Compound Name

SMILES String

CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)CC2NC1=O

c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N

c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N

NC(=O)c1cccc(NC(=O)CCC(O)=O)c1

C\C(=C\C(O)=O)C(=O)Nc1cccc(c1)C(N)=O

C\C(=C\C(=O)Nc1cccc(c1)C(N)=O)C(O)=O

CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O

NC(=O)c1cccc(NC(=O)C2CC2C(O)=O)c1

NC(=O)c1cccc(NC(=O)C2=C(CCC2)C(O)=O)c1 |t:11|

CC1=C(C)C(=O)N(C1=O)c1cccc(c1)C(N)=O |c:1|

NC(=O)c1cccc(NC(=O)CCCC(O)=O)c1

CNC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O

CNC(=O)\C=C\C(=O)Nc1cccc(c1)C(N)=O

NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1

CCN(CC)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O

COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O

CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O

NC(=O)c1cccc(NC(=O)C2CCC(=O)C2)c1

c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3

CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2

CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1

CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1

COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4

COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4

C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c(cn1)-c1ccc(cc1)-c1nc2n(C)ccc2c(=O)[nH]1 |r|

NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|

Cn1ncnc1[C@H]1[C@@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r|

c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F

CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3

CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2

Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5

c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5

NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)|

c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N

COc1ccc(cc1)C(=O)N

c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)O

NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1

NC(=O)c1ccc(OCc2ccccc2F)cc1

Cc1c2CCNC(=O)c2ccc1-c1ccnc(c1)C(F)(F)F

CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(2.31,-18.95,;3.77,-18.47,;4.92,-19.5,;6.38,-19.02,;7.54,-20.05,;9,-19.57,;9.31,-18.07,;8.17,-17.04,;6.7,-17.51,;10.77,-17.6,;11.25,-16.13,;12.79,-16.13,;13.26,-17.6,;14.73,-18.07,;15.42,-19.45,;16.8,-18.75,;16.1,-17.38,;18.26,-19.23,;19.41,-18.2,;19.09,-16.69,;20.87,-18.67,;22,-17.64,;23.47,-18.11,;23.79,-19.62,;22.65,-20.65,;21.19,-20.18,;12.02,-18.5,;12.02,-20.04,;10.68,-20.81,;10.68,-22.34,;12.02,-23.12,;13.36,-22.34,;13.35,-20.8,;14.68,-20.03,)|

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.18,-57.78,;2.08,-56.54,;3.59,-56.7,;4.49,-55.47,;6.01,-55.63,;6.9,-54.39,;6.29,-53.01,;4.77,-52.84,;3.87,-54.07,;7.18,-51.78,;6.71,-50.31,;7.95,-49.39,;9.21,-50.31,;10.68,-49.82,;12.05,-50.53,;12.76,-49.16,;11.38,-48.45,;14.23,-48.68,;14.56,-47.17,;13.41,-46.13,;16.03,-46.68,;16.34,-45.17,;17.81,-44.69,;18.97,-45.72,;18.65,-47.24,;19.79,-48.27,;19.48,-49.77,;18,-50.26,;16.86,-49.22,;17.18,-47.72,;8.73,-51.78,;9.63,-53.02,;9,-54.41,;9.9,-55.64,;11.41,-55.48,;12.03,-54.08,;11.13,-52.85,;11.75,-51.45,)|

c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N

c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O

c1cc2c(cc1O)-c3ccsc3NC2=O

c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O

CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O

COc1ccc2c(c1)-c3ccsc3NC2=O

CCOc1ccc2c(c1)-c3ccsc3NC2=O

c1ccc2c(c1)-c3ccsc3NC2=O

CC#Cc1cc(C)c2nc(CSc3ncccn3)[nH]c(=O)c2c1

c1cc(ccc1C(=O)N)OCC2CCCCC2

c1cc(ccc1C(=O)N)OCC2CCCC2

c1cc(ccc1C(=O)N)OCC2CCC2

c1cc(ccc1C(=O)N)OCC2CC2

c1cc(ccc1C(=O)N)OCc2cncs2

COc1cc(ccc1C(=O)N)OCC2CCCCC2

COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br

COc1cc(OCc2cccc3ccccc23)ccc1C(N)=O

COc1cc(OCc2ccccc2F)ccc1C(N)=O

NC(=O)c1ccc(OCC2CCCCC2)cc1F

NC(=O)c1ccc(OCC2CCC2)cc1F

NC(=O)c1ccc(OCc2cccc(Br)c2)cc1F

COc1ccccc1COc1ccc(C(N)=O)c(F)c1

NC(=O)c1ccc(OCC2CCCCC2)cc1OCc1ccccn1

NC(=O)c1ccc(OCC2CCC2)cc1OCCN1CCNCC1

O=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12

O=c1[nH][nH]c(=O)c2cc(OCC3CCCC3)ccc12

O=c1[nH][nH]c(=O)c2cc(OCC3CCC3)ccc12

O=c1[nH][nH]c(=O)c2cc(OCC3CC3)ccc12

Brc1cccc(COc2ccc3c(c2)c(=O)[nH][nH]c3=O)c1

Fc1ccccc1COc1ccc2c(c1)c(=O)[nH][nH]c2=O

O=c1[nH][nH]c(=O)c2cc(OCc3ccsc3)ccc12

Cc1cccc(c1)C(=O)N[C@H](C(N)=O)C(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O |r|

NC(=O)c1ccc(Oc2ccc(cc2)C#N)cc1

c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N

CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C

Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3

CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O

Cc1cccc(c1)C(=O)N[C@@H](CNC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O)C(N)=O |r|

CNC(=O)[C@H](CNC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O)NC(=O)c1cccc(C)c1 |r|

NC(=O)[C@H](CNC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O)NC(=O)COc1ccc2ccc(=O)oc2c1 |r|

Cc1ccc2c(c1)sc3n2cnn3

c1nnc2sc3ccccc3n12

Cc1ccc2c(c1)n3cnnc3s2

Cc1cccc2c1sc1nncn21

CCc1ccc2c(c1)sc1nncn21

CC(C)c1ccc2c(c1)sc3n2cnn3

c1cc2c(cc1Cl)sc3n2cnn3

Cc1cc(c2c(c1)sc3n2cnn3)C

Cc1ccc(F)c2c1sc1nncn21

COc1ccc2sc3nncn3c2c1

COc1ccc2c(c1)sc3n2cnn3

COc1cccc2c1sc1nncn21

COc1cccc2sc3nncn3c12

COc1ccc(c2c1n3cnnc3s2)OC

COc1cc(OC)c2sc3nncn3c2c1

c1cc2c(cc1O)sc3n2cnn3

Oc1cccc2c1sc1nncn21

Oc1ccc(O)c2c1sc1nncn21

Cc1ccc2c(c1)sc1nnc(O)n21

Cc1ccc2c(c1)sc1nnc(S)n21

Cc1ccc2c(c1)sc1nnc(N)n21

CSc1nnc2sc3cc(C)ccc3n12

Cc1ccc2c(c1)sc1nnc(SCc3ccc(Cl)cc3)n21

Cc1ccc2c(c1)sc1nnc(\N=C/c3ccc(Cl)cc3)n21

Cc1ccc2c(c1)sc1nnc(NCc3ccc(Cl)cc3)n21

COc1ccc(c2c1n3c(nnc3s2)N)OC

COc1ccc(OC)c2c1sc1nnc(NC(=O)c3ccc(Cl)cc3)n21

Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nnc2-c1ccc(Br)o1