29,;38.94,-5.41,;40.27,-4.63,;41.61,-5.4,;41.62,-6.94,;42.95,-7.71,;44.28,-6.94,;44.27,-5.41,;45.61,-4.64,;46.95,-5.41,;47.11,-3.88,;48.61,-3.55,;49.38,-4.88,;50.87,-4.47,;50.47,-5.96,;48.36,-6.03,;46.94,-6.95,;45.61,-7.72,)|
CCc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C
CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
CCc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
CCc1ccc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CCc1cnc(OC(=O)N2CCC(CC2)n2cc(CNc3ccc(cc3F)S(C)(=O)=O)cn2)nc1
CCc1cnc(cn1)N1CCC(CC1)n1ncc2ccc(nc12)-c1ccc(cc1F)S(C)(=O)=O
CCc1cnc(nc1)C(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F
CCc1cnc(nc1)N1CCC(=CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1 |c:12|
CCc1cnc(nc1)N1CCC(=CC1)c1nc(COc2ccc(cc2)S(C)(=O)=O)cs1 |c:12|
CCc1cnc(nc1)N1CCC(=CC1)c1nc(COc2ccc(cc2Cl)-n2cnnn2)cs1 |c:12|
CCc1cnc(nc1)N1CCC(=CC1)c1nc(COc2ccc(cc2F)-n2cnnn2)cs1 |c:12|
CCc1cnc(nc1)N1CCC(CC1)C(C)CCNc1cc2OCC(=O)c2cn1
CCc1cnc(nc1)N1CCC(CC1)C(C)COC(=O)N1CCc2cc(cc(F)c12)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)-c1ccc(cc1)C(=O)N1CC(F)(F)C1
CCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ncc2O1)C1CCN(CC1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)N1Cc2cn(nc2C1)-c1ccc(cc1F)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(C(=O)N(C)OC)c(F)c1
CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)C(=O)N(C)OC
CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cn1)S(C)(=O)=O |r|
CCc1cnc(nc1)N1CCC(CC1)[N+]1([O-])Cc2cn(nc2C1)-c1ccc(cc1F)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2c(F)cc(\C=C3/CC(=O)NC3=O)cc2F)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)N(C3=O)c3ccccc3)cc2F)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)N(CC4CCOCC4)C3=O)cc2F)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2C)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CC(=O)NC3=O)cc2F)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/CCNC3=O)cc2F)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(\C=C3/SC(=O)NC3=O)cc2F)cs1
CCc1cnc(nc1)N1CCC(CC1)c1nc(COc2ccc(cc2)-n2cnnn2)cs1
CCc1cnc(nc1)N1CCC(CC1)n1ncc(COc2ccc(cc2)-n2cnnn2)c1C#N
CCc1cnc(nc1)N1CCC(CC1)n1ncc(COc2ccc(cc2F)C#N)c1C#N
CCc1cnc(nc1)N1CCC(CC1)n1ncc2c(C)c(ccc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1ncc2cc(c(C)cc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1ncc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1ncc2cc(ncc12)-c1cc(F)c(cc1F)C(=O)NCCO
CCc1cnc(nc1)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1nnc2cc(ncc12)-c1ccc(c(F)c1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1nnc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CC1)n1nnc2cc(ncc12)-c1ccc(cc1F)S(C)(=O)=O
CCc1cnc(nc1)N1CCC(CCCNc2ccc3CCC(=O)c3c2)CC1
CCc1cnc(nc1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
CCc1cnc(nc1)N1CCC(COc2ccc(nc2)-c2ccc(C(=O)N(C)OC)c(F)c2)CC1
CCc1cnc(nc1)N1CCC(COc2ccc(nc2)-c2ccc(cc2)C(=O)N(C)OC)CC1
CCc1cnc(nc1)N1CCC2(CC(CCCOc3ccc(c(F)c3)S(C)(=O)=O)C2)CC1
CCc1cnc(nc1)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
CCc1cnc(nc1)N1CCC2(CC(CCCOc3ccc(cc3F)S(C)(=O)=O)C2)CC1
CCc1cnc(nc1)N1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r|
CCc1csc(n1)-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CCc1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
CCc1nnc([nH]1)-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CCc1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
CCn1cnnc1-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
CN(C)C(=O)C1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(cc2)-c2nccs2)C1=O |r|
CN(C)C(=O)CN1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CN(C)C(=O)Nc1nc(ns1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CN(C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CN(C)C(=O)c1cc(C)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N
CN(C)C(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc(no3)C(C)(C)F)c2F)c(F)c1
CN(C)C(=O)c1ccc(Nc2ncnc(O[C@H]3CC[C@@]4(COC(C)(C)C4)CC3)c2C)c(F)c1 |r,wU:19.19,16.15,(38.41,-15.68,;39.75,-16.45,;39.75,-17.99,;41.08,-15.68,;41.08,-14.14,;42.42,-16.45,;43.74,-15.68,;45.08,-16.45,;45.09,-18,;46.42,-18.76,;47.75,-17.99,;47.74,-16.46,;49.07,-15.68,;50.41,-16.45,;50.41,-17.99,;51.75,-18.76,;53.08,-17.99,;53.07,-16.45,;54.41,-15.69,;55.75,-16.46,;55.9,-14.93,;57.41,-14.6,;58.18,-15.92,;59.66,-15.52,;59.27,-17.01,;57.16,-17.07,;55.74,-18,;54.41,-18.76,;49.08,-18.76,;49.08,-20.3,;43.75,-18.77,;43.75,-20.31,;42.41,-18,)|
CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)OCCCO3)cc1
CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)OCCO3)cc1
CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CCCCC3)CC2)cc1
CN(C)C(=O)c1ccc(OCCCCCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(CC2)CC(C)(C)CCO3)cc1 |r,wU:18.28,15.14,(28.39,-48.34,;28.38,-49.88,;27.06,-50.65,;29.72,-50.65,;29.72,-52.2,;31.06,-49.88,;32.39,-50.66,;33.73,-49.88,;33.73,-48.33,;35.06,-47.56,;36.4,-48.32,;37.73,-47.55,;39.06,-48.31,;40.39,-47.54,;41.73,-48.3,;43.06,-47.53,;43.05,-45.99,;44.39,-45.21,;45.73,-45.98,;45.73,-47.53,;44.4,-48.29,;47.06,-46.75,;48.37,-45.98,;49.92,-45.98,;49.15,-47.32,;48.38,-44.45,;47.06,-43.68,;45.72,-44.45,;32.39,-47.57,;31.06,-48.34,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(CCCCO3)CC2)cc1 |r,wU:18.18,15.14,(28.45,-38.64,;28.45,-40.18,;27.11,-40.96,;29.78,-40.96,;29.78,-42.5,;31.12,-40.19,;32.45,-40.96,;33.79,-40.18,;33.79,-38.63,;35.12,-37.86,;36.45,-38.62,;37.78,-37.85,;39.12,-38.61,;40.45,-37.84,;41.79,-38.6,;43.12,-37.83,;43.11,-36.29,;44.45,-35.52,;45.79,-36.29,;45.78,-34.75,;47.11,-33.98,;48.44,-34.76,;48.44,-36.29,;47.11,-37.05,;45.79,-37.83,;44.46,-38.6,;32.45,-37.87,;31.12,-38.64,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(CCCO3)CC2)cc1 |r,wU:18.18,15.14,(4.68,-49.81,;4.68,-51.35,;3.34,-52.11,;6.01,-52.12,;6.01,-53.66,;7.35,-51.35,;8.68,-52.12,;10.02,-51.35,;10.01,-49.8,;11.34,-49.02,;12.68,-49.79,;14.01,-49.01,;15.35,-49.78,;16.68,-49,;18.01,-49.77,;19.35,-48.99,;19.33,-47.45,;20.67,-46.68,;22.02,-47.45,;21.94,-45.91,;23.37,-45.36,;24.34,-46.56,;23.51,-47.85,;22,-48.99,;20.68,-49.76,;8.68,-49.03,;7.35,-49.8,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)cc1 |r,wU:18.18,15.14,(64.45,-53.91,;64.45,-55.45,;63.12,-56.22,;65.78,-56.22,;65.78,-57.76,;67.12,-55.45,;68.45,-56.22,;69.79,-55.45,;69.78,-53.9,;71.11,-53.13,;72.45,-53.89,;73.78,-53.12,;75.12,-53.88,;76.45,-53.11,;77.79,-53.87,;79.12,-53.1,;79.1,-51.56,;80.44,-50.78,;81.79,-51.55,;81.71,-50.02,;83.14,-49.47,;84.11,-50.66,;85.44,-49.88,;85.45,-51.42,;83.28,-51.95,;81.77,-53.09,;80.45,-53.86,;68.45,-53.14,;67.12,-53.91,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CC(C)(C)CO3)CC2)cc1 |r,wU:18.24,15.14,(59.96,-45.11,;59.96,-46.65,;58.63,-47.41,;61.3,-47.42,;61.29,-48.96,;62.63,-46.65,;63.96,-47.42,;65.3,-46.65,;65.3,-45.1,;66.63,-44.32,;67.96,-45.09,;69.29,-44.31,;70.63,-45.08,;71.96,-44.3,;73.3,-45.07,;74.63,-44.29,;74.61,-42.75,;75.95,-41.98,;77.3,-42.75,;78.79,-43.15,;79.62,-41.85,;80.95,-41.07,;80.96,-42.62,;78.66,-40.66,;77.22,-41.21,;77.29,-44.29,;75.96,-45.06,;63.96,-44.33,;62.63,-45.1,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CCC(C)(C)O3)CC2)cc1 |r,wU:18.24,15.14,(37.07,-54.96,;37.07,-56.5,;35.74,-57.27,;38.4,-57.27,;38.4,-58.81,;39.74,-56.5,;41.07,-57.27,;42.41,-56.5,;42.4,-54.95,;43.74,-54.17,;45.07,-54.94,;46.4,-54.16,;47.74,-54.93,;49.07,-54.15,;50.41,-54.92,;51.74,-54.14,;51.72,-52.61,;53.06,-51.83,;54.41,-52.6,;55.9,-53,;56.73,-51.71,;55.77,-50.51,;55.76,-48.97,;57.1,-49.73,;54.33,-51.07,;54.4,-54.14,;53.07,-54.91,;41.07,-54.19,;39.74,-54.96,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CCCCO3)CC2)cc1 |r,wU:18.23,15.14,(5.82,-39.35,;5.82,-40.89,;4.48,-41.66,;7.15,-41.66,;7.15,-43.21,;8.49,-40.89,;9.83,-41.67,;11.17,-40.89,;11.16,-39.34,;12.49,-38.57,;13.82,-39.33,;15.16,-38.56,;16.49,-39.32,;17.83,-38.55,;19.17,-39.31,;20.5,-38.54,;20.48,-37,;21.82,-36.22,;23.16,-36.99,;24.49,-37.76,;25.81,-37,;25.82,-35.46,;24.49,-34.69,;23.16,-35.46,;23.16,-38.54,;21.83,-39.3,;9.82,-38.58,;8.49,-39.35,)|
