883 SMILES Strings for Mitogen-activated protein kinase kinase kinase kinase 4
Compound Name
SMILES String
Brc1cc2c(Nc3ccncc3)ncnn2c1
C(Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1)N1CCOCC1
C1CN(CCO1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
C1CN(CCO1)c1ccc(cn1)-c1cc2c(Nc3ccncc3)ncnn2c1
C1CN(CCO1)c1ncnn2cccc12
CC(=O)N1CC(C1)C(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
CC(=O)N1CC(C1)NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
CC(=O)N1CCCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1
CC(=O)N1CCN(CC1)c1ccc2ncnc(N)c2n1
CC(=O)N1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CC(=O)NCC1Cc2cc(Cl)cc(c2O1)-c1ccncc1
CC(=O)NCCNC(=O)c1cc(cc2c(N)ncnc12)-c1cccc(F)c1
CC(=O)NCc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(=O)NS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
CC(=O)Nc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
CC(=O)Nc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1
CC(=O)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
CC(=O)Nc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
CC(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1
CC(=O)c1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
CC(=O)c1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1
CC(C)(C(O)=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CC(C)(C(O)=O)c1cccc(c1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc2ncnc(N)c2n1
CC(C)(C)OC(=O)NCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1ccc2ncnc(N)c2n1 |r|
CC(C)(C)OC(=O)N[C@H]1CCCN(C1)c1ccc2ncnc(N)c2n1 |r|
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1ccc2ncnc(N)c2c1
CC(C)(C)OC[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Br)cc1 |r,c:8|
CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(cc34)-c3ccc(cc3)S(C)(=O)=O)cc2)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(CN1CCOCC1)NCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC(C)(CN1CCOCC1)NCc1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(C)(CO)NC(=O)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC(C)(CO)NC(=O)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(C)(COc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
CC(C)(O)CCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(C)(O)CN1CCN(C1=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(C)(O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
CC(C)(O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(C)(O)COc1ccc(cc1C#N)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CC(C)(O)Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CC(C)(O)c1cc2c(Nc3ccncc3)ncnn2c1
CC(C)(O)c1cnc(N)c2nc(ccc12)-c1ccnc(F)c1
CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
CC(C)(Oc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
CC(C)(Oc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
CC(C)C(=O)N1CCN(CC1)c1ccc2ncnc(N)c2n1
CC(C)C(=O)N1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CC(C)CNCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC(C)CNCc1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(C)CNc1ncnc2ccc(cc12)-c1cccc(Cl)c1
CC(C)CNc1ncnc2ccc(nc12)-c1cccc(F)c1
CC(C)NC(=O)c1ccc(cc1)-c1cnc(N(C)C)c(c1)-c1ccc(cc1)C#N
CC(C)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C#N
CC(C)NCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC(C)NCc1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(C)Nc1ncnc2ccc(nc12)-c1cccc(F)c1
CC(C)Nc1ncnn2cccc12
CC(C)Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CC(C)Oc1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(C)[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Br)cc1 |r,c:5|
CC(C)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
CC(C)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1
CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccccc1F)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(Cl)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCCCC(O)=O)cc1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)C(O)=O)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N(CCO)CCO)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC(C)N(C)C(C)C1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccc(F)cc1 |TLB:19:22:29:25.26,30:29:25.26:22.28.23|
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(C)C(=O)C1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(Cl)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)c(F)c1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC(F)(F)F)CC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(C)=O)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(N)=O)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)S(N)(=O)=O)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CCC(O)=O)CC1)-c1ccc(cc1)C(F)(F)F
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(Cl)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)c(F)c1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(cc1)C(F)(F)F
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCNCC1)-c1ccc(F)cc1
CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC[N+](C)([O-])CC1)-c1ccc(F)cc1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(CO)N(C)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC(CO)N(C)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(CO)NC(=O)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC(CO)NC(=O)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CC(N1CCCC1)C(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
