214 SMILES Strings for Bromodomain-containing protein 9
Compound Name
SMILES String
C=CCCn1cc(-c2cc(C(=O)N3CCOCC3)c3nc[nH]c3c2)c2cc[nH]c2c1=O
C=CCCn1cc(-c2cc(cc(c2)C(=O)N2CCOCC2)C#N)c2cc[nH]c2c1=O
C=CCCn1cc(-c2cc(cc3[nH]cnc23)C(=O)N2CCOCC2)c2cc[nH]c2c1=O
C=CCCn1cc(-c2cccc(c2)C(=O)N2CCCC2)c2cc[nH]c2c1=O
C=CCCn1cc(-c2cccc(c2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O
C=CCCn1cc(-c2cncc(c2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O
CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1 |r|
CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12
CC(=O)c1cc(-c2ccccc2CO)c2ccccn12
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(Oc3ccccc3)ccn12
CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2ccccn12
CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)|
CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc12 |(1.42,-3.62,;2.24,-2.7,;3.45,-2.94,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;5.14,5.39,;5.1,6.63,;6.5,4.67,;7.81,5.48,;9.16,4.75,;10.47,5.56,;11.83,4.83,;11.88,3.29,;10.57,2.48,;9.21,3.21,;2.4,5.16,;2.04,6.66,;.85,7,;3.15,7.72,;2.78,9.22,;3.89,10.29,;3.52,11.78,;4.64,12.85,;6.12,12.42,;6.48,10.92,;5.37,9.86,;1.41,3.98,;.18,4.06,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
CC(=O)n1cc(C(=O)Nc2cc(cc(c2)-c2ccco2)C(O)=O)c2ccccc12
CC(=O)n1cc(C(=O)Nc2cc(ccc2F)C(O)=O)c2ccccc12
CC(=O)n1cc(C(=O)Nc2cccc(c2)C(O)=O)c2ccccc12
CC(C)CS(=O)(=O)N[C@@H]1CCC(=O)N([C@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1
CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r|
CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCOCC1
CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12
CC(C)Nc1cnn(C)c(=O)c1Cl
CC(C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CC(N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
CCCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCCCc1c(Nc2cccc3CN(C)CCc23)cnn(C)c1=O
CCCCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O
CCCCn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O
CCCCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
CCCOc1ccc2n(cc(-c3c(C)n([nH]c3=O)C(=O)c3ccc(OC)cc3)c2c1)C(C)=O |(-5.07,5.07,;-5.06,3.84,;-3.72,3.07,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;5.13,5.4,;6.22,4.82,;5.08,6.94,;6.38,7.76,;6.33,9.3,;4.97,10.02,;4.9,11.56,;3.81,12.13,;3.66,9.2,;3.72,7.66,;.3,.77,;-1.03,1.55,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,)|
CCCOc1ccn2c(cc(-c3cccc(OC)c3)c2c1)C(C)=O
CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
CCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O
CCN(CC)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3c2CCCCC3=O)c1
CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
CCOc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
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=C\c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12
CCc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
CCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O
CCn1cc(-c2ccc(C(=O)NC3CCS(=O)(=O)CC3)c(Cl)c2)n2cncc2c1=O
CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
CCn1cnc2c(cc(cc12)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
CCn1cnc2cc(cc(C(=O)N3CCOCC3)c12)-c1cn(CCC=C)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
CN(C)Cc1ccc(cc1)-c1cc(C)c(=O)n(C)c1
CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
CN(C)c1ncc2c(ccn(C)c2=O)n1
CN(C1CCCCC1)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
CN(C1CCN(C)CC1)C(=O)c1cn(C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(C)nc(C)n1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(nc(C)n1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)-c1ccccc1C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)-c1ccccc1F)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)-c1ccco1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)C(C)(C)C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)C(F)(F)F)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1cc(ncn1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN(C1CCN(CC1)c1ccncn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
CN1CCC(CC1)NC(=O)c1cn(C)c(=O)c2[nH]ccc12
CN1CCC(CC1)Nc1cnn(C)c(=O)c1Cl
CN1CCCC(C1)Nc1cnn(C)c(=O)c1Cl
CN1CCC[C@@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
CN1CCN(CC1)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1C
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1CC=C
CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1CCC=C
CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
CN1CCc2c(C1)cccc2Nc1cnn(C)c(=O)c1C
CN1CCc2c(C1)cccc2Nc1cnn(C)c(=O)c1Cl
CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r|
CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Cl |r|
CN1C[C@H](C[C@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r|
CN1C[C@H](C[C@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Cl |r|
CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C
CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
CNc1cnn(C)c(=O)c1Cl
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,)|
COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]ccc12