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CCCO3)CC2)cc1 |r,wU:18.22,15.14,(56.58,-35.22,;56.58,-36.76,;55.24,-37.53,;57.91,-37.53,;57.91,-39.07,;59.25,-36.76,;60.58,-37.53,;61.92,-36.76,;61.91,-35.21,;63.24,-34.44,;64.58,-35.2,;65.91,-34.43,;67.25,-35.19,;68.58,-34.42,;69.91,-35.18,;71.25,-34.41,;71.23,-32.87,;72.57,-32.09,;73.92,-32.86,;75.41,-33.26,;76.24,-31.97,;75.27,-30.78,;73.84,-31.33,;73.9,-34.4,;72.58,-35.17,;60.58,-34.45,;59.25,-35.22,)|
CN(C)C(=O)c1ccc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)OC(C)(C)C)nc1C |r,wU:10.9,wD:13.16,(9.05,3.72,;7.99,3.1,;6.92,3.71,;8,1.56,;9.07,.95,;6.67,.78,;5.33,1.55,;4,.77,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;-1.3,10.01,;-.23,10.62,;-1.29,11.24,;-2.36,10.63,;5.34,-1.53,;6.67,-.76,;7.74,-1.37,)|
CN(C)CCOC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CN(C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CN(C)S(=O)(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CN(C)c1ccc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CN(C1CCN(CC1)C(=O)C1CC1)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1)C(=O)NOCc1ccccc1
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
CN(C1CCN(CC1)C(=O)OC1(C)CC1)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
CN(C1CCN(CC1)S(C)(=O)=O)c1cc(ncn1)N(C1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
CN(C1CCN(Cc2ccc(c(F)c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cc2)-c2noc(C)n2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(NC(C)=O)cc1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1F)S(C)(=O)=O
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccccc1
CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CN(CC1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CN([C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O |r,wU:5.5,2.1,(67.02,-9.07,;67.02,-7.53,;68.35,-6.75,;68.34,-5.22,;69.68,-4.45,;71.02,-5.22,;71.17,-3.69,;72.67,-3.37,;73.45,-4.69,;74.93,-4.29,;74.54,-5.78,;72.43,-5.84,;71.01,-6.77,;69.68,-7.53,;65.68,-6.76,;64.35,-7.53,;63.02,-6.76,;63.01,-5.22,;64.34,-4.45,;65.68,-5.22,;61.69,-7.53,;61.24,-9.09,;59.55,-9.09,;59.02,-7.54,;57.68,-6.76,;57.68,-5.22,;59.01,-4.45,;60.35,-5.21,;60.35,-6.76,;56.35,-4.45,;55.02,-5.22,;55.57,-3.11,;57.12,-3.11,)|
CN([C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1C |r,wU:5.5,2.1,(43.59,-31.53,;43.59,-29.99,;44.93,-29.21,;44.92,-27.68,;46.26,-26.91,;47.6,-27.68,;47.75,-26.15,;49.25,-25.83,;50.02,-27.15,;51.51,-26.75,;51.12,-28.24,;49,-28.3,;47.58,-29.23,;46.26,-29.99,;42.26,-29.22,;42.26,-27.68,;40.91,-26.91,;39.59,-27.68,;39.6,-29.22,;38.26,-29.99,;36.93,-29.22,;36.92,-27.67,;35.59,-26.91,;34.26,-27.68,;34.26,-29.22,;35.59,-30,;35.59,-31.54,;32.92,-26.91,;31.59,-27.68,;32.15,-25.57,;33.69,-25.57,;40.93,-29.99,;40.93,-31.53,)|
CN([C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O |r,wU:5.5,2.1,(44.64,-44.52,;44.64,-42.98,;45.98,-42.21,;45.97,-40.67,;47.31,-39.91,;48.65,-40.68,;48.8,-39.15,;50.3,-38.82,;51.07,-40.14,;52.56,-39.74,;52.17,-41.23,;50.05,-41.29,;48.63,-42.22,;47.31,-42.98,;43.31,-42.21,;43.31,-40.67,;41.96,-39.9,;40.64,-40.67,;40.65,-42.21,;39.32,-42.98,;39.69,-44.48,;41.49,-44.55,;41.98,-42.98,;37.98,-42.22,;37.97,-40.66,;36.64,-39.9,;35.31,-40.67,;35.31,-42.22,;36.64,-42.99,;36.64,-44.53,;33.97,-39.9,;32.64,-40.67,;33.2,-38.56,;34.74,-38.56,)|
CN(c1ccc(cc1F)S(C)(=O)=O)c1ncnc(O[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)c1C |r,wU:22.23,19.19,(13.94,-10.82,;13.94,-9.27,;12.6,-8.51,;12.6,-6.96,;11.26,-6.19,;9.93,-6.96,;9.93,-8.51,;11.26,-9.28,;11.26,-10.82,;8.6,-6.19,;7.26,-6.96,;7.82,-4.85,;9.37,-4.85,;15.27,-8.5,;15.26,-6.97,;16.58,-6.19,;17.93,-6.96,;17.93,-8.5,;19.27,-9.27,;20.6,-8.5,;20.59,-6.96,;21.93,-6.2,;23.27,-6.97,;23.42,-5.44,;24.92,-5.11,;25.7,-6.43,;27.18,-6.03,;26.79,-7.52,;24.68,-7.58,;23.26,-8.51,;21.93,-9.28,;16.6,-9.27,;16.6,-10.81,)|
CN(c1ccc(cc1F)S(C)(=O)=O)c1ncnc2c(coc12)C1CCN(CC1)C(=O)OC(C)(C)C
CN1C(=O)c2cc(C)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O
CNC(=O)Nc1nc(ns1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CNC(=O)Nc1nnc(s1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
CNC(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc(no3)C(C)(C)F)c2F)c(F)c1
CNC(=O)c1ccc(nc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CNS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CNc1nc2N(CCc2c(OC2CCN(CC2)C(=O)OC(C)C)n1)c1ccc(cc1F)S(C)(=O)=O
COC(=O)C1(Cc2ccccc2)CCCCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
COC(=O)C1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C#N
COC(=O)C1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
COC(=O)C1(Cc2ccccc2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)S(C)(=O)=O
COC(=O)C1(Cc2ccccc2)COc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
COC(=O)C1(Cc2ccccc2)OCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
COC(=O)C1CN(C1)c1ccc(cn1)N1CC[C@@H](Oc2ccc(OCC(F)(F)F)nc2)C1=O |r|
COC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
COC(=O)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
COC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)c1C
COC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
COC(=O)[C@@]1(Cc2cccc(F)c2)CCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@@]1(Cc2cccc(F)c2)N=Cc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r,c:14|
COC(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(c(CO)nn3c12)-c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(c(CO)nn3c12)-c1ccc(nc1)C(F)(F)F |r|
COC(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(c(nn3c12)C(C)(C)O)-c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(c(nn3c12)C(N)=O)-c1ccc(cc1)C(F)(F)F |r|
COC(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
COC(=O)c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
COC(=O)c1cc(Cl)nc(Oc2ccc3CCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
COC(=O)c1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1C |t:22|
COC(=O)c1ccc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
COC(=O)c1cccc(c1)-c1nc2ccc(cc2o1)-c1n[nH]c(=O)cc1C
COC(=O)c1cnc(nc1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
COC(C)c1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
COC1CN(CCC1N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1)C(=O)OC(C)(C)C
COCC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(cc2F)C#N)c1F |@:17,TLB:7:9:17:12.13.14,18:17:10.9.16:12.13.14|
COCCN(C)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F
COCCN(C)C(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F |r|
COCCN(C1CCN(CC1)C(=O)OC(C)(C)C)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
COCCN1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
COCCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
COCCOC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
COCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1cc(F)c(CC(=O)N2CCC2)c(F)c1 |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1 |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1cc(F)c(c(F)c1)S(C)(=O)=O |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(CC(=O)N2CCOCC2)cc1F |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)-n1cnnn1 |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
CON(C)C(=O)c1ccc(cc1)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)cn1
CON(C)C(=O)c1ccc(cc1)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CON(C)C(=O)c1ccc(cc1)-c1csc2c(OC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12
CON(C)C(=O)c1ccc(cc1)-c1csc2c(ncnc12)N(C)C1CCN(CC1)C(=O)OC(C)(C)C
CON(C)C(=O)c1ccc(cc1)-c1csc2c(ncnc12)N(C)C1CCN(CC1)C(=O)OC(C)C
CON(C)C(=O)c1ccc(cc1F)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)cn1
CON(C)C(=O)c1ccc(cc1F)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
CON(C)C(=O)c1ccc(cc1F)-c1csc2c(OC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12
CON(C)C(=O)c1ccc(cc1F)-c1csc2c(ncnc12)N(C)C1CCN(CC1)C(=O)OC(C)(C)C
CON(C)C(=O)c1ccc(cc1F)-c1csc2c(ncnc12)N(C)C1CCN(CC1)C(=O)OC(C)C
CO[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
CO[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:7|
CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r|
COc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1(C)CC1 |TLB:28:26:21.22.23:19|
COc1c(Nc2ccc(cc2F)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1(C)CC1 |TLB:28:26:21.22.23:19|
COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C
COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
COc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)n1)-c1nc(no1)C1CC1
COc1cc(cc2CCN(C(=O)OCCC3CCN(CC3)C(=O)OC(C)(C)C)c12)S(C)(=O)=O
COc1cc(ccc1-c1cnco1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
COc1cc2C(=O)N(C3CC3)C(=O)c2c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
COc1cc2N(CCc2cc1S(C)(=O)=O)C(=O)OCCC1CCN(CC1)C(=O)OC(C)(C)C
COc1cc2nc(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC |TLB:7:8:15:11.12|
COc1cc2nc(NCC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(cc3)S(C)(=O)=O)c2cc1OC |THB:8:9:16:12.13|
COc1cc2nc(NCC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC |THB:8:9:16:12.13|
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(N3CCC4CCC(C3)N4C(=O)OC(C)(C)C)c2cc1OC |TLB:29:28:27.20.21.22:24.25,THB:19:20:28:24.25|
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(N3CCC4CCC(C3)N4Cc3ccccc3)c2cc1OC |TLB:29:28:27.20.21.22:24.25,THB:19:20:28:24.25|
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2cc1OC |TLB:20:21:28:24.25|
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(NCC3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2cc1OC |THB:21:22:29:25.26|
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(OC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(OCC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(OC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(OCC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc(OC3CCN(CC3)C(=O)OC(C)(C)C)nc(Nc3ccc(cc3)S(C)(=O)=O)c2cc1OC
COc1cc2nc(OC3CCN(CC3)C(=O)OC(C)(C)C)nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC
COc1cc2nc(OCC3CCN(CC3)C(=O)OC(C)(C)C)nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC
COc1cc2nc(nc(Nc3ccc(cc3)S(C)(=O)=O)c2cc1OC)N1CCC2CCC(C1)N2C(=O)OC(C)(C)C |TLB:34:33:32.25.26.27:29.30,6:25:33:29.30|
COc1cc2nc(nc(Nc3ccc(cc3)S(C)(=O)=O)c2cc1OC)N1CCC2CCC(C1)N2Cc1ccccc1 |TLB:6:25:33:29.30,34:33:32.25.26.27:29.30|
COc1cc2nc(nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC)N1CCC2CCC(C1)N2C(=O)OC(C)(C)C |TLB:35:34:33.26.27.28:30.31,6:26:34:30.31|
COc1cc2nc(nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC)N1CCC2CCC(C1)N2Cc1ccccc1 |TLB:6:26:34:30.31,35:34:33.26.27.28:30.31|
COc1ccc(OC(=O)N2CCC(CC2)N(C2CC2)C(=O)c2ccc(cc2)-c2cnco2)cc1
COc1ccc(Oc2ncnc(OC3CCN(CC3)C(=O)OC(C)C)c2C)c(C)n1
COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
COc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1C |t:20|
COc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
COc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
COc1ccc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
COc1cccc(c1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1C |t:20|
COc1cccc(c1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
COc1ccccc1-c1nc2ccc(cc2o1)C1=NNC(=O)CC1C |t:20|
COc1cnc(nc1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
COc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
COc1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
COc1cnc(nc1)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1
COc1cnc(nc1)N1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r|
COc1cnccc1COc1cnc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C
COc1ncc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CS(=O)(=O)N1CCC(=CC1)c1cc2C[C@@H](Oc2cn1)C1CCN(CC1)c1ncc(cc1F)C(F)(F)F |r,c:7|
CS(=O)(=O)N1CCC(=CC1)c1cc2C[C@@H](Oc2cn1)C1CCN(CC1)c1ncc(cn1)C1CC1 |r,c:7|
CS(=O)(=O)N1CCC(CC1)Oc1cc(ncn1)N(C1CCN(CC1)c1nc(no1)C1CC1)C(F)(F)F
CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:10,THB:1:4:6.7:11.10.9,12:10:4:6.7|
CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O |r,@@:10,THB:1:4:6.7:11.10.9,12:10:4:6.7|
CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1 |r|
CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(F)cn2)cc1F |r|
CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(CC2)C(=O)OCCF)c(F)c1
CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(CC2)C(=S)Sc2ccccc2)c(F)c1
CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(CC2)C2=NCCCN2)c(F)c1 |t:27|
CS(=O)(=O)c1ccc(NCc2cnn(c2)C2CCN(CC2)C(=O)OC2CCC2)c(F)c1
CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc(CC4CC4)[n-][o+]3)c2[N+]([O-])=O)cc1
CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)-c3cccc(c3)C(F)(F)F)c2[N+]([O-])=O)cc1
CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)-c3cccnc3)c2[N+]([O-])=O)cc1
CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc([n-][o+]3)C3CC3)c2[N+]([O-])=O)cc1
CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19|
CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19,THB:23:22:18.19:16.15.21|
CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19|
CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+]([O-])=O)c(F)c1 |r,@:15,TLB:14:15:22:18.19,THB:23:22:18.19:16.15.21|
CS(=O)(=O)c1ccc(OCCCC2CC3(C2)CCN(CC3)C(=O)OC2CCCC2)cc1F
CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1 |r|
CS(=O)(=O)c1ccc([C@H]2CC[C@@H](CC2)OCC2CCN(Cc3nc(no3)C(F)(F)F)CC2)c(F)c1 |r,wU:11.14,wD:8.7,(25.89,-50.28,;26.67,-48.94,;25.33,-48.17,;26.67,-47.4,;28.21,-48.94,;28.97,-50.27,;30.49,-50.27,;31.26,-48.95,;32.8,-48.96,;33.57,-50.3,;35.11,-50.3,;35.89,-48.97,;35.12,-47.64,;33.58,-47.63,;37.43,-48.98,;38.19,-50.32,;39.73,-50.33,;40.49,-51.67,;42.02,-51.68,;42.81,-50.36,;44.35,-50.37,;45.13,-49.04,;46.66,-48.89,;46.99,-47.39,;45.67,-46.61,;44.51,-47.63,;48.4,-46.77,;49.64,-47.69,;48.58,-45.24,;49.73,-45.99,;42.05,-49.02,;40.5,-49,;30.5,-47.62,;31.27,-46.29,;28.97,-47.62,)|
CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(cn2)C(F)(F)F)cc1=O
CS(=O)(=O)c1ccc(cc1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
CS(=O)(=O)c1ccc(cc1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(cn2)C(F)(F)F)cc1=O
CS(=O)(=O)c1ccc(cc1)-n1ccc(OC2CCN(CC2)C(=O)Oc2ccccc2)cc1=O
CS(=O)(=O)c1ccc(cc1)-n1ccc(OC2CCN(CC2)c2ncc(cn2)C2CC2)cc1=O
CS(=O)(=O)c1ccc(cc1)-n1ncc2c(OC3CCN(CC3)C(=O)OC3CCCC3)ncnc12
