387 SMILES Strings for Beta-adrenergic receptor kinase 1

Compound Name
SMILES String
C(Cc1ccccc1)Oc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
C(NCc1ccccc1)c1nc(n[nH]1)-c1ccncc1
C(Nc1cccc(OCc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
C(Nc1cccc(Oc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
C(Nc1cccc(SCc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
C(Nc1ccccc1)c1nc(n[nH]1)-c1ccncc1
CC#CC(=O)Nc1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](C)c2ccccc2)c1C |r|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
CC(=O)Nc1cc(NCc2nc(n[nH]2)-c2ccncc2)ccc1Cl
CC(=O)Nc1cc(ccn1)-c1nnc(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)n1C
CC(=O)Nc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CC(=O)Nc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CC(C)(C)NCC(O)c1cc(O)cc(O)c1
CC(C)(C)NCC(O)c1ccccc1
CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
CC(C)CCCC(C)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:25|
CC(C)CCN(CCO)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CC(C)CN(C(C)C)C(=O)CCc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CC(C)CN(CC#C)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:25|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
CC(C)NC(=O)c1cc2nc(oc2cc1O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CC(C)NCC(=O)c1ccc(O)c(O)c1
CC(C)NCC(O)c1cc(O)cc(O)c1
CC(C)NCC(O)c1ccc(O)c(O)c1
CC(C)NCC(O)c1ccc(O)cc1
CC(C)NCC(O)c1cccc(O)c1
CC(C)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
CC(C)n1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
CC(CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1)N1CCCCCC1 |c:20|
CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl
CC(N)c1ccc(Oc2ccc3COB(O)c3c2)c(F)c1
CC(N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CC#C)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CCCO)CCCO)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CCO)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N2CCCC(CC2)C(C)(C)C)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N2CCOC(CCO)C2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N2Cc3ccc(C)cc3C2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCC2CCN(CC2)C2CC2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2cc(C)ccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2ccc(nc2)C#N)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CCC(=O)NCC2(C)CCCCC2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CCC(=O)NCC2(CO)CC2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(CCC(=O)NCCc2ccccc2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NC1CC2CC3(C)C2(C)C13C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NC1CC2CCC1(C)C2(C)C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NC1CN2CCC1CC2)C(=O)Nc1ccc2[nH]ncc2c1 |t:1,(60.21,-53.31,;60.21,-51.77,;58.88,-51.01,;58.86,-49.47,;60.2,-48.69,;61.53,-49.47,;62.86,-48.69,;61.52,-51.01,;57.53,-48.7,;56.2,-49.48,;54.86,-48.71,;54.85,-47.17,;53.51,-46.41,;56.19,-46.4,;57.52,-47.16,;56.18,-44.84,;57.52,-44.08,;54.84,-44.08,;54.84,-42.54,;53.5,-41.78,;53.5,-40.23,;54.84,-39.47,;56.17,-40.23,;56.18,-41.77,;54.7,-41.79,;54.99,-40.64,;57.54,-51.77,;57.55,-53.31,;56.2,-51.02,;54.87,-51.78,;54.88,-53.33,;53.54,-54.11,;52.2,-53.33,;50.73,-53.81,;49.83,-52.56,;50.73,-51.31,;52.2,-51.79,;53.53,-51.03,)|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(Cl)cccc1Cl)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cn2ccccc2n1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cnc2CCCc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
CCC(=O)NCc1ccc(Nc2nc(Nc3ccccc3C(=O)NC)c3cc[nH]c3n2)c(OC)c1
CCC(=O)NCc1ccc(OC)c(Nc2nc(Nc3ccccc3C(=O)NC)c3cc[nH]c3n2)c1
CCC(=O)Nc1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
CCC(=O)Nc1ccc(OC)c(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c1
CCC(=O)n1nc2-c3ccccc3C(=O)c2c1C(C)(C)C
CCC(C)CN(CCO)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CCC(C)N(C)C(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:22|
CCC(C)N(CO)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:24|
CCC1(O)CCCN(C1)C(=O)CCc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(OC)cc2)C(N)=O)C1 |t:15|
CCCCCCC(C)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:25|
CCCCN(CC#CC)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CCCCNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CCCC[N+](C)(C)CCC(=O)NC(C)(C)CS([O-])(=O)=O
CCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl
CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
CCCNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CCCOC1CCN(C1)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@@H](C)c2ccccc2)c1C |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](C)c2ccccc2)c1C |r|
CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c(C)c1
CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1
CCOc1ccc(CCNC(=O)C2CC(C)=CCC2C(O)=O)cc1OCC |c:15|
CCOc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1
CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(O)=O |r,wU:46.51,8.10,2.2,wD:54.59,35.43,24.32,14.21,4.4,(31.59,-26.8,;31.59,-25.27,;32.95,-24.49,;34.27,-25.25,;32.95,-22.91,;31.59,-22.13,;30.27,-22.9,;30.27,-24.47,;28.91,-22.11,;28.91,-20.59,;30.27,-19.8,;27.59,-22.88,;26.24,-22.1,;26.24,-20.57,;24.91,-22.86,;24.91,-24.42,;26.24,-25.19,;27.64,-24.59,;28.66,-25.75,;27.88,-27.08,;26.37,-26.75,;23.55,-22.08,;22.23,-22.84,;22.23,-24.41,;20.87,-22.05,;20.87,-20.53,;22.23,-19.74,;22.23,-18.21,;23.58,-17.43,;23.58,-15.9,;22.26,-15.14,;24.94,-15.12,;19.55,-22.82,;18.19,-22.04,;18.19,-20.51,;16.87,-22.8,;16.87,-24.36,;18.19,-25.13,;18.19,-26.7,;19.51,-27.47,;19.51,-29.03,;18.16,-29.81,;20.84,-29.79,;15.51,-22.02,;14.19,-22.78,;14.19,-24.35,;12.83,-22,;12.83,-20.47,;14.19,-19.69,;14.19,-18.16,;15.55,-20.47,;11.51,-22.77,;10.16,-21.98,;10.16,-20.45,;8.82,-22.75,;8.82,-24.31,;10.15,-25.08,;10.15,-26.64,;11.48,-24.31,;7.48,-21.97,;6.14,-22.75,;6.14,-24.29,;4.8,-21.97,;3.47,-22.74,;34.27,-22.16,;35.63,-22.94,;34.27,-20.63,)|
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r|
CCc1ccc2nc(oc2c1O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1 |c:23|
CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
CN(C)COc1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(-c3ccccn3)c2o1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CN(CC1CCCCO1)C(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CN(Cc1cc(C)[nH]n1)C(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CN(Cc1ccccc1)C(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CN(Cc1nc(C)c[nH]1)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
CN(c1ccccc1)c1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
CN1C2CCC1CN(CC2)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:29,TLB:0:1:3.4:7.8.9.6|
CN1CC(CC1=O)NC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:18|
CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)C#CC)ccc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)C=C)ccc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)\C=C\CN(C)C)ccc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNS(=O)(=O)C=C)ccc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C=C)cc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)\C=C\CN(C)C)cc2OC)nc2[nH]ccc12
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNS(=O)(=O)C=C)cc2OC)nc2[nH]ccc12
CNCC(O)c1ccc(O)c(O)c1
CNCCC(c1cccc(OC)c1)n1cnc2ccc(cc2c1=O)-c1cn[nH]c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CNc1cc(ccn1)-c1nnc(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)n1C
CNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
COC(=O)C1(CCCCC1)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
COC(=O)c1ccc(\C=C\c2ccc(o2)[N+]([O-])=O)o1
COCCCC1CCCCN1C(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
COCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1 |c:25|
COc1cc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)ccc1F
COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
COc1cc(NC(=O)\C=C\CN(C)C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C
COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1 |c:24|
COc1ccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)cc1
COc1ccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)cc1F
COc1ccc(NC(=O)C=C)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
COc1ccc(NCC(=O)N\N=C\c2ccncc2)cc1
COc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
COc1ccc(cc1)-c1c(O)ccc2nc(oc12)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
COc1ccc(cc1)-c1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
COc1ccc(cc1)C(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
COc1ccc(cc1)N(C(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1ccccc1
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|
COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
COc1ccc2nc(oc2c1-c1ccc2cn[nH]c2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1 |c:25|
COc1cccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)c1
COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1
COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1
COc1cccc(NCC(=O)N\N=C\c2ccncc2)c1
COc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:30|
COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:29|
COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
COc1cccc(c1)[C@@H](C)n1cnc2ccc(cc2c1=O)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@H](C)n1cnc2ccc(cc2c1=O)-c1cn[nH]c1 |r|
COc1ccccc1C(C)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