COc1cc(c(OC)cc1CN(C)C)-c1cc(C)c(=O)n(C)c1
COc1cc(c(OC)cc1CN(C)C)-c1cc(C)c(=O)n(C)c1C
COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c(C)c1C
COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2ccccc12
COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
COc1cc(cc(C)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1C
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c(C)c1C
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccccc12
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cccnc12
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccncc12
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ncccc12
COc1cc(cc(OC)c1CN1CC(N)C1)-c1cc(C)c(=O)n(C)c1
COc1cc(cc(OC)c1CN1CC(O)C1)-c1cc(C)c(=O)n(C)c1
COc1cc(ccc1CN(C)C)-c1cc(C)c(=O)n(C)c1
COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
COc1cc(nc(C)n1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
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,)|
COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N
COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
COc1ccc(cc1)C(=O)n1[nH]c(=O)c(c1C)-c1cn(C(C)=O)c2ccccc12 |(3.81,12.13,;4.9,11.56,;4.97,10.02,;6.33,9.3,;6.38,7.76,;5.08,6.94,;3.72,7.66,;3.66,9.2,;5.13,5.4,;6.22,4.82,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;2.23,2.7,;3.72,3.05,;4.66,2.25,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|
COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)-c1nn2c(C)nnc2c2ccccc12
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CC2(COC2)C1
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCCCC1
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCCCCC1
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCN(C)CC1
COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCOCC1
COc1ccc2n(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O
COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3ccco3)C(O)=O)c2c1)C(C)=O
COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3cnn(C)c3)C(O)=O)c2c1)C(C)=O
COc1cccc(c1)-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
COc1cccc(c1)-c1cn(C)c(=O)c2cncn12
COc1ccccc1-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1
COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r|
C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r|
C[C@@H](N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]c(C)cc12)c1ccccc1 |r|
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r|
C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
C[C@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r|
C[C@H](N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]c(C)cc12)c1ccccc1 |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
C\C=C/Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
C\C=C\Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCC(CC3)C(N)=O)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(CC3)S(C)(=O)=O)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(CC3)S(C)(=O)=O)c(F)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(C(=O)NC3CCS(=O)(=O)CC3)c(Cl)c2)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(cc2Cl)C(=O)N2CCN(CC2)S(C)(=O)=O)n2cncc2c1=O
C\C=C\Cn1cc(-c2ccc(cc2Cl)C(=O)N2CCOCC2)n2cncc2c1=O
C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Cc1c(NCc2ccccc2)cnn(C)c1=O
Cc1c(NCc2ccccc2-c2ccccc2)cnn(C)c1=O
Cc1c(NCc2ccccc2N2CCCOCC2)cnn(C)c1=O
Cc1c(NCc2ccccc2N2CCN(CCCN)CC2)cnn(C)c1=O
Cc1c(NCc2ccccc2N2CCNCC2)cnn(C)c1=O
Cc1c(NCc2ccccc2N2CCOCC2)cnn(C)c1=O
Cc1cc(=O)n(C)c2cc(ccc12)N1[C@@H]([C@H](CCC1=O)NC(=O)OC(C)(C)C)c1ccccc1 |r|
Cc1cc(cn(C)c1=O)-c1ccc(cc1)C(N)=O
Cc1cc2c(cnc(NC3CCN(CC3)C(=O)C(F)(F)CN)c2[nH]c1=O)C1=CCOCC1 |t:29|
Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Cc1ccc(CNc2cnn(C)c(=O)c2Cl)cc1
Cc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Cc1cccc(CNc2cnn(C)c(=O)c2Cl)c1
Cc1cccc(Nc2cnn(C)c(=O)c2Cl)c1
Cc1ccccc1CNc1cnn(C)c(=O)c1C
Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1
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,)|
Clc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2ccc1=O
Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2ccc1=O
Cn1c2ccccc2ccc1=O
Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O
Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)n2cncc2c1=O
Cn1cc(-c2cccc(c2)C(F)(F)F)n2cncc2c1=O
Cn1cc(-c2ccccc2)n2cncc2c1=O
Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|
Cn1ccc2cc[nH]c2c1=O
Cn1cnc2c(cc(cc12)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Cn1cnc2cc(cc(C(=O)N3CCOCC3)c12)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Cn1ncc(NCc2ccccc2)c(Cl)c1=O
Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O
Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
Cn1ncc(Nc2ccccc2)c(Cl)c1=O
FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Fc1cc(cc(C(=O)N2CCOCC2)c1F)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Fc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Nc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
OCCN1CCN(CC1)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
[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|