CS(=O)(=O)c1ccc(cc1)-n1ncc2c(OC3CCN(CC3)C(=O)OC3CCOC3)ncnc12
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccc(Cl)cn1
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccc(F)cn1
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccc(cn1)C#N
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccc(cn1)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccccn1
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1cnccn1
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ncc(Cl)cn1
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ncccn1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
CS(=O)(=O)c1ccc(cc1F)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O
CS(=O)(=O)c1ccc(cc1F)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(cn2)C(F)(F)F)cc1=O
CS(=O)(=O)c1ccc(nc1)[C@H]1CC[C@@H](CC1)OCC1CCN(CC1)c1ncc(cn1)C(F)(F)F |r,wU:13.17,wD:10.10,(4.71,-21.09,;5.49,-19.76,;4.16,-18.98,;5.49,-18.21,;7.03,-19.76,;7.79,-18.44,;9.32,-18.44,;10.09,-19.77,;9.32,-21.09,;7.79,-21.09,;11.63,-19.77,;12.4,-21.12,;13.93,-21.12,;14.71,-19.79,;13.94,-18.45,;12.4,-18.44,;16.25,-19.8,;17.01,-21.14,;18.55,-21.15,;19.31,-22.49,;20.84,-22.5,;21.63,-21.18,;20.87,-19.83,;19.32,-19.82,;23.17,-21.19,;23.92,-22.53,;25.46,-22.55,;26.24,-21.22,;25.48,-19.87,;23.94,-19.86,;27.78,-21.23,;28.54,-22.57,;28.56,-19.9,;29.32,-21.22,)|
CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(Cl)cn1
CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(F)cn1
CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(O)cn1
CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncccn1
CS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC(F)(F)F)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;-1.3,9.7,;-.24,7.85,;-.24,9.08,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;.11,8.53,;-.66,7.2,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)C2(CCCC2)C(F)(F)F)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;.05,9.12,;1.07,7.97,;.29,6.64,;-1.21,6.97,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;-1.3,10.01,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,;-2.63,10.78,;-3.7,10.17,;-2.63,12.02,;-3.7,11.4,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)OC(CF)CF)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;-1.3,10.01,;.04,10.77,;.05,12.01,;-2.63,10.79,;-2.62,12.02,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)OC2CCOC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;-1.3,10.01,;-2.54,10.9,;-2.06,12.36,;-.52,12.35,;-.05,10.89,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC2)C(=O)Oc2ccccc2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.65,7.7,;-3.71,8.33,;-1.31,8.47,;-1.3,10.01,;.04,10.78,;.04,12.31,;-1.29,13.09,;-2.62,12.32,;-2.63,10.78,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(CC3)C(F)(F)F)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;.11,8.53,;-.66,7.2,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(CCC3)C(F)(F)F)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;.1,8.91,;.49,7.42,;-1,7.03,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(CCCC3)C(F)(F)F)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;.05,9.12,;1.07,7.97,;.29,6.64,;-1.21,6.97,;-1.3,10.01,;-2.36,10.63,;-1.29,11.24,;-.23,10.62,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
CS(=O)(=O)c1cnc(O[C@H]2CC[C@@H](CC2)OC2CCN(CC3(F)CCCC3)CC2)cn1 |r,wU:9.8,wD:12.15,(9.06,2.18,;8,1.56,;9.07,.95,;7.99,2.79,;6.67,.78,;6.67,-.76,;5.34,-1.53,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-2.66,3.08,;-4,3.86,;-3.99,5.4,;-2.65,6.16,;-2.65,7.7,;-1.31,8.47,;-1.3,9.7,;-1.21,6.97,;.29,6.64,;1.07,7.97,;.05,9.12,;-1.32,5.39,;-1.33,3.85,;4,.77,;5.33,1.55,)|
CS(=O)c1cc(F)c(NC(=O)C2=NOC3(C2)CCN(CC3)c2nc(no2)-c2ccccc2)cc1F |t:11|
CS(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CSC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
CSc1ccc(cc1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
CSc1ccc(cc1)[C@H]1CC[C@@H](CC1)OCC1CCN(CC1)C(=O)OC(C)(C)C |r,wU:11.15,wD:8.8,(3.93,-34.84,;4.71,-33.51,;6.25,-33.52,;7.01,-34.85,;8.54,-34.85,;9.31,-33.53,;8.54,-32.2,;7.02,-32.2,;10.85,-33.53,;11.62,-34.88,;13.15,-34.88,;13.93,-33.55,;13.17,-32.22,;11.62,-32.21,;15.47,-33.56,;16.23,-34.9,;17.77,-34.91,;18.53,-36.25,;20.07,-36.26,;20.85,-34.94,;20.09,-33.6,;18.55,-33.58,;22.39,-34.95,;23.15,-36.29,;23.17,-33.62,;24.71,-33.64,;25.5,-32.31,;25.47,-34.98,;26.25,-33.63,)|
CSc1ccc(cc1F)N1CCc2c1ncnc2OC1CCN(CC1)C(=O)OC(C)C
C[C@@H](CF)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O |r,wU:17.21,1.0,wD:14.14,(-2.36,10.63,;-1.3,10.01,;.04,10.77,;.05,12.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
C[C@@H](CF)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F |r|
C[C@@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(CC1)C(=O)OC1(C)CC1 |r|
C[C@@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F |r,wU:15.19,wD:12.12,1.0,(-2.36,10.63,;-1.3,10.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,)|
C[C@@H](OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F)C(F)(F)F |r|
C[C@@H](OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F |r|
C[C@@H](O[C@H]1CC[C@@]2(CC1)CC(F)(F)CCO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,1.0,(70.22,-20.36,;70.23,-21.9,;71.64,-22.53,;72.89,-21.63,;72.73,-20.09,;73.99,-19.18,;75.41,-19.82,;75.56,-21.36,;74.31,-22.26,;76.74,-20.59,;78.06,-19.82,;79.59,-19.82,;78.82,-21.15,;78.06,-18.29,;76.74,-17.52,;75.4,-18.29,;68.99,-22.81,;67.52,-22.33,;66.61,-23.58,;67.52,-24.83,;68.99,-24.35,;65.06,-23.58,;64.3,-24.92,;62.76,-24.91,;61.98,-26.25,;61.98,-23.59,;60.45,-23.59,;59.67,-22.26,;58.14,-22.27,;60.06,-20.77,;61.15,-21.85,;62.75,-22.25,;61.98,-20.92,;64.3,-22.25,)|
C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,1.0,(20.11,-34.06,;20.13,-35.61,;21.54,-36.23,;22.79,-35.33,;22.63,-33.79,;23.89,-32.89,;25.31,-33.52,;25.45,-35.06,;24.21,-35.96,;26.63,-34.29,;27.95,-33.52,;27.96,-31.99,;28.72,-30.66,;29.5,-31.98,;26.64,-31.23,;25.3,-31.99,;18.89,-36.51,;17.42,-36.03,;16.51,-37.29,;17.42,-38.54,;18.88,-38.05,;14.96,-37.28,;14.2,-38.62,;12.65,-38.62,;11.88,-39.95,;11.88,-37.29,;10.34,-37.29,;9.56,-35.96,;8.03,-35.97,;9.96,-34.47,;11.05,-35.56,;12.65,-35.95,;11.87,-34.63,;14.19,-35.95,)|
C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.6,3.2,1.0,(44.86,-47.14,;44.88,-48.68,;46.29,-49.31,;47.54,-48.41,;47.38,-46.87,;48.63,-45.97,;50.05,-46.6,;49.97,-45.07,;51.41,-44.51,;52.37,-45.7,;53.7,-44.92,;53.71,-46.46,;51.54,-47,;50.2,-48.14,;48.95,-49.03,;43.64,-49.58,;42.17,-49.11,;41.26,-50.36,;42.17,-51.61,;43.64,-51.13,;39.72,-50.36,;38.95,-51.69,;37.42,-51.69,;36.64,-53.03,;36.64,-50.36,;35.11,-50.37,;34.33,-49.03,;32.8,-49.05,;34.73,-47.55,;35.82,-48.63,;37.41,-49.03,;36.64,-47.7,;38.95,-49.03,)|
C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)cc1F |r,wU:6.6,3.2,1.0,(17.64,-47.37,;17.66,-48.91,;19.07,-49.53,;20.32,-48.63,;20.16,-47.1,;21.42,-46.19,;22.83,-46.83,;22.75,-45.29,;24.19,-44.73,;25.15,-45.93,;26.48,-45.14,;26.49,-46.69,;24.32,-47.22,;22.98,-48.36,;21.73,-49.26,;16.42,-49.81,;14.95,-49.33,;14.04,-50.58,;14.95,-51.83,;16.42,-51.35,;12.5,-50.58,;11.73,-51.92,;10.19,-51.91,;9.42,-53.25,;9.42,-50.59,;7.89,-50.59,;7.11,-49.26,;5.58,-49.27,;7.5,-47.77,;8.6,-48.86,;10.19,-49.26,;11.73,-49.25,;12.5,-47.92,)|
