815 SMILES Strings for Bromodomain-containing protein 3

Compound Name
SMILES String
CC(=O)N1CC(C1)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CC(=O)N1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
CC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(-c3ccc(C)o3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(-c3ccccc3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(F)ccc3F)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(C)c(F)c3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)c(Cl)c3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)c(F)c3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)cc3F)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(cc3)C(C)=O)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccc(Cl)c3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccc(c3)C(C)=O)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3)n(-c3ccccc3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3C)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3Cl)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3F)n(Cc3ccco3)c(=O)c21
CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccnc3C)n(Cc3ccco3)c(=O)c21
CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)-c1cnc(nc1)C(N)=O)C1CC1 |r|
CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
CC(=O)Nc1cc(nn2c(C)nnc12)N1C(c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2c1)c1ccc(Cl)cc1
CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1
CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
CC(=O)Nc1cn(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |r|
CC(=O)c1cc(-c2ccccn2)c2ccccn12
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)COC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:10|
CC(C)OC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:9|
CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCN(CCN(C)C)CC2)-c2ccc(cc2)C(F)(F)F)c1
CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r|
CC(C)c1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:9|
CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
CC(C)n1c(C)nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1 |r|
CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1 |r|
CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1 |r|
CC(C)n1c(C)nc2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CC(C)n1c(C)nc2[C@H](N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 |r|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1c(C)noc1C |(1.81,-1.51,;2.9,-.43,;4.39,-.82,;2.5,1.06,;3.41,2.31,;2.5,3.55,;1.04,3.08,;-.43,3.55,;-1.2,4.89,;-1.33,2.31,;-.43,1.06,;1.04,1.54,;-.83,-.43,;-2.31,-.82,;-2.71,-2.31,;-1.62,-3.4,;-2.02,-4.89,;-.14,-3,;.26,-1.51,;-2.87,2.31,;-3.25,.81,;-4.73,.39,;-5.11,-1.1,;-5.84,1.47,;-7.32,1.05,;-5.46,2.96,;-6.56,4.03,;-3.98,3.38,;4.95,2.31,;5.85,3.55,;5.08,4.89,;7.32,3.08,;7.32,1.54,;5.85,1.06,;5.08,-.27,)|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1ccc[nH]1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1cnc(C)s1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1cncs1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1nccs1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1sc(C)nc1C
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)C1CC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)C1CCCC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C1=CCOCC1 |t:37|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C1CC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1)C1=CCOCC1 |t:37|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)-c1ncco1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CC(C)(C)NC(C)(C)C1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCCN(C)C1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(C)CC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(CC1)C(=O)NC(C)(C)C |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(CC1)C(C)=O |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(CC1)S(C)(=O)=O |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCNCC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCOC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCOCC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCN(C)CC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCN(CC(C)(C)C)CC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCNCC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCOCC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1=CCOCC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCN(C)CC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCOC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCOCC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1)C1=CC(C)(C)NC(C)(C)C1 |t:36|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1)C1=CCCN(C)C1 |t:36|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1)C1=CCOC1 |t:36|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1)C1=CCOCC1 |t:36|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1=CCN(C)CC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1=CCOCC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOCC1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1)C1=CCOCC1 |t:35|
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1ccc(=O)n(C)c1)-c1ccccn1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1ccc(=O)n(C)c1)-c1ccn(C)n1
CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1ccc(=O)n(C)c1)-c1ccnn1C
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1nccs1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCCN(C)C1 |r,t:35|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCOC1 |r,t:35|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCOCC1 |r,t:35|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CC1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1CCOCC1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1=CCOCC1 |r,t:35|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCOC1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1CCOCC1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1=CCOCC1 |r,t:35|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOC1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOCC1 |r|
CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1)C1=CCOCC1 |r,t:35|
CC(C)n1cc2C(N(C(=O)c2n1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CC(C)n1cc2C(N(C(=O)c2n1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
CC(C)n1cnc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
CC(C)n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F
CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
CC(C)n1nc(C)c2[C@@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F |r|
CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1
CC(C)n1ncc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CC(C)n1ncc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
CC1=C2C(N(C(=O)C2=[N](N1)C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |c:1,8|
CCC(=O)N1CCc2c(C1)sc1[nH]c(=O)n(C3CCCCC3)c(=O)c21
CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
CCCn1c(nc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cc(OC)ncc1F
CCCn1c(nc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cncc(c1)C#N
CCN(C1CCCC1)S(=O)(=O)c1cc(ccc1OC)-c1c(C)noc1C
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(=O)CO)c2CC)c1
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1
CCN1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:5|
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
CCNC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)-c1cn(C)nn1
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
CCNC(=O)c1ccc(OCc2cccc(C)n2)c(c1)-c1cn(C)nn1
CCNS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C
CCOC(=O)N1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCOC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CCOC(=O)N1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CCOC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:8|
CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |t:7|
CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
CCOC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
CCOC(=O)Nc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
CCOC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)|
CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |t:17|
CCOC(=O)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCOC(=O)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCOC(=O)n1ccc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCOCc1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:10|
CCOc1c2C(N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CCOc1ccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)cc1
CCOc1ccccc1NC(=O)CSc1nc2sc3CN(CCc3c2c(=O)n1Cc1ccco1)C(C)=O
CCOc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CCOc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1 |(1.05,4.4,;.13,3.57,;-1.35,4.05,;-1.84,5.52,;-3.39,5.51,;-3.86,4.03,;-2.59,3.15,;-2.58,1.59,;-3.83,.85,;-3.83,-.63,;-2.58,-1.37,;-1.27,-.63,;,-1.37,;1.27,-.63,;2.56,-1.37,;3.87,-.63,;5.21,-1.41,;5.36,-2.94,;4.43,-3.77,;6.87,-3.26,;7.65,-1.92,;6.61,-.77,;6.86,.45,;3.87,.85,;5.21,1.63,;5.21,2.88,;2.56,1.59,;1.27,.85,;-1.27,.85,;-5.33,3.53,;-5.75,2.04,;-7.25,1.66,;-8.34,2.77,;-7.92,4.26,;-6.41,4.65,)|
CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)Cc1cccc(c1)C(N)=O
CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC
CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(OCC(N)=O)c1
CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1
CCc1c2C(N(C(=O)c2nn1C(=O)N(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CCc1c2C(N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CCc1c2C(N(C(=O)c2nn1CCO)c1cc(C)c2onc(C)c2c1)c1ccc(Cl)cc1
CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)|
CCc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CCc1nn(C(=O)N(C)C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CCc1nn(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1
CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1
CCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
CCc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
CCc1nn(CCO)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CCc1nn(CCO)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2onc(C)c2c1
CCc1nn(CCOC)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CCc1nn(CCOC)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCc1nn(CCOCC(F)(F)F)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1
CCc1nn(c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1cnc(OC)nc1OC
CCn1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1 |r|
CCn1c(C)nc2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CCn1c(C)nc2[C@H](N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 |r|
CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
CCn1c(nc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1ccc(OC)nc1
CCn1c(nc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1ccnn1C
CCn1c(nc2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1ccc(OC)nc1 |r|
CCn1c(nc2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1OC |r|
CCn1cc(cn1)-c1ccc-2c(c1)C(CCc1nnc(C)n-21)Nc1ccc(Cl)cc1
CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F
CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
CCn1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F |r|
CCn1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F |r|
CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NC)C1CC1 |(34.96,-28.14,;33.49,-28.62,;32.34,-27.6,;32.49,-26.07,;31.08,-25.45,;30.06,-26.6,;30.85,-27.93,;30.23,-29.34,;31.14,-30.58,;32.66,-30.41,;33.58,-31.65,;32.96,-33.05,;31.44,-33.22,;30.55,-34.48,;29.08,-34.01,;27.74,-34.79,;26.4,-34.02,;25.07,-34.79,;24.91,-36.32,;26.05,-37.35,;23.4,-36.64,;22.63,-35.31,;23.67,-34.16,;23.35,-32.66,;26.4,-32.47,;25.07,-31.7,;25.07,-30.16,;27.73,-31.7,;29.07,-32.47,;30.53,-31.98,;35.11,-31.48,;35.73,-30.07,;36.02,-32.72,;35.4,-34.13,;30.74,-23.95,;31.21,-22.48,;29.7,-22.81,)|
CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
