465 SMILES Strings for Cyclin-C
Compound Name
SMILES String
Brc1ccc2nccc(NCCc3ccccc3)c2c1
C(Cc1ccccc1)Nc1ccnc2ccccc12
C1CCNc2ccc3ncc(-c4cccc(OCC1)c4)n3n2
CC(=O)N1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)|
CC(=O)NCCNc1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
CC(=O)Nc1ccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
CC(=O)Nc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
CC(=O)Nc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
CC(=O)Nc1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
CC(=O)Nc1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
CC(=O)Nc1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
CC(=O)Nc1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
CC(=O)Nc1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1
CC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
CC(=O)c1ccc(s1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
CC(=O)c1cccc(NC(=O)c2nnn(c2C)-c2ccc3noc(-c4ccccc4)c3c2)c1
CC(=O)c1sccc1-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
CC(C)(C)OC(=O)N1CCC(CC1)n1cc(cn1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CC(C)(C)OC(=O)N1CCN(Cc2ccc(s2)-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)CC1
CC(C)(C)OC(=O)NCCCN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CC(C)(O)CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
CC(C)NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)|
CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)|
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)n1 |r,wU:19.20,wD:22.27,(35.27,-22.33,;36.78,-22.65,;37.26,-24.11,;37.81,-21.5,;39.33,-21.66,;40.11,-23,;39.96,-20.26,;38.81,-19.23,;38.82,-17.69,;37.48,-16.91,;36.15,-17.69,;36.15,-19.23,;37.48,-20,;34.82,-16.92,;34.82,-15.37,;33.48,-14.61,;32.15,-15.38,;32.15,-16.92,;30.81,-17.69,;30.81,-19.23,;32.15,-19.99,;32.14,-21.54,;30.8,-22.3,;29.47,-21.52,;29.48,-19.99,;30.79,-23.84,;29.46,-24.61,;28.13,-23.83,;26.8,-24.58,;26.78,-26.12,;28.11,-26.9,;29.46,-26.14,;33.48,-17.69,)|
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
CC1CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(C)c3)cc2)CCO1
CC1COCCN1Cc1ccc(NC(=O)\C=C\c2cnccc2-c2cnn(C)c2)cc1
CCC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
CCN1C(=O)COc2c(CN3CCN(CC3)C(C)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CCN1CCN(Cc2ccc(NC(=O)N[C@H]3CCN(C3)c3ccnc(NC)n3)cc2C(F)(F)F)CC1 |r|
CCNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
CCNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
CCOC(=O)\C=C\c1ccncc1-c1ccc2[nH]ccc2c1
CCOC(=O)\C=C\c1ccncc1-c1ccc2cc[nH]c2c1
CCOC(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
CCOC(=O)\C=C\c1ccncc1-c1ccc2n(C)ccc2c1
CCOC(=O)\C=C\c1ccncc1-c1ccc2n(C)ncc2c1
CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
CCOCOCc1ccc(o1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
CCOc1ccc(cc1)C(=O)Oc1cccnc1
CCOc1ccc(cc1)C(=O)Oc1cncc(NC(=O)Nc2ccccc2)c1
CCOc1ccc(cc1)C(=O)Oc1cncc(c1)-c1cnn(c1)-c1ccccc1
CCOc1ccc(cc1)C(=O)Oc1cncc(c1)C1CCN(CC1)c1ccccc1
CCOc1ccc(cc1)C(=O)Oc1cnccc1-c1cnn(c1)-c1ccccc1
CCOc1ccc(cc1)C(=O)Oc1cnccc1C1CCN(CC1)c1ccccc1
CCOc1ccc(cc1)C(=O)Oc1cnccc1NC(=O)Nc1ccccc1
CCOc1ccccc1C(C)NC(=O)c1nn2c(C)ncc2s1
CCOc1ccccc1CNC(=O)c1nn2c(C)ncc2s1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CCc1ccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
CCc1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1
CCc1ccccc1NC(=O)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1
CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12
CN(C)C(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
CN(C)C(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
CN(C)C(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
CN(C)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CN(C)c1ccc(cc1)-c1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
CN(CCCN)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CN1CCN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc2[nH]nc(C)c2c1
CN1CCN(CC1)C(=O)\C=C\c1ccncc1-c1ccc(F)cc1
CN1CCN(CC1)C(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ncnc4ccc(cc34)C#N)ccc2c1
CN1CCN(CC1)C(=O)c1ccc2nc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
CNC(=O)CCc1ccncc1-c1ccc2ccccc2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2[nH]ccc2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2cc[nH]c2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2cccnc2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2cnn(C)c2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2n(C)ccc2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2n(C)ncc2c1
CNC(=O)\C=C\c1ccncc1-c1ccc2ncccc2c1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
CNC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
CNC(=O)c1ccc2[nH]nc(Cc3ccc(OC)c(OC)c3)c2c1
CNC(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
CNC(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(CC(C)(C)O)c3)c2c1
CNC(=O)c1ccc2[nH]nc(Cc3ccc4cnn(C)c4c3)c2c1