CC(Nc1ccc2ncnc(N)c2n1)c1cccc(C)n1
CC(Nc1ccc2ncnc(N)c2n1)c1ccccc1
CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
CC1CCCN(C1)c1ccc2ncnc(N)c2n1
CC1CCCN1Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CC1CN(CC(C)N1C)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1
CC1CN(CCN1C(=O)OC(C)(C)C)c1ccc2ncnc(N)c2n1
CCC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
CCC(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
CCNc1ncnc2ccc(cc12)-c1cccc(Cl)c1
CCNc1ncnc2ccc(nc12)-c1cccc(F)c1
CCOC(=O)Cc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CCOC(=O)N1CCC(CC1)N(C)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CCOC(=O)N1CCC(CC1)N(C)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CCOC(=O)N1CCC(CC1)Nc1ccc2ncnc(N)c2n1
CCOC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
CCOC(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
CCOC(=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
CCOC(=O)c1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
CCOC(=O)c1cccc(c1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
CCOc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1
CCOc1cccc(c1)-c1ccc2ncnc(N)c2c1
CCS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1cc(ccn1)-c1ccc2ncnc(N)c2n1
CCc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
CCc1cccc(C)c1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
CCc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
CCc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1
CCc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CN(C)C(=O)C1CN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
CN(C)C(=O)CC1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN(C)C(=O)CN(C)Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(C)C(=O)CN(C)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(C)C(=O)CN(C)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CN(C)C(=O)CN1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN(C)C(=O)N1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN(C)C(=O)c1cccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C)C(=O)c1ccnc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
CN(C)C1CCN(C1)C(=O)c1cc(cc2c(N)ncnc12)-c1cccc(F)c1
CN(C)C1CCN(C1)c1ccc2ncnc(N)c2n1
CN(C)C1CCN(CC1)C(=O)c1cc(cc2c(N)ncnc12)-c1cccc(F)c1
CN(C)C1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
CN(C)C1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CC(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
CN(C)CC(=O)Nc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)CC(O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
CN(C)CCCNc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(C)CCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)CCN1CCN(C1=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)CCNC(=O)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(C)CCNC(=O)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CN(C)CCNC(=O)c1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)CCNCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(C)CCNCc1cccc(c1)-c1ccc2ncnc(N)c2n1
CN(C)CCNc1cc(ccn1)-c1ccc2ncnc(N)c2c1
CN(C)CCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3cc(F)ccc3F)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccc(C)cc3)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3cccc(C)c3)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3cccc(F)c3)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccccc3)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccccc3C)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccccc3F)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccoc3)ccnc2c1
CN(C)CCn1cc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3ccsc3)ccnc2c1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)Cc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CN(C)Cc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN(C)S(=O)(=O)N1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN(C)[C@H]1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
CN(C)c1cc(CC2CCCN(C2)c2ccc3ncnc(N)c3n2)ncn1
CN(C)c1cc(CC2CCN(C2)c2ccc3ncnc(N)c3n2)ncn1
CN(C)c1cc(nc(C)n1)C1CCN(C1)c1ccc2ncnc(N)c2n1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(nc1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C)c1cccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C)c1cncc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C)c1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(O)cc1
CN(C)c1nccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C)c1nccnc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
CN(C1CCC(O)CC1)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1 |(-2.67,-2.7,;-2.67,-1.16,;-4,-.38,;-4,1.16,;-5.33,1.93,;-6.67,1.16,;-8,1.93,;-6.67,-.38,;-5.33,-1.16,;-1.33,-.38,;-1.33,1.16,;,1.93,;,3.46,;1.33,1.16,;1.33,-.38,;,-1.16,;2.67,-1.16,;2.67,-2.7,;4,-3.46,;5.33,-2.7,;6.67,-3.46,;8,-2.7,;8,-1.16,;6.67,-.38,;6.67,1.16,;5.33,-1.16,;4,-.38,)|
CN(C1CCCC1)C(=O)Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
CN(C1CCN(C)C1)C(=O)c1cc(cc2c(N)ncnc12)-c1cccc(F)c1
CN(C1CCN(C1)c1ccc2ncnc(N)c2n1)C(C)=O