CCn1nc2C(=O)N(C(c2c1C)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1
CN(C(=O)OC(C)(C)C)c1cc(nn2c(C)nnc12)N1C(c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
CN(C)C(=O)Cn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN(C)C(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CN(C)C(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
CN(C)C(=O)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN(C)C(=O)n1ccc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN(C)C(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CN(C)C(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CN(C)C(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CN(C)C(=O)n1nc2C(=O)N([C@@H](c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
CN(C)CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2c1)c1ccc(Cl)cc1
CN(C)CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CN(C)CCC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1
CN(C)CCC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(C)cc(C)c2)n1
CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
CN(C)CCNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CN(C)CCn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN(C)c1ccc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CN(C)c1cccc(n1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CN(C)c1ncc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CN1C=C(C2C=CNC2C1=O)c1ccc2ccn(Cc3ccccn3)c2c1 |c:2,5|
CN1CC(C1)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CN1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
CN1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CN1CC(C1)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CN1CC(C1)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CN1CC(C1)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN1CCC(=CC1)c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |c:4|
CN1CCC(=CC1)c1nc2C(=O)N(C(c2n1C1COC1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1 |c:4|
CN1CCC(C1=O)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1
CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1
CN1Cc2cc(ccc2N(C)C1=O)S(=O)(=O)N1CCOCC1
CN1N=NC2C=CC(=CC12)N1C(c2c(nc(C3=CCOCC3)n2C2COC2)C1=O)c1ccc(Cl)cc1 |c:2,5,7,t:18|
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|
CNC(=O)CN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(OC)c(C)c1
CNC(=O)Cn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CNC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1
CNC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C
CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(o1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(37.7,-21.47,;37.72,-23.01,;39.06,-23.76,;40.13,-23.13,;39.09,-25.31,;40.34,-26.21,;39.89,-27.68,;40.8,-28.93,;40.3,-30.06,;42.33,-28.74,;43.08,-30.04,;44.58,-30.04,;45.33,-31.34,;44.58,-32.63,;45.33,-33.93,;43.08,-32.63,;42.33,-31.34,;38.35,-27.68,;37.84,-26.23,;37.45,-28.93,;38.07,-30.3,;35.91,-28.79,;35,-30.05,;33.47,-29.9,;32.83,-28.49,;33.73,-27.23,;35.27,-27.39,)|
CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n(n1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(22.91,-23.78,;24.32,-23.16,;25.57,-24.06,;26.97,-23.43,;25.41,-25.6,;26.55,-26.62,;25.92,-28.03,;26.69,-29.36,;25.92,-30.69,;28.23,-29.36,;29,-30.69,;30.54,-30.69,;31.31,-32.02,;30.54,-33.36,;31.31,-34.69,;29,-33.36,;28.23,-32.02,;24.4,-27.87,;24.07,-26.37,;23.36,-29.01,;23.84,-30.47,;21.86,-28.69,;21.38,-27.23,;19.88,-26.9,;18.85,-28.05,;19.32,-29.52,;20.83,-29.83,)|
CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
CNC(=O)c1cc(cn(Cc2cccc3[nH]ccc23)c1=O)C(=O)NC1CC1
CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NC1CC1
CNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1
CNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
CNC(=O)c1cccn(Cc2ccccc2)c1=O
CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2c1)c1ccc(Cl)cc1
CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1
CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
CNC(=O)c1ncc2c(n1)[nH]c1cc(-c3c(C)noc3C)c(OC)cc21 |(37.06,-38.62,;37.68,-37.21,;36.77,-35.97,;37.39,-34.56,;35.24,-36.14,;34.32,-34.9,;32.8,-35.07,;32.19,-36.47,;33.1,-37.71,;34.62,-37.54,;32.2,-38.97,;30.73,-38.5,;29.39,-39.28,;28.06,-38.51,;26.73,-39.28,;26.57,-40.81,;27.71,-41.84,;25.06,-41.13,;24.29,-39.8,;25.32,-38.65,;25,-37.15,;28.06,-36.96,;26.73,-36.19,;26.73,-34.65,;29.39,-36.19,;30.72,-36.95,)|
CNC(=O)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CNC(=O)n1ccc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CNC(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
CNC(=O)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
CNC(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
CNC(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |c:2|
CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:2|
CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r,c:2|
CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r,c:2|
CNc1cc(nn2c(C)nnc12)N1C(c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
CNc1cc(nn2c(C)nnc12)N1[C@@H](c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1 |r|
COC(=O)N1CCC(=CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:7|
COC(=O)N1CCC(CC1)c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)C(C)(C)C)c2c1)C(C)=O |r|
COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cc3)S(C)(=O)=O)c2c1)C(C)=O |r|
COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
COC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1
COC(=O)c1cccc(c1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cc3)c2c1)C(C)=O |r|
COCC(=O)N1CC(C1)n1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COCCNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |c:5|
COCCNS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C
COCCn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COCCn1nc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)|
COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)|
COCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(N)c2nnc(C)n2c1 |r|