CNC(=O)c1ccc2[nH]nc(Cc3ccc4n(C)ncc4c3)c2c1
CNC(=O)c1ccc2[nH]nc(Cc3cccc(C)c3)c2c1
CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1
CNC(=O)c1ccc2cncc(-c3ccc4NS(=O)(=O)Cc4c3)c2n1
CNC(=O)c1ccc2cncc(-c3ccc4cnn(C)c4c3)c2n1
CNC(=O)c1ccc2cncc(-c3ccc4n(C)ncc4c3)c2n1
CNC(=O)c1ccc2nccc(NCCc3ccccc3)c2c1
CNC(=O)c1ccn(c1)-c1c(Cl)cncc1-c1ccc(cc1)-c1cnn(C)c1
CNC(=O)c1sc(SC)c-2c1CCc1cnsc-21
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CNc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
CNc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
CNc1ncc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)c(N)n1
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1cc(OC)cc(OC)c1 |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(C)c(Cl)c1 |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(CN(C)C)c(c1)C(F)(F)F |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(CN2CCC2)c(c1)C(F)(F)F |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(CN2CCCC2)c(c1)C(F)(F)F |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(OC(F)F)cc1 |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(OC)cc1 |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1cccc(OC)c1 |r|
CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1cccc(c1)C#N |r|
COC(=O)CCc1ccncc1-c1ccc2ccccc2c1
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)|
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(55.44,-8.62,;55.46,-7.09,;54.13,-6.3,;54.15,-4.76,;52.79,-7.06,;52.77,-8.6,;51.44,-9.36,;50.12,-8.58,;50.12,-7.04,;51.46,-6.28,;48.78,-9.33,;47.44,-8.56,;46.1,-9.32,;46.11,-10.85,;47.43,-11.64,;48.77,-10.87,;44.77,-11.63,;44.77,-13.17,;46.1,-13.94,;46.1,-15.48,;44.77,-16.25,;43.44,-15.48,;42.12,-16.26,;40.78,-15.51,;40.76,-13.96,;42.09,-13.18,;43.43,-13.94,;39.43,-13.22,;38.09,-12.47,)|
COC(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
COC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
COC1(C)CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
COC1(C)CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
COC1CN(C1)C(=O)\C=C\c1ccncc1-c1ccc(OC)c(OC)c1
COC1CN(C1)C(=O)\C=C\c1ccncc1-c1ccc2[nH]ncc2c1
COC1CN(C1)C(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
COC1CN(C1)C(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
COC1CN(C1)C(=O)c1ccc2[nH]nc(Cc3ccc4n(C)ncc4c3)c2c1
COC1CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
COC1CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
COC1CN(C1)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1
COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
COc1cc(OC)c(c(OC)c1)-c1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
COc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12
COc1ccc(CC(=O)N2CCN(CC2)c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)cc1
COc1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cc1
COc1ccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
COc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
COc1ccc(cc1)C(=O)c1cnc2ccc(F)cc2c1N1CCCCC1
COc1ccc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
COc1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1
COc1ncc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
COc1sc(C(N)=O)c2CCc3cnsc3-c12
CS(=O)(=O)c1sc(C(N)=O)c2CCc3cnsc3-c12
CSc1sc(C#N)c2CCc3cnsc3-c12
CSc1sc(C(=O)N(C)C)c2CCc3cnsc3-c12
CSc1sc(C(=O)Nc2ccccc2)c2CCc3cnsc3-c12
CSc1sc(C(=O)Nc2ccccn2)c2CCc3cnsc3-c12
CSc1sc(C(=O)Nc2ccn(C)n2)c2CCc3cnsc3-c12
CSc1sc(C(=O)Nc2ccon2)c2CCc3cnsc3-c12
CSc1sc(C(=O)Nc2ccsn2)c2CCc3cnsc3-c12
CSc1sc(C(N)=O)c2CCc3cn(C)nc3-c12
CSc1sc(C(N)=O)c2CCc3cn[nH]c3-c12
CSc1sc(C(N)=O)c2CCc3cnn(C)c3-c12
CSc1sc(C(N)=O)c2CCc3cnoc3-c12
CSc1sc(C(N)=O)c2CCc3cnsc3-c12
CSc1sc(C(N)=O)c2CCc3nnsc3-c12
CSc1sc(C(O)=O)c2CCc3cnsc3-c12
C[S+]([O-])c1sc(C(N)=O)c2CCc3cnsc3-c12
Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1
Cc1c(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)ccc[n+]1[O-]
Cc1cc(sc1C=O)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12
Cc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C
Cc1ccc(NC(=O)Nc2nnc(s2)-c2cccc(F)c2)cc1C
Cc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
Cc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
Cc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Cc1ccc(cc1)-c1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)NCCCNC(=O)OC(C)(C)C)C(C)(C)C
Cc1ccc(o1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cc1ccc(s1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cc1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1
Cc1ccccc1NC(=O)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1
Cc1ccncc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Cc1ccsc1-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cc1cncc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c1
Cc1csc(c1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cc1n[nH]c2ccc(cc12)C(=O)N1CCOCC1c1ccc(Cl)cc1
Cc1n[nH]c2ccc(cc12)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 |r|