CN(C1CCN(CC1)C(C)=O)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(C1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1)C(C)=O
CN(CC(=O)N1CCOCC1)Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(CC(O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O)C1CC1
CN(CCO)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN(CCO)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CN(Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1)C1CCCCN1C
CN(Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1)C1CCN(C)C1
CN(Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1)C1CCN(C)CC1
CN(Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1)C1CCS(=O)(=O)C1
CN(Cc1cccc(c1)-c1ccc2ncnc(N)c2n1)C1CCCCN1C
CN(Cc1cccc(c1)-c1ccc2ncnc(N)c2n1)C1CCN(C)CC1
CN(Cc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12)C(=O)OC(C)(C)C
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CN(c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1)C1(CO)CC1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN(c1cccc(c1)-c1ccc2ncnc(N)c2n1)C1(CO)CC1
CN1C2CCC1CN(C2)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1 |TLB:0:1:3.4:7.6.8,THB:9:7:1:3.4|
CN1CC(C1)NCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN1CC(C1)NCc1cccc(c1)-c1ccc2ncnc(N)c2n1
CN1CC(COc2ccc(cc2)-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)C1
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN1CCC(CC1)NCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CN1CCC(CC1)NCc1cccc(c1)-c1ccc2ncnc(N)c2n1
CN1CCC(CC1)Oc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
CN1CCC(CNC(=O)c2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN1CCC(CNC(=O)c2cccc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN1CCC(COc2ccc(cc2)-c2cn(-c3ccccc3)c3c2nc[nH]c3=O)C1
CN1CCCC(C1)c1ccc(cn1)-c1ccc2ncnc(N)c2c1
CN1CCN(C1=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CN1CCN(CC(=O)N[C@@H]2CCCN(C2)c2ccc3ncnc(N)c3n2)CC1 |r|
CN1CCN(CC(=O)N[C@H]2CCCN(C2)c2ccc3ncnc(N)c3n2)CC1 |r|
CN1CCN(CC(=O)Nc2ccc(cc2)-c2cn(-c3cccc(F)c3)c3nc[nH]c(=O)c23)CC1
CN1CCN(CC(=O)Nc2ccc(cc2)-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)CC1
CN1CCN(CC(O)COc2ccc(cc2)-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)CC1
CN1CCN(CC(O)COc2ccc(cc2)-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)CC1=O
CN1CCN(CC1)C(=O)c1cc(cc2c(N)ncnc12)-c1cccc(F)c1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C(F)F)-c2ccc(F)cc2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C)-c2ccc(F)cc2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(C)(C)C)-c2ccc(F)cc2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2[C@H]2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wU:27.30,wD:24.26,(-10.31,-.25,;-8.77,-.25,;-8,-1.58,;-6.46,-1.58,;-5.69,-.25,;-6.46,1.09,;-8,1.09,;-4.15,-.25,;-3.38,-1.58,;-1.84,-1.58,;-1.07,-.25,;.47,-.25,;1.24,1.09,;.47,2.42,;2.78,1.09,;3.68,2.33,;5.15,1.86,;5.15,.32,;3.68,-.16,;6.39,-.59,;7.86,-.11,;8.76,-1.36,;7.86,-2.6,;6.39,-2.13,;5.15,-3.03,;3.74,-2.41,;2.49,-3.31,;2.65,-4.84,;1.41,-5.75,;4.06,-5.47,;5.31,-4.56,;8.33,1.35,;9.84,1.67,;10.31,3.14,;9.28,4.28,;9.76,5.75,;7.78,3.96,;7.3,2.5,;-1.84,1.09,;-3.38,1.09,)|
CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3c(C)nc(nc3c2c1)-c1cnn(C)c1
CN1CCN(CC1)c1ccc(cn1)-c1cc2c(Nc3ccncc3)ncnn2c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1)c1ccc2ncnc(N)c2n1
CN1CCN(CC1=O)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1
CN1CCN(CCCOc2ccc(cc2)-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)CC1
CN1CCN(CCS(=O)(=O)Nc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CN1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1C(N)=O
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCOC(C1)C(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
CN1CCOC(C1)C(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)C(C)(C)n1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CNC(=O)C1CCN(C1)c1ccc2ncnc(N)c2n1
CNC(=O)C1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
CNC(=O)C1CN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
CNC(=O)C1CN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CCN1C
CNC(=O)C1CN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CCO1
CNC(=O)CC1CCN(CC1)c1ccc2ncnc(N)c2n1
CNC(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
CNC(=O)c1ccc2-c3c(C)c(nn3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
CNC(=O)c1ccc2-c3cc(nn3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ccnn1-c1ccc(F)cc1F
CNC(=O)c1cccc(c1)-c1ccc2ncnc(N)c2n1
CNC(=O)c1cccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CNCC(=O)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CNCCC(=O)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CNCc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
CNS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CNc1cc(CC2CCN(C2)c2ccc3ncnc(N)c3n2)ncn1
CNc1ncc(cn1)-c1cccc(N)c1
CNc1ncnc2ccc(cc12)-c1cccc(Cl)c1
CNc1ncnc2ccc(nc12)-c1cccc(F)c1
CNc1ncnn2cccc12
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
COC(COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12)CN1CCOCC1
COC1CCCN(C1)c1ccc2ncnc(N)c2n1
COC1CCN(CC1)c1ccc2ncnc(N)c2n1
COC1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCC1CCCN(C1)c1ccc2ncnc(N)c2n1
COCCC(=O)N[C@@H]1CCCN(C1)c1ccc2ncnc(N)c2n1 |r|
COCCC(=O)N[C@H]1CCCN(C1)c1ccc2ncnc(N)c2n1 |r|
COCCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
COCCC(=O)Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
COCCN(C)C(=O)c1cc(cc2c(N)ncnc12)-c1cccc(F)c1
COCCN(C)Cc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
COCCN1CCN(CC1)c1ccc2ncnc(N)c2n1
COCCN1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCOc1ccc(cc1)-c1cn(-c2cccc(F)c2)c2nc[nH]c(=O)c12
COCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
COCc1nc(no1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc(OC)c1
COc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(C)cc2)cc(OC)c1
COc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc(OC)c1
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1O)-c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)c2nccn12
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(C)cc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1
COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1Cl
COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1OC
COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(C)cc2)cc1
COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1
COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1OC
COc1ccc(OC)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
COc1ccc(Oc2ccc3ncnc(N)c3n2)cc1
COc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(O)=O
COc1ccc(cc1)-c1ccc2ncnc(N)c2c1
COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
COc1ccc(cc1)-n1cc(-c2ccc(OCCCN(C)C)cc2)c2nc[nH]c(=O)c12
COc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
COc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(C)cc2)c1
COc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1
COc1cccc(c1)-c1ccc2ncnc(N)c2c1
COc1cccc(c1)-c1ccc2ncnc(N)c2n1
COc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
COc1cccc(c1)-n1cc(-c2ccc(OCC(O)CN3CCOCC3)cc2)c2c1nc[nH]c2=O
COc1ccccc1-c1ccc2ncnc(N)c2c1
COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCOC1)-c1ccc(F)cc1
COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1CC1CCOC1)-c1ccc(F)cc1
COc1ncc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(O)=O
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
CS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3cc(F)ccc3F)ccnc2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3ccc(F)cc3)ccnc2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3cccc(F)c3)ccnc2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3ccccc3)ccnc2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3ccccc3F)ccnc2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3ccoc3)ccnc2c1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
CS(=O)(=O)c1cn[nH]c1C1CCCN(C1)c1ccc2ncnc(N)c2n1
CS(=O)(=O)c1cncnc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
CSc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
C[C@@H](O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O |r|
C[C@@H](O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12 |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Cl)cc1Cl |r,c:3|
C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(NC(C)=O)cc1 |r,c:3|
C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(cc1)-c1ccccc1 |r,c:3|
C[C@H](O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O |r|
C[C@H](O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12 |r|
C[C@H](Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O |r|
C[C@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Br)cc1 |r,c:3|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
C[N+]1([O-])CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1
C[NH+]1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1c[nH]nc1-c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Cc1c[nH]nc1-c1cccc(c1)-c1ccc2ncnc(N)c2n1
Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1cc(C)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(C)c1
Cc1cc(C)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c(C)c1
Cc1cc(C)c2c(N)c(sc2n1)C#N
Cc1cc(C)nc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1cc(Cl)ccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
Cc1cc(F)ccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
Cc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2COC2)-c2ccc(F)cc2)c(F)cn1
Cc1cc(NC(=O)c2ccc(o2)-c2c(ncn2C2COCC2F)-c2ccc(F)cc2)c(F)cn1
Cc1cc(OCCO)ccc1-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
Cc1cc(ccn1)-c1ccc2ncnc(N)c2c1
Cc1cc(ccn1)-c1ccc2ncnc(N)c2n1
Cc1cc(cnc1N)-c1cccc(N)c1
Cc1ccc(C)c(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
Cc1ccc(CC2CCN(C2)c2ccc3ncnc(N)c3n2)nc1
Cc1ccc(Cl)cc1-c1ccc2ncnc(N)c2c1
Cc1ccc(Cl)cc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(C)c1
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1Cl
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1F
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c(C)c1
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c(Cl)c1
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1C
Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1Cl
Cc1ccc(Oc2ccc3ncnc(N)c3n2)cc1
Cc1ccc(Oc2ccc3ncnc(N)c3n2)cn1
Cc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(O)=O
Cc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)cc1
Cc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(nc1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Cc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1