C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.6,3.2,1.0,(18.34,-33.45,;18.35,-34.99,;19.76,-35.62,;21.01,-34.72,;20.85,-33.19,;22.11,-32.28,;23.53,-32.91,;23.44,-31.38,;24.88,-30.82,;25.84,-32.01,;27.18,-31.23,;27.18,-32.77,;25.01,-33.31,;23.67,-34.45,;22.43,-35.35,;17.11,-35.9,;15.65,-35.42,;14.74,-36.67,;15.65,-37.92,;17.11,-37.44,;13.19,-36.67,;12.43,-35.34,;10.88,-35.34,;10.12,-36.67,;8.58,-36.68,;7.81,-35.35,;6.28,-35.36,;8.2,-33.86,;9.29,-34.94,;10.89,-38,;10.12,-39.34,;12.43,-38,)|
C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1F |r,wU:6.6,3.2,1.0,(75.16,-31.16,;75.17,-32.7,;76.58,-33.33,;77.83,-32.43,;77.67,-30.9,;78.93,-29.99,;80.34,-30.62,;80.26,-29.09,;81.7,-28.53,;82.66,-29.72,;84,-28.94,;84,-30.48,;81.83,-31.02,;80.49,-32.16,;79.24,-33.06,;73.93,-33.61,;72.46,-33.13,;71.55,-34.38,;72.46,-35.63,;73.93,-35.15,;70.01,-34.38,;69.25,-33.05,;67.7,-33.05,;66.94,-34.38,;65.4,-34.39,;64.62,-33.06,;63.09,-33.07,;65.02,-31.57,;66.11,-32.65,;67.71,-35.71,;66.93,-37.05,;69.25,-35.71,;70.02,-37.04,)|
C[C@@H](O[C@H]1CC[C@]2(CC(F)(F)CO2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.12,3.2,1.0,(45.01,-20.35,;45.02,-21.89,;46.43,-22.52,;47.68,-21.61,;47.52,-20.08,;48.78,-19.17,;50.19,-19.81,;51.68,-20.21,;52.51,-18.91,;53.6,-17.81,;54,-19.3,;51.55,-17.71,;50.11,-18.27,;50.34,-21.35,;49.09,-22.24,;43.78,-22.79,;42.31,-22.32,;41.4,-23.57,;42.31,-24.82,;43.78,-24.34,;39.86,-23.57,;39.09,-24.9,;37.55,-24.9,;36.78,-26.24,;36.78,-23.57,;35.24,-23.58,;34.47,-22.24,;32.94,-22.25,;34.86,-20.75,;35.95,-21.84,;37.55,-22.24,;36.77,-20.91,;39.09,-22.23,)|
C[C@@H]1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:3|
C[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:6|
C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1 |r|
C[C@@H]1CN(CCN1c1ncc(OCC2CCN(CC2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)-n2cnnn2)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)C#N)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(=O)(=O)N(C)C)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)C#N)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)C#N)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)N=S(C)(C)=O)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)C(=O)OC1(COC1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cn2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OC(C)(C)C#N |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OC1CC(F)(F)C1(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OCC(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OCC(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nc(no1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nc(no1)C1CC1 |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1ncc(F)cn1 |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nnc(o1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1noc(C)n1 |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1noc(n1)C(F)(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1noc(n1)C(F)F |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1noc(n1)C1CC1 |r|
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C)cn1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN(CC[C@@H]1N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1)C(=O)OC(C)(C)C |r|
C[C@@H]1CN([C@@H](C)CN1C(=O)OC(C)(C)C)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1 |r|
C[C@@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:4|
C[C@H](CF)OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O |r,wU:17.21,wD:14.14,1.0,(-2.36,10.63,;-1.3,10.01,;.04,10.77,;.05,12.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,)|
C[C@H](CF)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F |r|
C[C@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(CC1)C(=O)OC1(C)CC1 |r|
C[C@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F |r,wU:15.19,1.0,wD:12.12,(-2.36,10.63,;-1.3,10.01,;-1.31,8.47,;-2.65,7.7,;-3.71,8.33,;-2.65,6.16,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.33,3.85,;-1.32,5.39,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.55,;6.67,.78,;6.67,-.76,;5.34,-1.53,;8,1.56,;9.06,2.18,;9.07,.95,;7.99,2.79,;.04,10.77,;.05,12.01,;1.1,10.15,;1.11,11.38,)|
C[C@H](OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(nc2C)S(C)(=O)=O)c1F)C(F)(F)F |r|
C[C@H](OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F |r|
C[C@H](OC1CCN(CC1)C(=O)OC(C)(C)C)c1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O |r|
C[C@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1 |r,wU:6.6,3.2,wD:1.0,(75.17,-19.04,;75.19,-20.58,;76.6,-21.2,;77.85,-20.3,;77.69,-18.77,;78.94,-17.86,;80.36,-18.5,;80.28,-16.96,;81.72,-16.4,;82.68,-17.6,;84.01,-16.81,;84.02,-18.36,;81.85,-18.89,;80.51,-20.04,;79.26,-20.93,;73.95,-21.48,;72.48,-21.01,;71.57,-22.26,;72.48,-23.51,;73.95,-23.02,;70.03,-22.26,;69.26,-20.92,;67.72,-20.93,;66.95,-22.26,;65.42,-22.26,;64.64,-20.93,;63.11,-20.94,;65.03,-19.44,;66.12,-20.53,;67.72,-23.59,;66.95,-24.92,;69.26,-23.59,)|
C[C@H]1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:3|
C[C@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:6|
C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1 |r|
C[C@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@H]1CN(CC[C@H]1N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1)C(=O)OC(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)N1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C |r|
C[C@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(C)s1 |r,c:4|
C[C@H]1[C@@H](CC=C)C(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1 |r,c:9|
C[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1 |r,c:4|
C[C@]1(Cc2cc(ncc2O1)C1=CCN(CC1)S(C)(=O)=O)C1CCN(CC1)c1ncc(cn1)C(F)(F)F |r,t:12|
Cc1c(Nc2ccc(F)cc2C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:17:18:25:21.22|
Cc1c(Nc2ccc(cc2)S(C)(=O)=O)ncnc1O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1 |r,wU:22.24,19.20,(48.64,-41.87,;48.64,-40.33,;47.31,-39.56,;45.97,-40.33,;44.64,-39.56,;43.3,-40.34,;41.97,-39.56,;41.97,-38.02,;43.3,-37.25,;44.63,-38.01,;40.63,-37.25,;39.3,-38.02,;39.86,-35.91,;41.4,-35.91,;47.3,-38.02,;48.62,-37.25,;49.97,-38.01,;49.97,-39.56,;51.3,-40.33,;52.64,-39.55,;52.63,-38.02,;53.97,-37.25,;55.31,-38.02,;55.46,-36.49,;56.96,-36.17,;57.73,-37.49,;59.22,-37.09,;58.83,-38.58,;56.71,-38.64,;55.29,-39.57,;53.97,-40.33,)|
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC(C)(C)C |TLB:27:25:20.21.22:18|
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1(C)CC1 |TLB:27:25:20.21.22:18|
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)S(=O)(=O)C1CC1 |TLB:27:25:20.21.22:18|
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C |THB:17:18:21.22.23:26|
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1CC2COCC(C1)N2S(=O)(=O)C1CC1 |THB:17:18:21.22.23:26|
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:17:18:25:21.22|
Cc1c(Nc2ccc(cc2Cl)S(C)(=O)=O)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C |THB:19:20:23.24.25:28|
Cc1c(Nc2ccc(cc2F)C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:17:18:25:21.22|
Cc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1OC1CC2COCC(C1)N2C(=O)OC1(C)CC1 |THB:19:20:23.24.25:28|
Cc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:19:20:27:23.24|
Cc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1 |r,wU:23.25,20.21,(49.62,-8.35,;49.62,-6.81,;48.29,-6.04,;46.95,-6.82,;45.62,-6.05,;45.61,-4.5,;44.28,-3.73,;42.95,-4.5,;42.95,-6.05,;44.28,-6.82,;44.28,-8.36,;41.61,-3.73,;40.28,-4.51,;40.84,-2.4,;42.38,-2.39,;48.28,-4.51,;49.6,-3.73,;50.95,-4.5,;50.95,-6.04,;52.28,-6.81,;53.62,-6.04,;53.61,-4.51,;54.95,-3.74,;56.29,-4.51,;56.44,-2.98,;57.94,-2.65,;58.71,-3.98,;60.2,-3.57,;59.81,-5.06,;57.69,-5.13,;56.27,-6.05,;54.95,-6.82,)|