Cc1n[nH]c2ccc(nc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cc1n[nH]c2cnc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cc1ncc(Oc2ccc(Cl)cc2)c2cc(sc12)C(N)=O
Cc1ncc2ccc(cn12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cc1ncc2sc(nn12)C(=O)N1CCCC1c1ccc(Cl)cc1
Cc1ncc2sc(nn12)C(=O)N1CCCC1c1ccc(F)cc1
Cc1ncc2sc(nn12)C(=O)N1CCCC1c1ccccc1
Cc1ncc2sc(nn12)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 |r|
Cc1ncc2sc(nn12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnn(C)c3-c12
Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Cc1nnc2ccc(cn12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Clc1ccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
Clc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
Clc1ccc(Oc2cncc3sc(cc23)C(=O)C2CC2)cc1
Clc1ccc(Oc2cncc3sc(cc23)C(=O)NC2CC2)cc1
Clc1ccc(cc1)[C@@H]1CCCN1C(=O)c1ccc2[nH]ncc2c1 |r|
Clc1ccc(s1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Clc1ccc2nccc(NCCc3ccccc3)c2c1
Clc1cccc(NC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c1
Clc1cncc(-c2c[nH]c3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2c[nH]c3ncccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cc3ccccc3[nH]2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cc[nH]c2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccc(C=O)o2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccc(C=O)s2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccc(CN3CCCC3)s2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccc(CN3CCCCC3)s2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccc(CN3CCOCC3)s2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccc(s2)-c2ccccc2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3[nH]ccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3c4ccccc4oc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3c4ccccc4sc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3cccnc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3ccncc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3cnccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccc3ncccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccco2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cccs2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccnc3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccoc2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccsc2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2ccsc2C=O)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cn(Cc3ccccc3)c3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cn(c3ccccc23)S(=O)(=O)c2ccccc2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cn(c3ncccc23)S(=O)(=O)c2ccccc2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cn[nH]c2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cncc3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cnn(Cc3ccccc3)c2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cnn(c2)-c2ccccc2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cnn(c2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2coc(C=O)c2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2coc3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2csc(C=O)c2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2csc3ccccc23)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cscc2C=O)c1N1CCC2(CCNC2=O)CC1
Cn1c(cc2ccccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|
Cn1cc(cn1)-c1c(F)cncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cc(cn1)-c1cc(N)ncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(NS(C)(=O)=O)cc23)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)-c2cc(N)ccn2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)-c2nccn2C)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC(F)(F)C2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC(O)C2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCC(F)(F)C2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCCC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCCCC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCNCC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCOCC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC[C@@H](O)C2)cc1 |r|
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC[C@H](O)C2)cc1 |r|
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)NC2CC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(N)=O)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)N2CCCC2=O)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)N2CCOCC2)cc1
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)S(=O)(=O)NC2CC2)cc1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(cc12)C(=O)N1CC(C)(F)C1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(cc12)C(=O)N1CC(F)(F)C1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(cc12)C(=O)N1CCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(cc12)C(=O)NC1CC1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(cc12)N1CCOC1=O
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)-c1nccn1C