Cc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c1C
Cc1cccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)c1C
Cc1cccc(Oc2ccc3ncnc(N)c3n2)c1
Cc1cccc(c1)-c1cc(Nc2ccnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)ccn1
Cc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)|
Cc1cccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1cccc(n1)C1CCN(CC1)c1ccc2ncnc(N)c2n1
Cc1ccccc1-c1cc(Nc2ccnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)ccn1
Cc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
Cc1ccccc1CNc1ccc2ncnc(N)c2n1
Cc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
Cc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Cc1ccccc1Oc1ccc2ncnc(N)c2n1
Cc1ccnc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1cn(C)nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnn(C)c1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(no1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1nc(no1)C1CCN(CC1)c1ccc2ncnc(N)c2n1
Cc1nccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1nccc(n1)C1CCN(C1)c1ccc2ncnc(N)c2n1
Cc1ncccc1Oc1ccc2ncnc(N)c2n1
Cc1noc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cc1noc(n1)C1CCN(C1)c1ccc2ncnc(N)c2n1
Cc1onc(N)c1-c1cccc(N)c1
ClC1NC=Nc2c(cn(c12)-c1ccccc1)-c1ccc(OCC2CCNC2)cc1 |c:3|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
Clc1cccc(c1)-c1ccc2ncnc(NC3CC3)c2c1
Clc1cccc(c1)-c1ccc2ncnc(NC3CCC3)c2c1
Clc1cccc(c1)-c1ccc2ncnc(Nc3ccncc3)c2c1
Clc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
Clc1ccccc1-c1cc2cc(NC(=O)C3CC3)ncc2[nH]1
Clc1ccccc1-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
Cn1c(cnc1-c1ccc(cc1)C(N)=O)-c1ccc(Cl)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(O)=O
Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1ccnc1CC1CCCN(C1)c1ccc2ncnc(N)c2n1
Cn1ccnc1CC1CCN(C1)c1ccc2ncnc(N)c2n1
Cn1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1cncc1C1CCN(C1)c1ccc2ncnc(N)c2n1
Cn1cncc1C1CCN(CC1)c1ccc2ncnc(N)c2n1
Cn1cnnc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cn1nc(cc1O)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 |r|
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
FC(F)(F)Cn1c(cc2cc(NC(=O)C3CC3)ncc12)-c1ccccc1Cl
FC(F)CNc1ncnc2ccc(cc12)-c1cccc(Cl)c1
FC1COCC1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1
FC1COCC1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncn1)-c1ccc(F)cc1
F[C@@H]1COC[C@H]1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
Fc1cc(ccn1)-c1ccc2ccncc2n1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Fc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(NC(=O)c2ccccc2F)o1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc([nH]1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cc(F)ccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Br)cc1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)c(F)c1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)cc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cccc(F)c1
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Br
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1C(F)(F)F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(s1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cnc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc([nH]1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc(s1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1nnc([nH]1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(Cl)cc1F
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)c(F)c1
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccc(F)cc1F
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1cccc(F)c1
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl
Fc1ccc(cc1)-c1ncn(C2CCCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCNC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2CCOC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(C2COC2)c1-c1ccc(o1)C(=O)Nc1cc[nH]c(=O)c1
Fc1ccc(cc1)-c1ncn(C2COCC2(F)F)c1-c1ccc(o1)C(=O)Nc1cc[nH]c(=O)c1
Fc1ccc(cc1)-c1ncn(C2COCC2(F)F)c1-c1ccc(o1)C(=O)Nc1ccncn1
Fc1ccc(cc1)-c1ncn(CC(F)(F)F)c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC(F)(F)F)CC1
Fc1ccc(cc1)-c1ncn(CC(F)(F)F)c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCNCC1
Fc1ccc(cc1)-c1ncn(CC2CCCN2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(CC2CCCO2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(CC2CCNC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(CC2CCOC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1ccc(cc1)-c1ncn(CC2CCOC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F
Fc1ccc(cc1)C1=C(C(CC2CCCC2)C=N1)c1ccc(o1)C(=O)Nc1ccccc1F |c:18,t:8|
Fc1ccc(cn1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F
Fc1cccc(F)c1-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12 |(-3.42,.87,;-3.02,2.35,;-4.11,3.44,;-3.71,4.93,;-2.22,5.33,;-1.13,4.24,;.35,4.64,;-1.53,2.75,;-.44,1.66,;-.92,.2,;.33,-.71,;.33,-2.25,;-1.01,-3.02,;-1.01,-4.56,;.33,-5.33,;1.66,-4.56,;1.66,-3.02,;1.57,.2,;3.08,-.12,;4.11,1.02,;3.63,2.49,;2.13,2.81,;1.73,4.29,;1.1,1.66,)|
Fc1cccc(c1)-c1ccc2ncnc(NC3CCC3)c2n1
Fc1cccc(c1)-c1ccc2ncnc(NCC3CC3)c2n1
Fc1cccc(c1)-n1cc(-c2ccc(cc2)N2CCCC2=O)c2c1nc[nH]c2=O
Fc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