Cc1c(Nc2ccccc2C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:16:17:24:20.21|
Cc1c(OC2C3COCC2CN(C3)C(=O)OC2(C)CC2)ncnc1Oc1ccc(cc1Cl)C#N |TLB:13:11:6.7.8:4|
Cc1c(OC2CCN(CC2)C(=O)OC(C)(C)C)ncnc1Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Cc1c(OC2CCN(CC2)C(=O)OC(C)(C)C)ncnc1Oc1cccc(\C=C2/SC(=O)NC2=O)c1
Cc1c(OC2CCN(CC2)C(=O)OCc2ccccc2)ncnc1Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
Cc1c(OC2CCN(CC2)C(=O)OCc2ccccc2)ncnc1Oc1cccc(\C=C2/SC(=O)NC2=O)c1
Cc1c(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)C2CC2)ncnc1Oc1ccc(Cl)cc1C#N |r,TLB:3:4:11:7.8|
Cc1c(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)C2CC2)ncnc1Oc1ccccc1C#N |r,TLB:3:4:11:7.8|
Cc1c(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)C2CC2)ncnc1Oc1ccccc1Cl |r,TLB:3:4:11:7.8|
Cc1c(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)C2CC2)ncnc1Oc1cccnc1C(F)(F)F |r,TLB:3:4:11:7.8|
Cc1c(O[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)ncnc1N1CCc2cc(ccc12)S(C)(=O)=O |r,wU:7.7,4.3,(15.7,-33.04,;15.7,-31.5,;17.03,-30.73,;18.36,-31.5,;19.7,-30.72,;19.69,-29.19,;21.03,-28.42,;22.37,-29.19,;22.52,-27.66,;24.02,-27.33,;24.79,-28.66,;26.28,-28.26,;25.89,-29.74,;23.77,-29.81,;22.35,-30.74,;21.03,-31.5,;17.03,-29.18,;15.68,-28.42,;14.36,-29.19,;14.37,-30.73,;13.03,-31.5,;12.59,-33.06,;10.9,-33.06,;10.36,-31.5,;9.03,-30.73,;9.03,-29.19,;10.36,-28.42,;11.69,-29.18,;11.7,-30.73,;7.69,-28.42,;6.36,-29.19,;6.92,-27.08,;8.46,-27.08,)|
Cc1c(O[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)ncnc1Oc1ccc(cc1F)S(C)(=O)=O |r,wU:7.7,4.3,(48.64,-29.57,;48.64,-28.03,;49.97,-27.26,;51.31,-28.03,;52.64,-27.26,;52.63,-25.72,;53.97,-24.95,;55.31,-25.73,;55.46,-24.2,;56.96,-23.87,;57.74,-25.19,;59.22,-24.79,;58.83,-26.28,;56.72,-26.34,;55.3,-27.27,;53.97,-28.03,;49.97,-25.72,;48.63,-24.95,;47.3,-25.72,;47.31,-27.26,;45.98,-28.03,;44.64,-27.27,;44.64,-25.71,;43.3,-24.95,;41.97,-25.72,;41.97,-27.27,;43.3,-28.04,;43.3,-29.58,;40.64,-24.95,;39.3,-25.72,;39.86,-23.61,;41.41,-23.61,)|
Cc1c(Oc2ccc(cc2)-n2cncn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:27:26:23:21.20.19,19:20:28:25.24.23,19:24:28:21.27.20,18:19:28.26.25:23,THB:27:20:28.26.25:23,29:28:23:21.20.19|
Cc1c(Oc2ccc(cc2)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:27:26:23:21.20.19,19:20:28:25.24.23,19:24:28:21.27.20,18:19:28.26.25:23,THB:27:20:28.26.25:23,29:28:23:21.20.19|
Cc1c(Oc2ccc(cc2)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 |TLB:27:26:23:21.20.19,19:20:28:25.24.23,19:24:28:21.27.20,18:19:28.26.25:23,THB:27:20:28.26.25:23,29:28:23:21.20.19|
Cc1c(Oc2ccc(cc2F)-n2cncn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20|
Cc1c(Oc2ccc(cc2F)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20|
Cc1c(Oc2ccc(cc2F)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20|
Cc1c(Oc2ccc(cc2F)C#N)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:25:24:21:19.18.17,17:18:26:23.22.21,17:22:26:19.25.18,16:17:26.24.23:21,THB:25:18:26.24.23:21,27:26:21:19.18.17|
Cc1c(Oc2ccc(cc2F)S(C)(=O)=O)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:27:26:23:21.20.19,19:20:28:25.24.23,19:24:28:21.27.20,18:19:28.26.25:23,THB:27:20:28.26.25:23,29:28:23:21.20.19|
Cc1c(Oc2ccc(cc2F)S(C)(=O)=O)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 |TLB:27:26:23:21.20.19,19:20:28:25.24.23,19:24:28:21.27.20,18:19:28.26.25:23,THB:27:20:28.26.25:23,29:28:23:21.20.19|
Cc1c(ccc2nc(oc12)-c1ccccc1)C1=NNC(=O)C2CC12 |t:19|
Cc1c(ncn1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C)-c1ccccc1
Cc1c2CCN(C(=O)OCCC3CCN(CC3)C(=O)OC(C)(C)C)c2ccc1S(C)(=O)=O
Cc1cc(=O)[nH]nc1-c1ccc2nc(oc2c1)-c1ccc(cc1)C(O)=O
Cc1cc(=O)[nH]nc1-c1ccc2nc(oc2c1)-c1cccs1
Cc1cc(C(=O)NC(C)(C)C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1cc(C(O)=O)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)n1
Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)n1
Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)n1
Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2)n1
Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Cc1cc(COc2cnc(nc2)N2CCN(CC2)C(=O)OC(C)(C)C)ccn1
Cc1cc(NCCO)nc(n1)-c1ccc(Br)cc1
Cc1cc(\C=C2/CC(=O)NC2=O)ccc1OCc1csc(n1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)n1)-c1nc(no1)C1CC1
Cc1cc(cc2CCN(C(=O)OCCC3CCN(CC3)C(=O)OC(C)(C)C)c12)S(C)(=O)=O
Cc1cc(cc2oc(nc12)-c1ccccc1)C1=NNC(=O)C2CC12 |t:19|
Cc1cc(ccc1-c1cnco1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(nc(n1)C#N)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(nc(n1)C#N)N1CCC(CC1)C1CCN(CC1)c1ncc(Cl)cn1
Cc1cc2C(=O)N(C(=O)c2c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1)c1ccccc1
Cc1cc2C(=O)N(C3CC3)C(=O)c2c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1cc2C(=O)N(C3CCCC3)C(=O)c2c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1cc2C(=O)NC(=O)c2c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1ccc(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
Cc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12 |t:19|
Cc1ccc(cc1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
Cc1ccc(cc1C)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12 |t:20|
Cc1ccc(nc1)N1CCC(CC1)C1CCN(CC1)c1ccc(cc1)S(C)(=O)=O
Cc1ccc(nc1)N1CCC(CC1)n1ncc2cc(ncc12)-c1ccc(cc1)S(C)(=O)=O
Cc1ccc(nc1)N1CCC2(CC(CCCOc3ccc(cc3)S(C)(=O)=O)C2)CC1
Cc1ccc(nn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1cccc(c1)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12 |t:19|
Cc1cccc(c1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1ccnc(n1)N1CCC(CC1)Oc1ccn(-c2ccc(cc2)S(C)(=O)=O)c(=O)c1
Cc1cn(c(C)n1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1cnc(cn1)N1CCC(CC1)C1CCN(CC1)c1cc(C)nc(n1)C#N
Cc1cnc(cn1)N1CCC(CC1)C1CCN(CC1)c1cc(nc(C)n1)C#N
Cc1cnc(nc1)N1CCC(CC1)C1CCN(CC1)c1cc(nc(C)n1)C#N
Cc1cnc(nc1)N1CCC(CC1)C1CCN(CC1)c1ccc(cc1)S(C)(=O)=O
Cc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1nc(C)cc(n1)C#N |r|
Cc1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
Cc1cnc(o1)C(C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F
Cc1cnccc1COc1cnc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C
Cc1cncnc1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1nc([o+][n-]1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2)S(C)(=O)=O)c1[N+]([O-])=O
Cc1nc(cc(n1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C)C#N
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)C(C)(C)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)C(C)(F)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)C(F)(F)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)C2(C)CC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)C2(F)CCC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)C2CCCC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC(C)(C)C#N)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC(C)(C)C(F)(F)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC(C)(C)C)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC(C)(C)CF)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2(C)CC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2(CCC2)C(F)(F)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2(COC2)C(F)(F)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2CCC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)OC2COC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)SC(C)(C)C)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)SC2(C)CC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)SC2CC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)SC2CCC2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)c2nc(no2)C(C)(C)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)c2ncc(Cl)cn2)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=O)c2noc(n2)C(C)(C)F)c1F)S(C)(=O)=O