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)C(=O)N1CC(C)(F)C1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)C(=O)N1CC(F)(F)C1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)C(=O)N1CCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)C(=O)N1CCCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)C(=O)N1CCNCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c2ccc(nc12)C(=O)N1CCOCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1-n1ccc(c1)C(N)=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1-n1ccc(c1)C(O)=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)-c1nccn1C
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)-c1ncco1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)N1CC(F)(F)C1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)NC1CC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCCS1(=O)=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCOC1=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)S(N)(=O)=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)-c1ccnn1C
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)-c1nccn1C
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)-c1ncco1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C#N
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CC(F)(F)C1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCNCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCOCC1
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(O)=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCCC1=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCNC1=O
Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCOCC1
Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wD:16.21,13.14,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Cn1cc(cn1)-c1ccnc(O)c1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cc(cn1)-c1ccncc1CCC(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2C3CCC2COC3)cc1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CC(F)(F)C2)cc1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CC3CC2CO3)cc1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCC(F)(F)C2)cc1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc2CCN(CC(F)(F)F)Cc2c1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc2CN(CC(F)(F)F)CCc2c1
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccccc1
Cn1cc(cn1)-c1ccncc1\C=C\C(N)=O
Cn1cc(cn1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1cc2c(cccc2n1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1ccc(n1)-c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Cn1ccc2cc(ccc12)-c1cnccc1\C=C\C(=O)N1CCOCC1
Cn1ccc2cc(ccc12)-c1cnccc1\C=C\C(O)=O
Cn1cccc1-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1cnc(c1)-c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
Cn1cnc2cc(ccc12)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cnc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCNC2=O)CC1
Cn1cnc2ccc(cc12)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Cn1cnc2ccc(cc12)-c1cnc2[nH]ccc2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2c(cccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CC(O)C3)ccc12
Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CCC(F)(F)C3)ccc12
Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CC[C@H](O)C3)ccc12 |r|
Cn1ncc2cc(Nc3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12
Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]cc(Cl)c2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CC2(C1)CCNC2=O
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CC2(C1)CNC(=O)C2
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CC1)NC(=O)NC2=O
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCNC2=O)C1
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CNC(=O)O2)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]cnc2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]nc(Cl)c2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2[nH]ncc2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnc2sccc2c1N1CCC2(CCNC2=O)CC1
Cn1ncc2cc(ccc12)-c1cnccc1\C=C\C(=O)N1CCOCC1
Cn1ncc2cc(ccc12)-c1cnccc1\C=C\C(O)=O
Cn1ncc2ccc(cc12)-c1cnccc1\C=C\C(=O)N1CCOCC1
FC(F)(F)CN1CCc2cc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)ccc2C1
FC(F)(F)Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
FC(F)(F)Oc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
FC(F)(F)c1cc(NC(=O)N[C@@H]2CCN(C2)c2ccc3nncn3n2)ccc1Cl |r|
FC(F)(F)c1cc(NC(=O)N[C@H]2CCN(C2)c2ccc3nncn3n2)ccc1Cl |r|
FC(F)(F)c1cc(NC(=O)N[C@H]2CCN(C2)c2ccnc(NC3CC3)n2)ccc1Cl |r|
FC(F)(F)c1cc(NC(=O)N[C@H]2CCN(C2)c2ccncn2)ccc1Cl |r|
FC(F)(F)c1ccc(cn1)N1CC[C@@H](C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
FC(F)(F)c1ccc2nccc(NCCc3ccccc3)c2c1
FC(F)(F)c1cccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)c1
FC(F)(F)c1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1
FC(F)n1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
FC(F)n1cc(cn1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
FC1(F)CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)cc2)C1
