Compound Name

SMILES String

Brc1cc(coc1=O)C(=O)N1CCOCC1

Brc1ccc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2c1

Brc1cncc(c1)C(=O)OCC(=O)NCc1ccco1

C(=N/c1ccc(cc1)\N=C\c1ccccn1)\c1ccccn1

C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1

C(c1nnc2sc(nn12)-c1ccccn1)n1nnc2ccccc12

C1CCC2(CC1)Nc1cccc3cccc(N2)c13

C1CCCC2(CC1)Nc1cccc3cccc(N2)c13

C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1

CC(=N)C(C#N)C(=O)CSc1nc2ccccc2[nH]1

CC(=N)C(C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1

CC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccco1 |c:3|

CC(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccco1

CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1

CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15|

CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|

CC(=O)c1c(CC(O)=O)[nH]n(-c2nc3ccccc3s2)c1=O

CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(O)c(O)c2)nc1C

CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1

CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C

CC(C)C(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1

CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1

CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C

CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1

CC1CC(C)CN(C1)C(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1NCCO

CC1CCN(CC1)c1ccc(cc1N)C(O)=O

CC1Cc2c(S1)c1cc(ccc1nc2C)C(O)=O

CCC(=O)Nc1cccc(NC(C)=O)c1

CCC1=[N+](C)CCn2c(C)ccc12 |c:2|

CCCC1=NC(=O)NC(C1C(=O)OCC)c1cc(Cl)cc(OC)c1OCC(=O)OCC |t:3|

CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC

CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |r,c:10|

CCCCCc1nnc(NC(=O)Cc2cccs2)s1

CCCCNC(=O)COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1

CCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23

CCN(CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C

CCN1CCN(CC1)c1ccc(NC(=O)c2cccc3ncccc23)cc1

CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23

CCOC(=O)c1c(O)c(=CN(C)C)sc1=C |w:9.9|

CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|

CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|

CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|

CCOc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1

CCOc1ccc(cc1Br)C(=O)Nc1ccc(cc1)N1CCN(C)CC1

CCOc1ccc(cc1OCC)C(=O)OCC(=O)NCc1ccco1

CCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1

CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(CC1)c1cccc(C)c1C

CCS(=O)(=O)NCc1ccc2n(C)c(C)cc2c1

CCSc1nc(NN)c2c3CCN(C)Cc3sc2n1

CCc1ccc(NC(=O)c2noc3CCCc23)cc1

CCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1

CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1

CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O

CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O

CCn1ccc(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1OC

CN(C)C(\C)=C/c1oc2ccc(O)cc2c1[N+]([O-])=O

CN(C)CCCNC(=O)c1cc2cc(Nc3nccc(n3)-c3cccnc3)ccc2[nH]1

CN(C)CCCNc1cc2oc3ccc(C)cc3nc2c2c(O)c3ccccc3c(=O)c12

CN(C)CCSc1nc(N)c2c3CCN(C)Cc3sc2n1

CN(C)Cc1c(C)n(Cc2ccccc2)c2C(=O)c3ccc(Br)cc3-c12

CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1

CN(C)S(=O)(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1

CN(C)S(=O)(=O)NCc1cn2c(C)csc2n1

CN(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3C(=NCC2=O)c2ccccc2)cc1 |c:20|

CN(C)c1ccc(NC(=O)CN2c3ccccc3N=C(CC2=O)c2ccccc2)cc1 |c:19|

CN(C)c1ccc(NC(=O)Cn2cc3CCCCc3n2)cc1

CN(C)c1ccc(NC(=O)\C=C/C(O)=O)cc1

CN(C)c1cccc(c1)C(=O)OCc1cc(=O)oc2cc(O)ccc12

CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O

CN1CCN(CN2C(=O)\C(=N/NC(=O)CSc3nc4ccccc4s3)c3ccccc23)CC1

CN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2nnnn12

COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2OCOc2cc1[N+]([O-])=O |c:4|