COc1ccccc1CNC(=O)Cc1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
COc1ccccc1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)n2C)c1
COc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1
COc1ccccc1NCC(=O)N\N=C\c1ccncc1
COc1ccccc1NCc1nc(n[nH]1)-c1ccncc1
CS(=O)(=O)Oc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCC#C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCC=C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCC#C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCC=C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C(=C\C(C)(C)C)\C#N)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C(O)CCl)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C4CO4)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C=C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CBr)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccccn1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccncc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)\C=C\CN(C)C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NS(=O)(=O)C=C)c3C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(c3C)[N+]([O-])=O)c2c1)c1ccccc1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@H](Cc1ccc(C)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CBr)c3C)c2c1 |r|
C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
C[C@H](Cc1cccc(C)c1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|
C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)NC(C)(C)Cc2ccccc2)c(C)c1NC(=O)CCl
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)NC2(Cc3ccccc3)COC2)c(C)c1NC(=O)CCl
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc2ccccc2)c(C)c1NC(=O)CCl
Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1
Cc1c(O)ccc2nc(oc12)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F
Cc1c2B(O)OCc2ccc1Oc1cccc(CNC(=O)OC(C)(C)C)c1F
Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
Cc1cc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n[nH]1 |r|
Cc1cc(ccn1)-c1n[nH]c(CNc2ccc(Cl)cc2)n1
Cc1cc2ccccc2n1CCNC(=O)c1cccs1
Cc1cc2nc(oc2cc1O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Cc1cccc(C)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
Cc1cnc(CNC(=O)CCc2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)o1 |c:25|
Cc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
Cc1noc(C)c1CCNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Clc1ccc(CNc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccc(CSc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccc(NCC(=O)N\N=C\c2ccncc2)cc1
Clc1ccc(NCCc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1NC(=O)Cc1ccccc1
Clc1ccc(SCc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccc(cc1)C(=O)Nc1nc(n[nH]1)-c1ccncc1
Clc1cccc(NCC(=O)N\N=C\c2ccncc2)c1
Clc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Clc1cccc(OCc2n[nH]c(n2)-c2ccncc2)c1
Clc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1
Clc1ccccc1NCC(=O)N\N=C\c1ccncc1
Clc1ccccc1NCc1nc(n[nH]1)-c1ccncc1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCCCc2ccccc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCCc2ccccc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCc2ccccc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Cn1c(CNc2cccc(c2)C(=O)NCc2cccc(c2)C(F)(F)F)nnc1-c1ccncc1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1 |r|
Cn1nccc1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1
FC(F)Oc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
Fc1cc(cc2c1ncn(Cc1ccccc1)c2=O)-c1cn[nH]c1
Fc1cc2ncn(Cc3ccccc3)c(=O)c2cc1-c1cn[nH]c1
Fc1ccc(CNC(=O)c2cccc(Cn3cnc4ccc(cc4c3=O)-c3cn[nH]c3)c2)cc1
Fc1ccc(NC(=O)c2cccc(Cn3cnc4ccc(cc4c3=O)-c3cn[nH]c3)c2)cc1
Fc1ccc(Oc2cccc(Cn3cnc4ccc(cc4c3=O)-c3cn[nH]c3)c2)cc1
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Fc1ccc(cc1C(=O)NCCc1c[nH]cn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCCc1cc[nH]n1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCCc1ccccc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCCc1cccnc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCCc1ccncc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1c(Cl)cccc1Cl)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1ccccc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1ccccc1C(F)(F)F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1cccnc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1ccn[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1ccncc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1C(=O)NCc1ncc[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1CC(=O)NCCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1CC(=O)NCCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1ccc(cc1CC(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1cccc(F)c1CCNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1cccc(F)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Fc1cccc(F)c1CNC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)cc1