Fc1ccccc1-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
Fc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1cccnc1
Fc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccncc1
Fc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1cncnc1
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
N#Cc1cc2c(Nc3ccncc3)ncnn2c1
N#Cc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
N(c1cccnc1)c1ncnn2cccc12
N(c1ccncc1)c1ncnn2cc(cc12)-c1ccccc1
N(c1ccncc1)c1ncnn2cccc12
N(c1cn[nH]c1)c1ncnn2cccc12
NC(=O)C1CCN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
NC(=O)C1CN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
NC(=O)Cc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
NC(=O)c1cc(Cl)cc(c1)-c1ccc2ncnc(N)c2c1
NC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
NC(=O)c1ccc(Oc2ccc3ncnc(N)c3n2)cc1
NC(=O)c1ccc(cc1)-c1cc(ccn1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
NC(=O)c1cccc(c1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
NC(=O)c1cccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
NC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
NCC(=O)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
NCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
NCc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
NCc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
NS(=O)(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1
N[C@@H]1CCCN(C1)c1ccc2ncnc(N)c2n1 |r|
N[C@H]1CCCN(C1)c1ccc2ncnc(N)c2n1 |r|
Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Nc1cc(F)cc(c1)-c1ccc2ncnc(NC(=O)CN3CCCC3)c2n1
Nc1cc(ccc1F)-c1ccc2ncnc(N)c2c1
Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1
Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Nc1cccc(c1)-c1ccc(N)nc1
Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
Nc1cccc(c1)-c1cccnc1N
Nc1cccc(c1)-c1cnc(N)nc1
Nc1cccc(c1)-c1cnco1
Nc1nc(N)c2ccc(cc2n1)-c1cccc(Cl)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(N)c2nc(ccc2n1)-c1cccc(Cl)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Nc1ncc(Br)c2ccc(nc12)-c1ccnc(F)c1
Nc1ncc(C(=O)NC2CC(O)C2)c2ccc(cc12)-c1cccc(F)c1 |(-1.33,2.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-.26,-3.69,;-2.66,-3.85,;-2.65,-5.4,;-3.73,-6.44,;-2.64,-7.52,;-2.63,-8.75,;-1.55,-6.43,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;5.34,5.08,;4,3.08,)|
Nc1ncc(C(=O)NC2CC2)c2ccc(cc12)-c1cccc(F)c1
Nc1ncc(C(=O)NC2CC2)c2ccc(nc12)-c1cccc(F)c1
Nc1ncc(C(=O)NC2CN(C2)C(=O)C2CC2)c2ccc(nc12)-c1cccc(F)c1
Nc1ncc(C(=O)NC2CNC2)c2ccc(cc12)-c1cccc(F)c1
Nc1ncc(C(=O)NCC#N)c2ccc(cc12)-c1cccc(F)c1
Nc1ncc(C(=O)N[C@@H]2C[C@H](O)C2)c2ccc(nc12)-c1cccc(F)c1 |r,wD:8.7,10.10,(1.33,2.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;.27,-3.7,;2.67,-3.85,;2.67,-5.39,;3.76,-6.42,;2.67,-7.51,;2.67,-8.74,;1.58,-6.42,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-7.75,.92,;-5.35,.77,)|
Nc1ncc(C(=O)N[C@H]2CCC[C@@H](O)C2)c2ccc(cc12)-c1cccc(F)c1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cc[nH]c(=O)c1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(=O)[nH]c1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(CCC(O)=O)cc1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(NCC(O)=O)nc1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(OC2(CCCC2)C(O)=O)cc1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(OCC(O)=O)cc1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)-c1nn[nH]n1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCCC1)C#N
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCCC1)C(O)=O
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCCC1)c1nn[nH]n1
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCOCC1)C(O)=O
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(nc1)C(O)=O
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc2[C@@H](CCc2c1)C(O)=O |r|
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc2[C@H](CCc2c1)C(O)=O |r|
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cccc(c1)C(O)=O
Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccccc1
Nc1ncc(cc1-c1ccc(F)cc1)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1-c1ccc(cc1)C#N)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1-c1cccc(Cl)c1)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1-c1ccccc1)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1-c1ccccc1Cl)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1COc1ccccc1)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1OCC1CCC1)-c1ccc(cc1)C(O)=O
Nc1ncc(cc1OCc1ccccc1)-c1ccc(cc1)C(O)=O
Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Nc1nccc2cc(ccc12)-c1cccc(Cl)c1
Nc1ncnc2c(cc(cc12)-c1cccc(F)c1)C#N
Nc1ncnc2c(cc(cc12)-c1cccc(F)c1)C(=O)N1CC(O)C1
Nc1ncnc2c(cc(cc12)-c1cccc(F)c1)C(=O)NC1COC1
Nc1ncnc2c(cc(cc12)-c1cccc(F)c1)C(=O)NCCN1CCCC1
Nc1ncnc2ccc(NC3CCCC3)nc12
Nc1ncnc2ccc(NCCc3ccc(F)cc3)nc12
Nc1ncnc2ccc(NCc3ccc(Cl)cc3)nc12
Nc1ncnc2ccc(NCc3cccc(Cl)c3)nc12
Nc1ncnc2ccc(NCc3cccc(c3)N3CCCC3)nc12
Nc1ncnc2ccc(NCc3ccccc3)nc12
Nc1ncnc2ccc(NCc3ccccc3Cl)nc12
Nc1ncnc2ccc(NCc3ccccc3F)nc12
Nc1ncnc2ccc(NCc3cnccn3)nc12
Nc1ncnc2ccc(Oc3ccc(F)c(F)c3)nc12
Nc1ncnc2ccc(Oc3ccc(F)cc3F)nc12
Nc1ncnc2ccc(Oc3ccc(cc3)C#N)nc12
Nc1ncnc2ccc(Oc3cccc(Cl)c3)nc12
Nc1ncnc2ccc(Oc3cccc(F)c3)nc12
Nc1ncnc2ccc(Oc3cccc(c3)C#N)nc12
Nc1ncnc2ccc(Oc3ccccc3)nc12
Nc1ncnc2ccc(Oc3ccccc3C#N)nc12
Nc1ncnc2ccc(Oc3ccccc3Cl)nc12
Nc1ncnc2ccc(Oc3ccccc3F)nc12