Cc1nc(ccc1Oc1ncnc(OC2CCN(CC2)C(=S)OC2(C)CC2)c1F)S(C)(=O)=O
Cc1nc(ccc1[C@H]1CC[C@@H](CC1)OCC1CCN(CC1)c1ncc(cn1)C(F)(F)F)S(C)(=O)=O |r,wU:10.14,wD:7.7,(9.8,-29.17,;9.04,-27.83,;7.51,-27.82,;6.75,-26.5,;7.51,-25.18,;9.04,-25.18,;9.81,-26.51,;11.35,-26.51,;12.12,-27.85,;13.65,-27.86,;14.43,-26.53,;13.66,-25.19,;12.12,-25.18,;15.97,-26.54,;16.73,-27.88,;18.27,-27.88,;19.03,-29.23,;20.56,-29.24,;21.35,-27.91,;20.59,-26.57,;19.04,-26.56,;22.89,-27.93,;23.64,-29.27,;25.18,-29.28,;25.97,-27.96,;25.2,-26.61,;23.66,-26.6,;27.51,-27.97,;28.27,-29.31,;28.29,-26.64,;29.04,-27.96,;5.21,-26.49,;4.43,-27.83,;3.88,-25.72,;5.21,-24.95,)|
Cc1nc(cn1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C)-c1ccccc1
Cc1nc(co1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1nc(no1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1nc(no1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
Cc1nc2N(CCc2c(OC2CCN(CC2)C(=O)OC(C)(C)C)n1)c1ccc(cc1F)S(C)(=O)=O
Cc1ncc(o1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1ncccc1Nc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1cc(ncn1)N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:22:21:18:16.15.14,14:15:23:20.19.18,14:19:23:16.22.15,10:14:23.21.20:18,THB:22:15:23.21.20:18,24:23:18:16.15.14|
Cc1ncccc1Oc1cc(ncn1)N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1 |TLB:22:21:18:16.15.14,14:15:23:20.19.18,14:19:23:16.22.15,10:14:23.21.20:18,THB:22:15:23.21.20:18,24:23:18:16.15.14|
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC(C)(C)C)c1C |TLB:21:20:17:15.14.13,13:14:22:19.18.17,13:18:22:15.21.14,12:13:22.20.19:17,THB:21:14:22.20.19:17,23:22:17:15.14.13|
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC(C)(C)C)c1F |TLB:21:20:17:15.14.13,13:14:22:19.18.17,13:18:22:15.21.14,12:13:22.20.19:17,THB:21:14:22.20.19:17,23:22:17:15.14.13|
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CC2)c1C |TLB:21:20:17:15.14.13,13:14:22:19.18.17,13:18:22:15.21.14,12:13:22.20.19:17,THB:21:14:22.20.19:17,23:22:17:15.14.13|
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CC2)c1F |TLB:21:20:17:15.14.13,13:14:22:19.18.17,13:18:22:15.21.14,12:13:22.20.19:17,THB:21:14:22.20.19:17,23:22:17:15.14.13|
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CCC2)c1C |TLB:21:20:17:15.14.13,13:14:22:19.18.17,13:18:22:15.21.14,12:13:22.20.19:17,THB:21:14:22.20.19:17,23:22:17:15.14.13|
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2CCC2)c1C |TLB:21:20:17:15.14.13,13:14:22:19.18.17,13:18:22:15.21.14,12:13:22.20.19:17,THB:21:14:22.20.19:17,23:22:17:15.14.13|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3C=C[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,c:18,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC2(C)CC2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC2CCC2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OCC(F)(F)F)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OCC2CC2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)CC(F)(F)F)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)CCC(F)(F)F)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)s2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(F)cc2)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3S(C)(=O)=O)c1C |r,TLB:13:14:21:17.18|
Cc1ncccc1Oc1ncnc(O[C@@H]2CC3CC2CN3C(=O)OC(C)(C)C)c1C |r,TLB:21:20:15.14:17,13:14:17:19.20|
Cc1ncccc1Oc1ncnc(O[C@@H]2CC3CC2N(C3)C(=O)OC(C)(C)C)c1C |r,TLB:21:19:14.15:17,THB:13:14:17:20.19|
Cc1ncccc1Oc1ncnc(O[C@H]2CC3CC2CN3C(=O)OC(C)(C)C)c1C |r,TLB:21:20:15.14:17,13:14:17:19.20|
Cc1ncccc1Oc1ncnc(O[C@H]2CC3CC2N(C3)C(=O)OC(C)(C)C)c1C |r,TLB:21:19:14.15:17,THB:13:14:17:20.19|
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3CC(=O)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,TLB:13:14:22:18.17,THB:19:18:22:14.21.15|
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3CC(F)(F)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,TLB:13:14:23:18.17|
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3CC(F)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,TLB:13:14:22:18.17,19:18:22:14.21.15|
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3CC(O)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C |r,TLB:13:14:22:18.17,THB:19:18:22:14.21.15|
Cc1ncn(n1)-c1ccc(Oc2ncnc(N3C4CC5CC3CC(C4)N5C(=O)OC(C)(C)C)c2C)c(F)c1 |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
Cc1ncn(n1)-c1ccc(Oc2ncnc(N3C4CC5CC3CC(C4)N5C(=O)OC(C)(C)C)c2C)cc1 |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
Cc1ncoc1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1nn(-c2ccc(cc2)S(C)(=O)=O)c2nc(C)nc(OC3CCN(CC3)C(=O)OC(C)(C)C)c12
Cc1nn(-c2ccc(cc2)S(C)(=O)=O)c2ncnc(OC3CCN(CC3)C(=O)OC(C)(C)C)c12
Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1noc(C)c1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cc1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
Cc1noc(n1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cl.CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCNCC1=O
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1)-c1nc(no1)C1CC1
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(cc2)C#N)n1)-c1nc(no1)C1CC1
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2cccc(c2)C#N)n1)-c1nc(no1)C1CC1
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccccc2)n1)-c1nc(no1)C1CC1
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccccc2C#N)n1)-c1nc(no1)C1CC1
Clc1ccc(cc1)S(=O)(=O)N1CCCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2cc(Cl)c(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2cc(Cl)c(Oc3cc(cc(Cl)n3)-c3nnc(o3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(=O)[nH]3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3cc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(CC4CC4)no3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(cs3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nnc(o3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3noc(n3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(n3)C3CC3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCOc2cc(Cl)c(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)c2cc(Cl)c(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCSc2cc(Cl)c(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)N1CCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cc(cc(Cl)n2)-c2ncco2)c1
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cc(cc(Cl)n2)-c2nccs2)c1
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cc(cc(Cl)n2)C(=O)NC2CC2)c1
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(cc(C(=O)NC3CC3)c2C#N)C2CC2)c1
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2nc(cc3C(=O)N(C4CC4)C(=O)c23)C2CC2)c1
Clc1cccc(c1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)cc1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)cn1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)NC2CC2)cc1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cc1)-n1ccnn1 |r|
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)-n1ccnn1 |r|
Clc1cnc(nc1)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
Cn1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c2ncnc(Nc3ccc(cc3F)S(C)(=O)=O)c12