Fc1ccc(Cc2nc(ns2)N2CCC(CNC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1
Fc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1
Fc1ccc2nccc(Nc3ccccc3F)c2c1
Fc1cncc(\C=C\C(=O)Nc2ccc(CN3CCOCC3)cc2)c1-c1cnn(c1)C1CC1
Ic1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
Ic1ccc2nccc(NCCc3ccccc3)c2c1
N#Cc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
N#Cc1ccc2nccc(NCCc3ccccc3)c2c1
N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1
N=S1(=O)CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
NC(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
NC(=O)\C=C\c1ccncc1Br
NC(=O)c1[nH]cc(c1Cl)-c1ccncc1
NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(Cl)c2s1
NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(F)c2s1
NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1
NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
NC(=O)c1cc2c(Oc3ccc(OC(F)(F)F)cc3)cncc2s1
NC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1
NC(=O)c1cc2c(Oc3ccc(cc3)C(N)=O)cncc2s1
NC(=O)c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
NC(=O)c1ccc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
NC(=O)c1ccc2nccc(NCCc3ccccc3)c2c1
NC(=O)c1sc(Oc2ccc(N)nc2)c-2c1CCc1cnsc-21
NC(=O)c1sc(Oc2ccc(nc2)C(N)=O)c-2c1CCc1cnsc-21
NC(=O)c1sc(Oc2ccccc2)c-2c1CCc1cnsc-21
NC(=O)c1sc(Oc2ccccn2)c-2c1CCc1cnsc-21
NC(=O)c1sc(Oc2cccnc2)c-2c1CCc1cnsc-21
NCCCN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
NNC(=O)CCc1ccncc1-c1ccc2ccccc2c1
Nc1ccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)cc1
Nc1ccc(cc1)-c1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Nc1ccc2nccc(NCCc3ccccc3)c2c1
Nc1ccccc1NC(=O)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1
Nc1n[nH]c2ccc(cc12)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 |r|
Nc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 |r|
Nc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Nc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(F)cc1 |r|
Nc1n[nH]c2ccc(cc12)C(=O)N1CC[C@H](C1)c1ccc(Cl)cc1 |r|
Nc1n[nH]c2ccc(cc12)C(=O)N1CC[C@H]1c1ccc(F)cc1 |r|
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Nc1ncc(-c2cc3ccccc3s2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Nc1ncc(cc1-c1ccc(cc1)C(=O)N1CCNCC1)C(=O)Nc1ccccc1
Nc1ncc(cc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCNCC1
Nc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r|
O(c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1
O=C(CCc1ccncc1-c1ccc2ccccc2c1)N1CCOCC1
O=C(CCc1cnccc1-c1cnn(c1)C1CC1)Nc1ccc(CN2CCOCC2)cc1
O=C(N1CCNCC1)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
O=C(N1CCSCC1)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
O=C(NC1CC1)\C=C\c1ccncc1-c1ccc2ccccc2c1
O=C(Nc1ccc(CN2CC3CC(C2)O3)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
O=C(Nc1ccc(CN2CC3CC2CO3)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1ccc2[nH]cnc2c1
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cn[nH]c1
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cncs1
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(Cc2ccccc2)c1
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnsc1
O=C(Nc1ccccc1)c1cc(ccn1)-c1ccc(cc1)C(=O)N1CCNCC1
O=C(Nc1ccccc1)c1cccc(c1)-c1ccc(cc1)C(=O)N1CCNCC1
O=C(Nc1ccccc1)c1ccnc(c1)-c1ccc(cc1)C(=O)N1CCNCC1
O=C(Nc1ccccc1)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1
O=C(\C=C\c1ccncc1-c1ccc2[nH]ccc2c1)N1CCOCC1
O=C(\C=C\c1ccncc1-c1ccc2cc[nH]c2c1)N1CCOCC1
O=C(\C=C\c1ccncc1-c1ccc2ccccc2c1)N1CCOCC1
O=C(\C=C\c1ccncc1-c1ccc2ncccc2c1)N1CCOCC1
O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccc2[nH]cnc2c1
O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccc2ncnn2c1
O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccc2ncsc2c1
O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccc2scnc2c1
O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccn2ccnc2c1
OC(=O)CCNC(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
OC(=O)CCc1ccncc1-c1ccc2ccccc2c1
OC(=O)\C=C\c1ccncc1-c1ccc2[nH]ccc2c1
OC(=O)\C=C\c1ccncc1-c1ccc2cc[nH]c2c1
OC(=O)\C=C\c1ccncc1-c1ccc2ccccc2c1
OC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
OCCCN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
OC[C@H](Nc1cncc(c1)-c1ccc2[nH]ncc2c1)c1ccccc1 |r|
OC[C@H](Nc1cncc(n1)-c1ccc(O)c(Cl)c1)c1ccccc1 |r|
Oc1cc(cc(c1)-c1ccc(cc1)C(=O)N1CCNCC1)C(=O)Nc1ccccc1
Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1ccc(CN2CCNCC2)cc1
Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCNCC1
Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1ccc(cc1)C(F)(F)F
Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1ccc(cc1)N1CCNCC1
Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1ccccc1
Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1cncnc1
Oc1ccc(cc1-c1ccc(cc1)C(=O)N1CCNCC1)C(=O)Nc1ccccc1
Oc1ccc(cc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCNCC1
[H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[O-][N+](=O)c1ccc2nccc(NCCc3ccccc3)c2c1
[O-][S+]1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1