Nc1ncnc2ccc(Oc3cccnc3)nc12
Nc1ncnc2ccc(Oc3ccncc3)nc12
Nc1ncnc2ccc(cc12)-c1cc(Cl)cc(Cl)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(Cl)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(F)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)C2CCC2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)C2CCCO2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)C2CCOCC2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CC2CC2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CC2CCCO2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CN2CCCC2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CN2CCOCC2)c1
Nc1ncnc2ccc(cc12)-c1cc(F)cc(c1)C#N
Nc1ncnc2ccc(cc12)-c1ccc(F)cc1
Nc1ncnc2ccc(cc12)-c1ccc(cc1)C#N
Nc1ncnc2ccc(cc12)-c1cccc(CC(=O)NC2CCCC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(CCO)c1
Nc1ncnc2ccc(cc12)-c1cccc(Cl)c1
Nc1ncnc2ccc(cc12)-c1cccc(F)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)C(F)F)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)C2CC2(F)F)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)C2CCC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)C2CCCO2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)C2CCOC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)C2CCOCC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CC(F)(F)F)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CC2CC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CC2CCCO2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CN2CCCC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CN2CCCC2=O)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CN2CCOCC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)NC2CCCC2)c1
Nc1ncnc2ccc(cc12)-c1cccc(O)c1
Nc1ncnc2ccc(cc12)-c1cccc(c1)C#N
Nc1ncnc2ccc(cc12)-c1ccccc1
Nc1ncnc2ccc(cc12)-c1ccccc1F
Nc1ncnc2ccc(cc12)-c1ccnc(NCCN2CCCC2)c1
Nc1ncnc2ccc(cc12)-c1ccncc1
Nc1ncnc2ccc(cc12)-c1cncc(c1)C#N
Nc1ncnc2ccc(cc12)N1CCCCC1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CC(F)(F)C2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCC(C2)N2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCC(CO)CC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCC(O)CC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCCC(CO)C2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCCC(O)C2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCC[C@@H](O)C2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2CCN(CCO)CC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CN2C[CH]C2)c1 |^1:20|
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2CC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2CCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2COC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNCC2CC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNCC2CCOC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNCC2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNCCN2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNCCN2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NC(=O)CC2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NC(=O)CN2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NC2(CN3CCCC3)COC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NCCN2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NS(=O)(=O)CCN2CCCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NS(=O)(=O)CCN2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(NS(=O)(=O)N2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(c1)C(=O)NC1CC(O)C1 |(-6.94,14.06,;-6.94,12.52,;-8.28,11.75,;-8.28,10.21,;-6.94,9.44,;-5.61,10.21,;-4.28,9.44,;-2.94,10.21,;-2.94,11.75,;-4.28,12.52,;-5.61,11.75,;-1.61,12.52,;-1.61,14.06,;-.28,14.83,;-.28,16.37,;1.06,14.06,;1.06,12.52,;-.28,11.75,;2.39,11.75,;2.39,10.21,;3.72,12.52,;5.06,11.75,;5.46,10.26,;6.94,10.66,;8.28,9.89,;6.55,12.15,)|
Nc1ncnc2ccc(nc12)-c1cc(F)cc(c1)C(=O)NCCN1CCCC1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(c1)C(=O)NCCN1CCOCC1
Nc1ncnc2ccc(nc12)-c1cc(F)cc(c1)C(=O)NCCO
Nc1ncnc2ccc(nc12)-c1cc[nH]c(=O)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNC2CC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNC2CCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNC2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNC2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNC2COC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNCC2CC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNCC2CCOC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNCC2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNCCN2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(CNCCN2CCOCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(Cl)c1
Nc1ncnc2ccc(nc12)-c1cccc(F)c1
Nc1ncnc2ccc(nc12)-c1cccc(O)c1
Nc1ncnc2ccc(nc12)-c1cccc(OC(F)F)c1
Nc1ncnc2ccc(nc12)-c1cccc(OCCN2CCCC2)c1
Nc1ncnc2ccc(nc12)-c1cccc(Oc2ccccn2)c1
Nc1ncnc2ccc(nc12)-c1cccc(c1)C(=O)NC1CC(O)C1 |(-6.94,14.83,;-6.94,13.29,;-8.28,12.52,;-8.28,10.98,;-6.94,10.21,;-5.61,10.98,;-4.28,10.21,;-2.94,10.98,;-2.94,12.52,;-4.28,13.29,;-5.61,12.52,;-1.61,13.29,;-1.61,14.83,;-.28,15.6,;1.06,14.83,;1.06,13.29,;-.28,12.52,;2.39,12.52,;2.39,10.98,;3.72,13.29,;5.06,12.52,;5.46,11.03,;6.94,11.43,;8.28,10.66,;6.55,12.92,)|
Nc1ncnc2ccc(nc12)-c1cccc(c1)C(=O)NC1CCC1