Cn1cc(cn1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cn1cnc(n1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cn1cncc1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cn1ncnc1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Cn1nnnc1-c1ccc(OCc2cnn(C3CCN(CC3)C(=O)OC3(C)CC3)c2C#N)c(F)c1
FC(F)(F)C(OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
FC(F)(F)COC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
FC(F)(F)COC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
FC(F)(F)COC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
FC(F)(F)Cc1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
FC(F)(F)c1cc(nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C#N)C1CC1
FC(F)(F)c1ccc(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1
FC(F)(F)c1nc(no1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
FC(F)(F)c1nnc(o1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
FC(F)(F)c1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
FC(F)(F)c1noc(n1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
FC1(F)CC(OC(=O)N2C3CCC2CN(C3)c2ncc(OCc3ccncc3C#N)cn2)C1(F)F
FC1(F)CC(OC(=O)N2CCN(CC2)c2ncc(OCc3ccncc3C#N)cn2)C1(F)F
Fc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1CCC1 |@:18,TLB:17:18:26.25.24:20.21.22,THB:27:25:18:20.21.22|
Fc1cc(C#N)c(F)cc1NC(=O)C1=NOC2(C1)CCN(CC2)c1nc(no1)-c1ccccc1 |t:14|
Fc1cc(CC(=O)N2CCC2)ccc1OCC[C@@H]1C[C@@H]1C1CCN(CC1)c1ncc(Cl)cn1 |r|
Fc1cc(OCC2CC2C2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Fc1cc(OCC2CC2CC2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Fc1cc(OCCC2CC2C2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Fc1cc(OCCCC2CC2CCCC2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1
Fc1cc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)ccc1CC(=O)N1CCC1 |r|
Fc1cc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)ccc1CC(=O)N1CCCCC1 |r|
Fc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)n1)-c1nc(no1)C1CC1
Fc1cc2CCCN(c2cc1Oc1cc(cc(Cl)n1)-c1nc(no1)C1CC1)S(=O)(=O)c1ccc(Cl)cc1
Fc1cc2CCCN(c2cc1Oc1cc(cc(Cl)n1)-c1nnc(o1)C1CC1)S(=O)(=O)c1ccc(Cl)cc1
Fc1ccc(OC(=O)N2CCC(CC2)N(C2CC2)C(=O)c2ccc(cc2)-c2cnco2)cc1
Fc1ccc(c(F)c1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Fc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12 |t:19|
Fc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CCC12 |t:19|
Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Fc1ccc(cc1F)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Fc1cccc(CC2(NCc3cnc4c(cnn4c23)-c2ccc(cc2)C(F)(F)F)C2CC2)c1
Fc1cccc(Cl)c1CCc1ccnc2c(cnn12)-c1ccc(Cl)cc1
Fc1cccc(c1)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12 |t:19|
Fc1cccc(c1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Fc1ccccc1-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12 |t:19|
Fc1cnc(nc1)N1CC2COCC(C1)C2Oc1ncnc(Oc2ccc(cc2Cl)C#N)c1C1CC1 |@:15,TLB:4:7:15:10.11.12,16:15:8.7.14:10.11.12|
NC(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)cc1 |r|
NC(=O)OC1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(OCC(F)(F)F)nc2)C1=O |r|
O=C(OC1CCCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
O=C(OC1CCCCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
O=C(OC1CCOCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
O=C(OCC1CCOCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
O=C(OCc1ccccc1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
O=C(OCc1ccccc1)N1CCC(CC1)Oc1cc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)ncn1
O=C(OCc1ccccc1)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
O=C(Oc1ccccc1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
O=C1CC(C2CC2)C(=NN1)N1CCc2nc(oc2C1)-c1ccccc1 |c:8|
O=C1CCC(=NN1)c1ccc2nc(oc2c1)-c1ccccc1 |c:4|
O=C1CCC(=NN1)c1ccc2nc(oc2c1)-c1ccco1 |c:4|
O=C1CCC(=NN1)c1ccc2nc(oc2c1)-c1cccs1 |c:4|
O=C1CCC(=NN1)c1ccc2nc(oc2c1)N1CCCCC1 |c:4|
O=C1CCC(=NN1)c1ccc2nc(oc2c1)N1CCSCC1 |c:4|
O=C1NCC(=NN1)c1ccc2nc(oc2c1)-c1ccccc1 |c:4|
O=C1NN=C(C2CC12)C1CCc2nc(oc2C1)-c1ccccc1 |c:3|
O=C1NN=C(C2CC12)N1CCc2nc(oc2C1)-c1ccccc1 |c:3|
O=C1NN=C(C2CC12)c1ccc2nc(Cc3ccccc3)oc2c1 |c:3|
O=C1NN=C(C2CC12)c1ccc2nc(oc2c1)-c1ccc(CN2CCCCC2)cc1 |c:3|
O=C1NN=C(C2CC12)c1ccc2nc(oc2c1)-c1ccc(CN2CCOCC2)cc1 |c:3|
O=C1NN=C(C2CC12)c1ccc2nc(oc2c1)-c1ccc(OCCN2CCOCC2)cc1 |c:3|
O=C1NN=C(C2CC12)c1ccc2nc(oc2c1)-c1ccccc1 |c:3|
O=C1NN=C(C2CCC12)c1ccc2nc(oc2c1)-c1ccccc1 |c:3|
O=C1NN=C([C@@H]2C[C@H]12)[C@@H]1CCc2nc(oc2C1)-c1ccccc1 |r,c:3|
O=C1NN=C([C@@H]2C[C@H]12)[C@H]1CCc2nc(oc2C1)-c1ccccc1 |r,c:3|
O=C1NN=C([C@H]2C[C@@H]12)[C@@H]1CCc2nc(oc2C1)-c1ccccc1 |r,c:3|
O=C1NN=C([C@H]2C[C@@H]12)[C@H]1CCc2nc(oc2C1)-c1ccccc1 |r,c:3|
O=c1ccc(n[nH]1)-c1ccc2nc(oc2c1)-c1ccccc1
O=c1ccc(n[nH]1)-c1ccc2nc(oc2c1)-c1cccs1
OC(=O)C1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(OCC3CC3)nc2)C1=O |r|
OC1CCN(CC1)C#N
OC1CN(C1)C(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)cc1F |r|
OC1CN(C1)c1ncc(cc1C#N)N1CC[C@@H](Oc2ccc(OCC3CC3)nc2)C1=O |r|
OCCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)c(F)c1 |r|
OCc1nn2c3c(CN[C@]3(Cc3cccc(F)c3)C3CC3)cnc2c1-c1ccc(cc1)C(F)(F)F |r|
OCc1nn2c3c(CN[C@]3(Cc3cccc(F)c3)C3CC3)cnc2c1-c1ccc(nc1)C(F)(F)F |r|
[H][C@@]12CC[C@@]([H])(C[C@@H]1Nc1ncnc3c(Nc4ccc(cc4)S(C)(=O)=O)ncnc13)N(C2)C(=O)OC(C)(C)C |r,TLB:8:7:3.2:31.30,THB:32:30:3.2:6.7|
[H][C@@]12CC[C@@]([H])(C[C@@H]1Nc1ncnc3c(Nc4ccc(cc4F)C#N)ncnc13)N(C2)C(=O)OC(C)(C)C |r,TLB:8:7:3.2:30.29,THB:31:29:3.2:6.7|
[H][C@@]12CC[C@@]([H])(C[C@H]1Nc1ncnc3c(Nc4ccc(cc4F)C#N)ncnc13)N(C2)C(=O)OC(C)(C)C |r,TLB:8:7:3.2:30.29,THB:31:29:3.2:6.7|
[H][C@@]12CC[C@@]([H])(C[C@H]1Nc1ncnc3c(Nc4ccc(cc4F)S(C)(=O)=O)ncnc13)N(C2)C(=O)OC(C)(C)C |r,TLB:8:7:3.2:32.31,THB:33:31:3.2:6.7|
[H][C@@]12CC[C@]([H])(CC(C1)Oc1ccn(-c3ccc(cc3)S(C)(=O)=O)c(=O)c1)N2C(=O)OC(C)C |r,@@:7,THB:9:7:27:2.3|
[H][C@@]12CC[C@]([H])(C[C@@H]1Oc1ncnc(Nc3ccc(cc3F)S(C)(=O)=O)c1[N+]([O-])=O)N(C2)C(=O)OC(C)(C)C |r,TLB:8:7:3.2:31.30,THB:32:30:7.6:3.2|
[H][C@]12CC[C@@]([H])(CC(C1)Oc1ncnc(Nc3ccc(cc3Cl)C#N)c1F)N2C(=O)OC(C)C |r,@@:7,TLB:28:27:6.7.8:3.2,9:7:27:3.2|
[H][C@]12CC[C@@]([H])(CC(C1)Oc1ncnc(Nc3ccc(cc3Cl)C#N)c1F)N2C(=O)OC1(C)CC1 |r,@@:7,TLB:28:27:6.7.8:3.2,9:7:27:3.2|
[H][C@]12CC[C@@]([H])(CC(C1)Oc1ncnc(Nc3ccc(cc3Cl)C#N)c1F)N2C(=O)OC1(C)CCC1 |r,@@:7,TLB:28:27:6.7.8:3.2,9:7:27:3.2|
[H][C@]12CC[C@@]([H])(CC(C1)Oc1ncnc(Nc3ccc(cc3Cl)C#N)c1F)N2C(=O)OCC(C)C |r,@@:7,TLB:28:27:6.7.8:3.2,9:7:27:3.2|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1ncnc3c(Nc4ccc(cc4)S(C)(=O)=O)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1ncnc3c(Nc4ccc(cc4F)C#N)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1ncnc3c(Nc4ccc(cc4F)S(C)(=O)=O)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ncnc3c(Nc4ccc(cc4F)C#N)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)Nc1ncnc3c(Nc4ccc(cc4)S(C)(=O)=O)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)Nc1ncnc3c(Nc4ccc(cc4F)C#N)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)Nc1ncnc3c(Nc4ccc(cc4F)S(C)(=O)=O)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)Oc1ncnc3c(Nc4ccc(cc4F)C#N)ncnc13)N2C(=O)OC(C)(C)C |r|
[H][C@]12COC[C@@]([H])(CC(C1)Oc1ncnc(Nc3ccc(cc3F)S(C)(=O)=O)c1OC)N2C(=O)OC1(C)CC1 |r,@:8,TLB:32:31:7.8.9:4.2.3,10:8:31:4.2.3|
[H][C@]12COC[C@]([H])(CN(C1)C(=O)OC1(C)CC1)[C@H]2Oc1ncnc(Nc2c(F)cccc2F)c1F |r,TLB:10:8:17:4.3.2,18:17:7.8.9:4.3.2|
[H][C@]12COC[C@]([H])(CN(C1)C(=O)OC1(C)CC1)[C@H]2Oc1ncnc(Nc2ccc(cc2Cl)C#N)c1F |r,TLB:10:8:17:2.3.4,18:17:9.8.7:2.3.4|
[H][C@]12COC[C@]([H])(CN(C1)C(=O)OC1(C)CC1)[C@H]2Oc1ncnc(Nc2ccccc2F)c1F |r,TLB:10:8:17:4.3.2,18:17:7.8.9:4.3.2|
[O-][N+](=O)c1c(Nc2ccc(cc2)-n2cncn2)ncnc1N1CCC(CC1)Sc1ccccn1