COCn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,5.8,wD:2.1,(-5.83,-7.85,;-6.97,-6.82,;-6.65,-5.31,;-5.19,-4.84,;-4.87,-3.33,;-6.01,-2.3,;-7.48,-2.77,;-7.8,-4.28,;-5.69,-.79,;-4.29,-.17,;-4.45,1.37,;-5.95,1.69,;-6.72,3.02,;-8.26,3.02,;-9.03,1.69,;-8.26,.35,;-6.72,.35,;-9.03,4.35,;-8.41,5.76,;-6.9,6.08,;-9.55,6.79,;-10.89,6.02,;-10.57,4.51,;-11.6,3.37,;-2.95,-.94,;-2.95,-2.48,;-1.62,-3.25,;-.29,-2.48,;-.29,-.94,;1.05,-.17,;-1.62,-.17,;-1.62,1.37,;-.29,2.14,;-.29,3.68,;-1.62,4.45,;-1.62,5.99,;-2.95,3.68,;-4.29,4.45,;-2.95,2.14,)|
COc1c2C(N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1cc(F)ccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1
COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
COc1cc(\C=C\C(=O)Nc2ccc3NC(=O)C4(C(CC5CSCN45)C(=O)OC(C)(C)C)c3c2)cc(OC)c1OC
COc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(-c3cccnc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(C)n2C(C)C)C1=O)c1ccc(Cl)cc1
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3=CCCN(C)C3)n2C(C)C)C1=O)c1ccc(Cl)cc1 |t:20|
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3=CCN(C)CC3)n2C(C)C)C1=O)c1ccc(Cl)cc1 |t:20|
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3=CCOCC3)n2C(C)C)C1=O)c1ccc(Cl)cc1 |t:20|
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3CCN(C)CC3)n2C(C)C)C1=O)c1ccc(Cl)cc1
COc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3CCOCC3)n2C(C)C)C1=O)c1ccc(Cl)cc1
COc1cc(cc2n(C)nnc12)N1[C@@H](c2c(nc(-c3cccnc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1 |r|
COc1cc(cc2n(C)nnc12)N1[C@@H](c2c(nc(C3=CCOCC3)n2C(C)C)C1=O)c1ccc(Cl)cc1 |r,t:20|
COc1cc(cc2n(C)nnc12)N1[C@@H](c2c(nc(C3CCOCC3)n2C(C)C)C1=O)c1ccc(Cl)cc1 |r|
COc1cc(ccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C(F)(F)F
COc1cc(ccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C(F)(F)F
COc1cc(cn2c(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
COc1cc(cn2c(C)nnc12)N1C(c2c(nc(C3=CCOCC3)n2C(C)C)C1=O)c1ccc(Cl)cc1 |t:20|
COc1cc(cn2c(C)nnc12)N1C(c2c(nc(C3CC3)n2C(C)C)C1=O)c1ccc(Cl)cc1
COc1cc(cn2c(C)nnc12)N1C(c2c(nc(C3CC3)n2C)C1=O)c1ccc(Cl)cc1
COc1cc(cn2c(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
COc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)|
COc1cc2c(Nc3cccc4cccnc34)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(39.67,-12.44,;39.67,-13.98,;41,-14.75,;42.33,-13.98,;43.67,-14.75,;44.99,-13.97,;44.98,-12.43,;43.65,-11.67,;42.33,-12.45,;40.99,-11.7,;40.98,-10.15,;42.31,-9.37,;42.3,-7.85,;43.62,-7.07,;44.96,-7.83,;44.97,-9.37,;43.64,-10.14,;46.33,-14.73,;46.34,-16.28,;45,-17.06,;43.67,-16.29,;42.33,-17.07,;41,-16.3,;39.67,-17.07,;39.63,-18.61,;40.86,-19.54,;38.16,-19.06,;37.28,-17.79,;38.21,-16.56,;37.76,-15.09,;47.66,-13.96,;49,-14.72,;47.65,-12.42,)|
COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)|
COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C |(65.88,-5.66,;65.88,-7.2,;67.21,-7.97,;68.56,-7.2,;69.89,-7.97,;71.23,-7.2,;71.24,-5.66,;69.91,-4.89,;68.58,-5.66,;67.25,-4.9,;67.25,-3.35,;68.58,-2.58,;69.91,-3.36,;71.25,-2.59,;72.58,-7.98,;72.58,-9.53,;71.23,-10.29,;69.89,-9.53,;68.56,-10.29,;67.21,-9.53,;65.88,-10.29,;65.72,-11.82,;66.87,-12.85,;64.22,-12.14,;63.45,-10.81,;64.47,-9.67,;64.15,-8.16,)|
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)|
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
COc1cc2c3n(-c4ccccc4C(C)(C)C)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(4.94,-26.84,;4.94,-28.38,;6.27,-29.15,;7.6,-28.38,;8.94,-29.14,;10.26,-28.37,;10.57,-26.87,;9.8,-25.54,;8.27,-25.55,;7.49,-24.22,;8.26,-22.87,;9.81,-22.88,;10.57,-24.21,;12.11,-24.21,;12.1,-22.67,;13.6,-24.61,;13.44,-23.43,;12.09,-26.7,;12.85,-25.35,;12.73,-28.09,;11.6,-29.13,;11.61,-30.68,;10.27,-31.45,;8.94,-30.69,;7.61,-31.47,;6.27,-30.7,;4.94,-31.46,;4.9,-33.01,;6.13,-33.94,;3.43,-33.45,;2.55,-32.19,;3.48,-30.96,;3.03,-29.49,)|
COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(-6.72,-26.5,;-6.72,-28.04,;-5.38,-28.81,;-4.06,-28.04,;-2.72,-28.8,;-1.39,-28.03,;-1.09,-26.53,;-1.86,-25.19,;-3.39,-25.2,;-4.17,-23.88,;-3.4,-22.53,;-1.85,-22.53,;-1.09,-23.87,;.45,-23.87,;.43,-26.35,;1.19,-25.01,;1.07,-27.75,;-.06,-28.78,;-.05,-30.34,;-1.38,-31.11,;-2.72,-30.35,;-4.05,-31.12,;-5.39,-30.35,;-6.72,-31.12,;-6.76,-32.66,;-5.53,-33.6,;-8.23,-33.11,;-9.11,-31.85,;-8.18,-30.62,;-8.63,-29.15,)|
COc1cc2c3n(Cc4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(31.17,-25.51,;31.17,-27.05,;32.5,-27.82,;33.83,-27.05,;35.16,-27.81,;36.49,-27.04,;36.8,-25.54,;36.03,-24.21,;36.8,-22.87,;38.33,-22.88,;39.1,-21.55,;38.33,-20.21,;36.78,-20.22,;36.02,-21.55,;38.32,-25.37,;39.08,-24.02,;38.96,-26.76,;37.83,-27.8,;37.84,-29.35,;36.5,-30.12,;35.17,-29.36,;33.83,-30.14,;32.5,-29.37,;31.16,-30.13,;31.13,-31.68,;32.36,-32.61,;29.66,-32.12,;28.78,-30.86,;29.71,-29.63,;29.26,-28.16,)|
COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)|
COc1cc2c3n([C@@H](C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wU:7.7,(17.14,-40.4,;17.14,-41.94,;18.48,-42.71,;19.81,-41.94,;21.14,-42.7,;22.47,-41.93,;22.77,-40.43,;22,-39.09,;20.46,-39.09,;22.77,-37.76,;24.31,-37.76,;25.08,-36.43,;24.31,-35.1,;22.76,-35.1,;22,-36.43,;24.3,-40.25,;25.05,-38.91,;24.93,-41.65,;23.8,-42.68,;23.81,-44.24,;22.48,-45.01,;21.14,-44.24,;19.81,-45.02,;18.48,-44.25,;17.14,-45.02,;17.11,-46.56,;18.33,-47.49,;15.63,-47.01,;14.75,-45.74,;15.68,-44.52,;15.24,-43.04,)|
COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wU:7.7,(68,-36.92,;68,-38.46,;69.33,-39.23,;70.67,-38.46,;72.01,-39.23,;73.35,-38.45,;73.68,-36.93,;72.66,-35.78,;71.15,-36.09,;73.15,-34.32,;72.12,-33.19,;72.6,-31.73,;74.11,-31.41,;75.13,-32.56,;74.65,-34.02,;75.23,-36.78,;76.01,-35.45,;75.86,-38.21,;74.69,-39.24,;74.69,-40.79,;73.35,-41.55,;72.01,-40.79,;70.67,-41.55,;69.33,-40.79,;68,-41.55,;67.84,-43.08,;68.98,-44.11,;66.34,-43.4,;65.56,-42.07,;66.59,-40.93,;66.27,-39.42,)|