Fc1cccc(F)c1CNC(=O)c1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
Fc1cccc(F)c1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1
NC(=O)Cc1c(N)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
NC(=O)OCc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1 |t:8|
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
NS(=O)(=O)c1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
NS(=O)(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Nc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2cc(Nc3ccccc3)ccc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCCCC1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCOCC1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(NC(=O)Nc3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Nc3c(F)cccc3F)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Nc3cc(F)cc(F)c3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Nc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Nc3ccccn3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccc4cn[nH]c4c3)c2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccccc3)c2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(OCc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(OCc3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Oc3cc(Cl)ccn3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Oc3cc(ccn3)C#N)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Oc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Oc3ccc(nn3)-c3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Oc3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(Oc3ncccn3)cc2o1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(cc2o1)-c1ccc2[nH]ncc2c1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(cc2o1)-c1cn[nH]c1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCCC1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCOCC1)-c1cnn(c1)C1CCNCC1
Nc1ncc(cc1-c1nc2cccc(-c3ccccn3)c2o1)-c1cccc(c1)C(=O)NCCN1CCOCC1
O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12
O=C(CNc1cccc(Oc2ccccc2)c1)N\N=C1/CCCc2cnccc12
O=C(CNc1cccc(c1)C(=O)N1CCOCC1)N\N=C1/CCCc2cnccc12
O=C(CNc1cccc(c1)C(=O)NCc1ccccc1)N\N=C1/CCCc2cnccc12
O=C(CNc1ccccc1)N\N=C1/CCCc2cnccc12
O=C(CNc1ccccc1)N\N=C\c1ccncc1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC(=O)CN1CCCC1=O
O=C(Cc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1)NCc1ccccc1
O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)Nc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2[nH]nc(c2-c2ccccc2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2c[nH]c(n2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(c[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(n[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(no2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(on2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2ccn(c2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2csc(n2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(c[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(cs2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(no2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nnc(-c3ccncc3)n2Cc2ccccc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nnc(o2)-c2ccncc2)c1
O=C(Nc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=S(=O)(Cc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=S(=O)(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=c1n(Cc2ccccc2)cnc2cc(ccc12)-c1cn[nH]c1
O=c1n(Cc2ccccc2)cnc2ccc(cc12)-c1ccn[nH]1
O=c1n(Cc2ccccc2)cnc2ccc(cc12)-c1ccncc1
O=c1n(Cc2ccccc2)cnc2ccc(cc12)-c1cn[nH]c1
O=c1n(Cc2ccccc2)cnc2ccc(cc12)-c1cncnc1
OC(=O)C1CCCCC1C(=O)Nc1cccc(Br)c1
OC(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1
OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O
OC(=O)Cc1ccc(cc1)-n1cccc1
OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
OCCc1cnccc1-c1n[nH]c(CNc2ccc(Cl)cc2)n1
OCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
OCc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
OS(=O)(=O)O[C@H]1[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Oc1ccc(Cl)cc1N=Nc1c(O)c2c(O)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O |w:9.10|
[Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13
[O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(5.85,4.65,;5.85,3.11,;4.52,2.34,;7.18,2.34,;7.18,3.88,;8.52,4.65,;9.85,3.88,;9.85,2.34,;8.52,1.57,;8.52,.03,;9.85,-.74,;11.23,.08,;12.62,-.71,;13.95,.06,;12.62,-2.32,;13.95,-3.09,;11.23,-3.11,;11.21,-4.65,;9.85,-2.28,;8.52,-3.05,;7.18,-2.28,;5.81,-3.11,;5.82,-4.65,;4.41,-2.32,;3.08,-3.09,;4.41,-.71,;3.08,.06,;5.81,.08,;7.18,-.74,)|