Nc1ncnc2ccc(nc12)-c1cccc(c1)C(=O)NCCN1CCCC1
Nc1ncnc2ccc(nc12)-c1cccc(c1)C(=O)NCCN1CCOCC1
Nc1ncnc2ccc(nc12)-c1cccc(c1)C(=O)NCCO
Nc1ncnc2ccc(nc12)-c1cccc(c1)C1CC1CN1CCCC1
Nc1ncnc2ccc(nc12)-c1ccnc(F)c1
Nc1ncnc2ccc(nc12)-c1ccnc(c1)C(F)(F)F
Nc1ncnc2ccc(nc12)N1CCC(C1)C(F)(F)F
Nc1ncnc2ccc(nc12)N1CCC(C1)N1CCOCC1
Nc1ncnc2ccc(nc12)N1CCC(C1)c1cc[nH]n1
Nc1ncnc2ccc(nc12)N1CCC(C1)c1ccncc1
Nc1ncnc2ccc(nc12)N1CCC(CC1)C(=O)N1CCCC1
Nc1ncnc2ccc(nc12)N1CCC(CC1)c1ccn[nH]1
Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
Nc1ncnc2ccc(nc12)N1CCC(Cc2cccnc2)C1
Nc1ncnc2ccc(nc12)N1CCC(Cc2ccncc2)C1
Nc1ncnc2ccc(nc12)N1CCC(Cc2ncccn2)C1
Nc1ncnc2ccc(nc12)N1CCCC(C1)C(F)(F)F
Nc1ncnc2ccc(nc12)N1CCCC(C1)N1CCOCC1
Nc1ncnc2ccc(nc12)N1CCCC(C1)c1cc([nH]n1)C(F)(F)F
Nc1ncnc2ccc(nc12)N1CCCC(C1)c1cc[nH]n1
Nc1ncnc2ccc(nc12)N1CCCC(C1)c1ccccn1
Nc1ncnc2ccc(nc12)N1CCCC(C1)c1ccncn1
Nc1ncnc2ccc(nc12)N1CCCC(C1)c1cnccn1
Nc1ncnc2ccc(nc12)N1CCCC(C1)c1ncc[nH]1
Nc1ncnc2ccc(nc12)N1CCCC(CO)C1
Nc1ncnc2ccc(nc12)N1CCCC(Cc2cnccn2)C1
Nc1ncnc2ccc(nc12)N1CCCC(Cc2ncccn2)C1
Nc1ncnc2ccc(nc12)N1CCCCC1
Nc1ncnc2ccc(nc12)N1CCC[C@@H](C1)NC(=O)CCN1CCCC1 |r|
Nc1ncnc2ccc(nc12)N1CCC[C@H](C1)NC(=O)CCN1CCCC1 |r|
Nc1ncnc2ccc(nc12)N1CCN2CCCC2C1
Nc1ncnc2ccc(nc12)N1CCOC(C1)C(=O)NC1CCCC1
Nc1ncnc2ccc(nc12)N1CCOC(C1)c1cc[nH]n1
Nc1ncnc2cnc(cc12)-c1cccc(F)c1
Nc1ncnc2ncc(cc12)-c1cccc(Cl)c1
Nc1ncnc2sc3CCCCc3c12
Nc1ncnn2cccc12
O(c1cccnc1)c1ncnn2cccc12
O=C(CN1CCOCC1)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(N1CCC1)c1cc2c(Nc3ccncc3)ncnn2c1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(N1CCOCC1)c1cc2c(Nc3ccncc3)ncnn2c1
O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
O=C(Nc1ccc(CN2CCN(CC2)c2ccccc2)cc1)c1n[nH]c2ccccc12
O=C(c1cc2c(Nc3ccncc3)ncnn2c1)c1nnn[nH]1
O=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1
O=C(c1cn[nH]c1)c1cc2c(Nc3ccncc3)ncnn2c1
O=C1CCCCN1c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
O=C1CCCN1c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
O=C1NCCN1c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
O=c1[nH]cnc2c(cn(-c3ccccc3)c12)-c1ccc(OCCCN2CCOCC2)cc1
O=c1[nH]cnc2c(cn(-c3ccccc3)c12)-c1ccc(cc1)C#N
O=c1[nH]cnc2c(cn(-c3ccccc3)c12)-c1cccc(c1)C#N
O=c1[nH]cnc2c(cn(-c3ccccc3)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3ccc(Cn4ccnc4)cc3)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3ccc(OCC4CNC4)cc3)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3ccc(OCCCN4CCOCC4)cc3)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3ccc(cc3)C#N)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3ccc(cc3)N3CCCC3)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3cccc(c3)C#N)c12)-c1ccccc1
O=c1[nH]cnc2n(cc(-c3ccccc3)c12)-c1ccc(Cn2ccnc2)cc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
OC(=O)Cc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OC(=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
OC(=O)c1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
OC(=O)c1cccc(c1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
OC(COc1ccc(cc1)-c1cn(-c2cccc(F)c2)c2nc[nH]c(=O)c12)CN1CCOCC1
OC(COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O)CN1CCCC1
OC(COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O)CN1CCOCC1
OC(COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12)CN1CCOCC1
OC(COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12)CN1CCOCC1=O
OC(COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12)CN1CCS(=O)(=O)CC1
OC(COc1ccc(cc1C#N)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12)CN1CCOCC1
OC1(COc2ccc(cc2)-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)COC1
OC1CCN(C1)C(=O)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCC(=O)Nc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCC(O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2c1nc[nH]c2=O
OCC(O)COc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCCC#Cc1nc(c(-c2ccncc2)n1C#C)-c1ccc(F)cc1
OCCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCCN1CCN(C1=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCCN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wD:29.32,(-11.47,1.09,;-9.93,1.09,;-9.16,-.25,;-7.62,-.25,;-6.85,-1.58,;-5.31,-1.58,;-4.54,-.25,;-5.31,1.09,;-6.85,1.09,;-3,-.25,;-2.23,-1.58,;-.69,-1.58,;.08,-.25,;1.62,-.25,;2.39,1.09,;1.62,2.42,;3.93,1.09,;4.84,2.33,;6.3,1.86,;6.3,.32,;4.84,-.16,;7.55,-.59,;9.01,-.11,;9.92,-1.36,;9.01,-2.6,;7.55,-2.13,;6.3,-3.03,;6.46,-4.56,;5.22,-5.47,;3.81,-4.84,;2.56,-5.75,;3.65,-3.31,;4.89,-2.41,;9.49,1.35,;10.99,1.67,;11.47,3.14,;10.44,4.28,;10.91,5.75,;8.93,3.96,;8.46,2.5,;-.69,1.09,;-2.23,1.09,)|
OCCNC(=O)c1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c(F)c1
OCCOc1ccc(cc1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCCOc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OCCn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
OCc1cc2c(Nc3ccncc3)ncnn2c1
OCc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
OCc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
OCc1cccc(c1)-c1cn(-c2ccccc2)c2nc[nH]c(=O)c12
O[C@@H]1CCC[C@H]1n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Oc1cncc(F)c1NC(=O)c1ccc(o1)-c1c(ncn1C1COC1)-c1ccc(F)cc1
Oc1cncc(F)c1NC(=O)c1ccc(o1)-c1c(ncn1C1COCC1(F)F)-c1ccc(F)cc1
Oc1cncc(F)c1NC(=O)c1ccc(o1)-c1c(ncn1C1COCC1F)-c1ccc(F)cc1
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|