COc1cc2c3n([C@H](C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(3.4,-41.04,;3.4,-42.58,;4.73,-43.35,;6.06,-42.58,;7.4,-43.35,;8.72,-42.57,;9.03,-41.07,;8.26,-39.74,;6.72,-39.74,;9.03,-38.41,;10.56,-38.41,;11.34,-37.08,;10.57,-35.74,;9.02,-35.75,;8.25,-37.08,;10.55,-40.9,;11.31,-39.56,;11.19,-42.29,;10.06,-43.33,;10.07,-44.88,;8.73,-45.66,;7.4,-44.89,;6.07,-45.67,;4.73,-44.9,;3.4,-45.67,;3.36,-47.21,;4.59,-48.14,;1.89,-47.65,;1.01,-46.39,;1.94,-45.16,;1.49,-43.69,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
COc1ccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)cc1
COc1ccc(NS(=O)(=O)c2cc(ccc2C)-c2c(C)noc2C)cc1
COc1ccc(NS(=O)(=O)c2cc(ccc2OC)-c2c(C)noc2C)cc1
COc1ccc(cc1)-c1ccc2N(CC[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
COc1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccccc3)c2c1)C(C)=O |r|
COc1ccc(cc1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
COc1ccc(cc1)C1N(C(=O)c2ccn(C)c12)c1cc(C)c(=O)n(C)c1
COc1ccc(cc1)C1N(C(=O)c2ccn(C)c12)c1cc(Cl)c(=O)n(C)c1
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1
COc1ccc(cc1S(=O)(=O)N(C)C1CCCC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)N1CCNCC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)NC1CC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)NCc1ccccc1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1)-c1c(C)noc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1Cl)-c1c(C)noc1C
COc1ccc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2onc(C)c2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(OC)c2nnn(C)c2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ccc(cn1)-c1nc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1
COc1ccc(cn1)-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COc1ccc(cn1)-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
COc1ccc(cn1)-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(OC)c2nnc(C)n2c1 |r|
COc1ccc(cn1)-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 |r|
COc1ccc(cn1)-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(OC)c2nnn(C)c2c1 |r|
COc1ccc(cn1)-c1nc2C(N(C(=O)c2n1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ccc(cn1)-c1nc2[C@H](N(C(=O)c2n1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ccc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ccc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COc1ccc-2c(c1)C(=NC(NC(=O)OCc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:9|
COc1cccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)c1
COc1cccc(NS(=O)(=O)c2cc(ccc2C)-c2c(C)noc2C)c1
COc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2c(C)noc2C)c1
COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C#N)c1 |r|
COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(cc23)-c2ccc(cc2)C(O)=O)c1 |r|
COc1cccc(c1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
COc1cccc(c1)C1N(C(=O)c2ccn(C)c12)c1cc(C)c(=O)n(C)c1
COc1cccc(c1)C1N(C(=O)c2ccn(C)c12)c1cc(Cl)c(=O)n(C)c1
COc1cccc(n1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ccccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F
COc1ccccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
COc1ccccc1C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9|
COc1ccccc1NC(=O)CSc1nc2sc3CN(CCc3c2c(=O)n1Cc1ccco1)C(C)=O
COc1ccccc1NS(=O)(=O)c1cc(ccc1C)-c1c(C)noc1C
COc1ccccc1NS(=O)(=O)c1cc(ccc1OC)-c1c(C)noc1C
COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(cc1)C(O)=O |r|
COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1
COc1ccn2c(cc(C(=O)Nc3cc(cc(-c4cnn(c4)C4CC4)c3F)C(C)O)c2c1)C(C)=O
COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
COc1ncc(-c2cc3C(=O)N(C(c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
COc1ncc(-c2cc3C(=O)N(C(c3n2C)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1 |r|
COc1ncc(-c2nc3C(=O)N(C(c3[nH]2)c2ccc(Cl)cc2)c2cc(C)c3nnc(C)n3c2)c(OC)n1
COc1ncc(-c2nc3C(=O)N(C(c3[nH]2)c2ccc(Cl)cc2)c2cc(OC)c3nnc(C)n3c2)c(OC)n1
COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(C)c3nnc(C(F)F)n3c2)c(OC)n1
COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(C)c3nnc(C)n3c2)c(OC)n1
COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(C)c3onc(C)c3c2)c(OC)n1
COc1ncc(-c2nc3C(=O)N(C(c3n2C)c2ccc(Cl)cc2)c2cc(OC)c3nnc(C)n3c2)c(OC)n1
COc1ncc(-c2nc3C(=O)N([C@@H](c3[nH]2)c2ccc(Cl)cc2)c2cc(OC)c3nnc(C)n3c2)c(OC)n1 |r|
COc1ncc(-c2nc3C(=O)N([C@@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(C)c3nnc(C(F)F)n3c2)c(OC)n1 |r|
COc1ncc(NC2=C(C(C)=N)C(=O)N(C2c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)cn1 |c:7|
COc1ncc(c(OC)n1)-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncc(c(OC)n1)-n1nc(C)c2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncc(c(OC)n1)-n1nc(C)c2[C@@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ncc(c(OC)n1)-n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2onc(C)c2c1
COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1ccc2onc(C)c2c1
COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(F)(F)F)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
COc1ncc(c(OC)n1)-n1nc2C(=O)N([C@@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2onc(C)c2c1 |r|
COc1ncc(c(OC)n1)-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2onc(C)c2c1 |r|
COc1ncc(c(OC)n1)-n1nc2C(N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ncc(cn1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
COc1ncc(cn1)-c1cc2C(=O)N([C@@H](c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COc1ncc(cn1)-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COc1ncc(cn1)-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
COc1nccc(n1)-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
COc1nccc(n1)-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)|
COc1ncccc1-c1cc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ncccc1-c1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ncccc1-c1cc2C(=O)N([C@H](c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
COc1ncccc1-c1n[nH]c2C(N(C(=O)c12)C1=CC2C(=NN=[N]2C)C(C)=C1)c1ccc(Cl)cc1 |c:23,25,30,t:20|
COc1ncccc1-c1n[nH]c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |r|
COc1ncccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
COc1ncccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
COc1ncccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
COc1ncccc1-c1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
COc1ncccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
COc1ncccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
COc1ncccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(CF)n2c1
COc1ncccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
COc1ncccc1-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1 |r|
COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 |r|
COc1ncccc1-c1nc2C(N(C(=O)c2n1C(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncccc1-c1nc2[C@H](N(C(=O)c2n1C(C)C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncccc1-c1nn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ncccc1-c1nn(C)c2[C@H](N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |r|
COc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
COc1ncccc1-n1nc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
COc1ncccc1-n1nc(C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1F
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2n1)c1ccc(Cl)cc1
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
COc1ncccc1-n1nc(C)c2[C@@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ncccc1-n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1ncccc1-n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
COc1ncccc1-n1nc2C(=O)N(C(c2c1C)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1
COc1ncccc1-n1nc2[C@H](N(C(=O)c2c1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r|
CSc1cccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)c1
C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
C[C@@H]1C[C@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|
C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
C[C@H](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 |wU:20.21,1.0,wD:17.17,(8.38,-8.55,;8.38,-7.03,;9.68,-6.27,;11.08,-7.03,;11.08,-8.55,;12.38,-9.42,;13.78,-8.55,;13.78,-7.03,;15.08,-6.27,;12.38,-6.27,;12.38,-4.64,;13.78,-3.88,;15.08,-4.64,;13.78,-2.36,;12.38,-10.94,;11.08,-11.7,;13.78,-11.7,;15.08,-10.94,;16.48,-11.7,;17.78,-10.94,;17.78,-9.42,;19.07,-8.55,;16.48,-8.55,;15.08,-9.42,;6.98,-6.27,;6.98,-4.64,;5.69,-3.88,;4.28,-4.64,;4.28,-6.27,;5.69,-7.03,)|
C[C@H](Oc1ccc(cc1-c1cn(C)nn1)C(=O)NC1CC1)c1ccccn1 |r|
C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|
C[C@H]1C[C@@H](N)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
C[C@H]1C[C@@H](NC=O)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
C[C@H]1C[C@@H](Nc2ccc(C)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(N)=O |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1cccc(c1)C(O)=O |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccccc1C |r|
C[C@H]1C[C@@H](Nc2ccc(cc2)S(C)(=O)=O)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCOCC2)cc1 |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CO)cc1 |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(F)(F)F |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(CN2CCCCC2)c1 |r|
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccccc1 |r|
C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12
Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Cc1[nH]c(c2CCNC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
Cc1[nH]nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1[nH]nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Cc1[nH]nc2C(=O)N(C(c12)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Cc1[nH]nc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1[nH]nc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1[nH]nc2[C@H](N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2C(N(C(=O)c2nn1-c1cccnc1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C)c1cc(F)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C)c1ccc(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C)c1ccc(=O)n(C)n1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C1CC1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2C(N(C(=O)c2nn1C1COC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1c2[C@@H](N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2[C@@H](N(C(=O)c2nn1C)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2[C@@H](N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2[C@@H](N(C(=O)c2nn1C1CC1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2[C@H](N(C(=O)c2nn1C)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2[C@H](N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c2[C@H](N(C(=O)c2nn1C1CC1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cc1c[nH]c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1
Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1)C(C)(C)O
Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCCC1)C(C)(C)O
Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(C)c1O |w:4.3|
Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(Cl)c1O |w:4.3|
Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:9.9|
Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Cc1cc(cc2n(C)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Cc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3CC3)n2C2COC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cc2n(C)nnc12)N1C(c2c(nc(C3CCOCC3)n2C2COC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cc2n(C)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Cc1cc(cn(C)c1=O)N1C(C(NCCO)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1 |t:16|
Cc1cc(cn(C)c1=O)N1C(C(Nc2ccnn2C)=C(C(=N)C2CC2)C1=O)c1ccc(Cl)cc1 |t:20|
Cc1cc(cn(C)c1=O)N1C(c2[nH]c(nc2C1=O)C1=CCOCC1)c1ccc(Cl)cc1 |t:21|
Cc1cc(cn(C)c1=O)N1C(c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(O)n(C)nc2C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccc(=O)n(C)c3)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccc(=O)n(C)c3)n2C2CC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3cccc(=O)n3C)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3cccc(=O)n3C)n2C2CC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccccn3)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3cccn(C)c3=O)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3cccn(C)c3=O)n2C2CC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccn(C)c(=O)c3)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccnc(n3)C(F)(F)F)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(cc(C3CC3)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(ccn2C)C1=O)c1ccc(Cl)c(F)c1
Cc1cc(cn(C)c1=O)N1C(c2c(ccn2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(ccn2C)C1=O)c1ccc(F)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(ccn2C)C1=O)c1ccc(cc1)C#N
Cc1cc(cn(C)c1=O)N1C(c2c(ccn2C)C1=O)c1ccccc1
Cc1cc(cn(C)c1=O)N1C(c2c(ccn2C2CC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(nc(-c3cccnc3F)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(nc(-c3nccs3)n2C2CC2)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(nc(C3CC3)n2C(C)(C)C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(nc(N3CCOCC3)n2C)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(nn(C3CC3)c2C(F)(F)F)C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2c(nn(C3CC3)c2C1=O)C(F)(F)F)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2cn(C)nc2C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2cnn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1C(c2nc([nH]c2C1=O)C1CC1)c1ccc(Cl)cc1
Cc1cc(cn(C)c1=O)N1[C@@H](c2[nH]c(nc2C1=O)C1=CCOCC1)c1ccc(Cl)cc1 |r,t:21|
Cc1cc(cn(C)c1=O)N1[C@@H](c2[nH]nc(C3CC3)c2C1=O)c1ccc(Cl)cc1 |r|
Cc1cc(cn(C)c1=O)N1[C@@H](c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1 |r|
Cc1cc(cn(C)c1=O)N1[C@@H](c2cn(C)nc2C1=O)c1ccc(Cl)cc1 |r|
Cc1cc(cn(C)c1=O)N1[C@@H](c2nc([nH]c2C1=O)C1CC1)c1ccc(Cl)cc1 |r|
Cc1cc(cn(C)c1=O)N1[C@H](c2cn(C)nc2C1=O)c1ccc(Cl)cc1 |r|
Cc1cc(cn2c(CF)nnc12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Cc1cc(cn2c(CF)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Cc1cc(cn2c(nnc12)C(F)F)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Cc1cc(nc2n(C)nnc12)N1C(c2[nH]c(nc2C1=O)C1=CCOCC1)c1ccc(Cl)cc1 |t:24|
Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(NC(=O)OC(C)(C)C)cn2C)c1ccc(Cl)cc1
Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C)C1CNC1)c1ccc(Cl)cc1
Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1
Cc1cc(nc2n(C)nnc12)N1[C@@H](c2[nH]c(nc2C1=O)C1=CCOCC1)c1ccc(Cl)cc1 |r,t:24|
Cc1cc2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1cc2C(=O)N([C@@H](c2n1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
Cc1ccc(cc1)C1N(C(=O)c2ccn(C)c12)c1cc(C)c(=O)n(C)c1
Cc1ccc(cc1)C1N(C(=O)c2ccn(C)c12)c1cc(Cl)c(=O)n(C)c1
Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2c1)c1ccc(Cl)cc1
Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1
Cc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Cc1cn(C2COC2)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Cc1cn(CCO)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1n[nH]c2C(=O)N(C(c12)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
Cc1n[nH]c2C(=O)N(C(c12)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1
Cc1n[nH]c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1
Cc1nc2C(=O)N(C(c2[nH]1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Cc1nc2C(=O)N(C(c2n1C1COC1)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Cc1nc2C(N(C(=O)c2n1C1CC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1
Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Cc1nn(-c2ccnn2C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
Cc1nn(-c2ccnn2C)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(-c2ccnn2C)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
Cc1nn(-c2ccnn2C)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(-c2cncn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Cc1nn(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1ccc2nnn(C)c2n1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cn(C)c(=O)c2[nH]ccc12
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(OC(F)(F)F)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(cc1)C(F)(F)F)c1cc(C)c(=O)n(C)c1
Cc1nn(C2CC2)c2C(=O)N(C(c12)c1cccc(c1)C(F)(F)F)c1cc(C)c(=O)n(C)c1
Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(F)cc1F)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1 |r|
Cc1nn(C2CC2)c2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
Cc1nn(C2CC2)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Cc1nn(C2CCC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(C2CNC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(C2CNC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Cc1nn(C2COC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Cc1nn(C2COC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Cc1nn(C[C@H](O)C(F)(F)F)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Cc1nn(c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1)-c1cccnc1C
Cc1nn(c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1)-c1cccnc1F
Cc1nnc2C(CC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|
Cc1nnc2C(Cc3nnc(o3)C(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|
Cc1nnc2C(Cc3nnc(o3)C3CC3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|
Cc1nnc2C(N)N=C(c3ccccc3)c3ccccc3-n12 |t:7|
Cc1nnc2C(NC(=O)CCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Cc1nnc2C(NC(=O)NCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Cc1nnc2C(NC(=O)OCc3ccc(F)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:19|
Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccc(C)cc3)c3ccccc3-n12 |t:18|
Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:18|
Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3cc(ccc3-n12)[N+]([O-])=O |t:18|
Cc1nnc2C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccc(C)cc3-n12 |t:18|
Cc1nnc2C(NC(=O)Oc3cccc(F)c3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Cc1nnc2C(NS(=O)(=O)Cc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Cc1nnc2CCC(Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cn[nH]c1
Cc1nnc2CCC(Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1
Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|
Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1
Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Cc1nnc2c(C)cc(cn12)N1C(c2[nH]c(cc2C1=O)-c1cccn(C)c1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2[nH]c(cc2C1=O)-c1cccnc1O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2[nH]c(nc2C1=O)C1=CCOCC1)c1ccc(Cl)cc1 |t:24|
Cc1nnc2c(C)cc(cn12)N1C(c2[nH]ccc2C1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1CNC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1COC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C)n2C)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1 |t:26|
Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(NC(=O)OC(C)(C)C)cn2C)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C)C(N)=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(CF)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |t:19|
Cc1nnc2c(C)cc(cn12)N1C(c2c(cc(C3CCOCC3)n2C)C1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(nc(C3CC3)n2C)C1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(nn(-c3ccnn3C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1C(c2c(nn(C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(cn12)N1[C@@H](c2[nH]c(nc2C1=O)C1=CCOCC1)c1ccc(Cl)cc1 |r,t:24|
Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1 |r|
Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r|
Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r|
Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1 |r|
Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(nn(C)c2C1=O)C1CC1)c1ccc(Cl)cc1 |r|
Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19|
Cc1nnc2c(C)cc(nn12)N1C(c2c(C1=O)c(nn2-c1ccnn1C)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(nn12)N1C(c2c(ccn2C)C1=O)c1ccc(Cl)cc1
Cc1nnc2c(C)cc(nn12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Cc1nnc2c(N)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Cc1nnc2c(NC(=O)OC(C)(C)C)cc(cn12)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Cc1nnc2ccc(cn12)N1C(c2c(C)n(C)nc2C1=O)c1ccc(Cl)cc1
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r|
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
Cc1nnn2C(CCO)CN(c3ccc(Cl)cc3)c3ccccc3-c12
Cc1nnn2CC(=O)N(c3ccccc3)c3ccccc3-c12
Cc1nnn2CCN(Cc3cccc(Br)c3)c3ccccc3-c12
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CO)ccc3-c12
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(Cn4cccn4)ccc3-c12
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NC(c1ccccc1)c1ccccc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1
Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)=O
Cc1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12
Cc1nnn2CCN(c3ccccc3)c3ccccc3-c12
Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)N1CCCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)N1CCNCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NC(C)(C)C
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NC1CC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NC1CCCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NC1CCCCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NC1CCCNC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NC1CCNCC1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NCCCO
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NCCCc1ccccc1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NCCc1ccccc1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)NCc1ccccc1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)Nc1cccc(Cl)c1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1
Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1Cl
Cc1noc(C)c1-c1ccc(C)c(c1)S(N)(=O)=O
Cc1noc(C)c1-c1ccc(O)c(c1)S(=O)(=O)NC1CCCC1
Cc1noc(C)c1-c1ccc(OCCCN2CCOCC2)c(c1)S(=O)(=O)NC1CCCC1
Cc1noc(C)c1-c1ccc(OCCN2CCNCC2)c(c1)S(=O)(=O)NC1CCCC1
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(O)=O
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(cnc2c1)C(N)=O
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(cnc2c1)C(O)=O
Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r|
Cc1noc(C)c1-c1cccc(c1)S(=O)(=O)NC1CC1
Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Cc1noc2ccc(cc12)N1C(c2c(C)n(C)nc2C1=O)c1ccc(Cl)cc1
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Cn1c(cc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)-c1ccc(=O)n(C)c1
Cn1c(cc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)-c1cccc(=O)n1C
Cn1c(cc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)-c1cccn(C)c1=O
Cn1c(cc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)-c1ccn(C)c(=O)c1
Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Cn1cc(cc(Cl)c1=O)N1C(c2c(cc(-c3cccc(=O)n3C)n2C2CC2)C1=O)c1ccc(Cl)cc1
Cn1cc(cc(Cl)c1=O)N1C(c2c(nn(C3CC3)c2C(F)(F)F)C1=O)c1ccc(Cl)cc1
Cn1cc(cc(Cl)c1=O)N1C(c2c(nn(C3CC3)c2C1=O)C(F)(F)F)c1ccc(Cl)cc1
Cn1cc(cc(Cl)c1=O)N1C(c2c[nH]nc2C1=O)c1ccc(Cl)cc1
Cn1cc(cc(Cl)c1=O)N1C(c2cn(nc2C1=O)C1CC1)c1ccc(Cl)cc1
Cn1cc(cc(Cl)c1=O)N1C(c2cnn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Cn1cc(ccc1=O)-c1cc2C(=O)N(C(c2n1C1CC1)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F
Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
Cn1cc2C(N(C(=O)c2n1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
Cn1cc2[C@@H](N(C(=O)c2n1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cn1cc2[C@H](N(C(=O)c2n1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Cn1ccc2C(=O)N(C(c12)c1ccc(Cl)c(F)c1)c1cc(Cl)c(=O)n(C)c1
Cn1ccc2C(=O)N(C(c12)c1ccc(F)cc1)c1cc(Cl)c(=O)n(C)c1
Cn1ccc2C(=O)N(C(c12)c1ccc(cc1)C#N)c1cc(Cl)c(=O)n(C)c1
Cn1ccc2C(=O)N(C(c12)c1ccccc1)c1cc(Cl)c(=O)n(C)c1
Cn1ccc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
Cn1cccc(-c2cc3C(=O)N(C(c3n2C2CC2)c2ccc(Cl)cc2)c2cc(Cl)c(=O)n(C)c2)c1=O
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)cc1 |r|
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCNCC1
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
[H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14|
[H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
[H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|