COC(=O)CNc1c(nc2ccc(Br)cn12)-c1ccccn1

COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1CC=C

COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(Cc2ccc3OCOc3c2)CC1

COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(CC1)C(N)=O

COC(=O)c1c(O)c(=Cc2cccs2)n(-c2ccccc2)c1=C

COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1

COC(=O)c1ccccc1NC(=O)c1noc2CCCc12

COCCN1CCn2c(C1)nc1cc(NC(=O)NC3CCCCC3)ccc21

COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc12

COCc1cc(ccc1OC)C1SCC(=O)Nc2c1c(=O)[nH]n2C(C)C

COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1O |c:19|

COc1cc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC

COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1

COc1cc(N)ccc1-n1c(C)ccc1C |(3.08,-.18,;4.41,.59,;5.75,-.18,;5.75,-1.72,;7.08,-2.49,;7.08,-4.03,;8.41,-1.72,;8.41,-.18,;7.08,.59,;7.08,2.13,;8.33,3.04,;9.79,2.56,;7.85,4.5,;6.31,4.5,;5.84,3.04,;4.37,2.56,)|

COc1cc(NCCCC(C)N)c2ncccc2c1

COc1cc(cc(OC)c1OC)-c1nnc(SCc2cc(=O)oc3cc(O)c(O)cc23)o1

COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCN(C)CC1

COc1ccc(NC(=O)C2CCN(CC2)c2nc(C)nc3CCCc23)cc1

COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1

COc1ccc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cc1OC

COc1ccc(NC(=O)c2noc3CCCc23)cc1

COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl

COc1ccc(Nc2ccc(N)cc2)cc1

COc1ccc(OC)c(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)c1 |w:10.10|

COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1

COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|

COc1ccc(cc1)-c1coc2c(CN3CCCCC3)c(O)c(CN3CCCCC3)c(O)c2c1=O

COc1ccc(cc1)-c1nc2N=C(C)C(C(c3cccnc3)n2n1)C(N)=O |t:12|

COc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1

COc1ccc(cc1)C(N)CCc1ccc(C)o1

COc1ccc(cc1)C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|

COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O

COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nnc(s1)-c1cccnc1

COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(O)=O

COc1ccc(nn1)N1C(=O)c2cccc3cccc(C1=O)c23

COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)cc3oc(=O)c2c1

COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3oc(=O)c2c1

COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1

COc1ccc2ccccc2c1\C=N\NC(=O)c1cc2cc(Nc3cc(C)nc4c(OC)cccc34)ccc2[nH]1

COc1cccc(c1)N1CCN(Cc2ccsc2)CC1

COc1cccc2c(Nc3ccc4[nH]c(cc4c3)C(=O)N\N=C\c3ccc(SC)cc3)cc(C)nc12

COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C

COc1ccccc1-c1nnc2sc(nn12)-c1cnccn1

COc1ccccc1C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|

COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

COc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2s1

COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)C1c1ccco1 |c:12,t:15|

COc1ccccc1NCCC(=O)OCC(=O)NCc1ccco1

CS([O-])(=O)=O.Cn1cc([C+](c2c[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)c2ccccc12

CS([O-])(=O)=O.FC(F)(F)c1ccc(cc1)[C+](c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CSc1ccccc1NC(=O)c1noc2CCCc12

CSc1nc2N=C3CC(C)(C)CC(=O)C3C(c3ccccn3)n2n1 |t:5|

CSc1nnc(-c2ccco2)c(n1)-c1ccco1

C[C@H](N1C(=O)C2CCCCC2C1=O)C(=O)Nc1nc(cs1)-c1ccccn1

C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|

Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15|

Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|

Cc1c(Cl)ccc2C3C=CCC3C(Nc12)C(O)=O |c:8|

Cc1c(NC(=O)c2cc3nc(cc(C)n3n2)-c2ccccc2)c(=O)n(-c2ccccc2)n1C

Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCC1CCCO1

Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12

Cc1cc(-c2csc(N)n2)c(C)n1C

Cc1cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)n1C

Cc1cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)c(C)n1CCCn1ccnc1

Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C

Cc1cc(C)c(NC(=O)c2cc3c(nc4sccn34)s2)c(C)c1

Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O

Cc1cc(C)nc(NC(N)=Nc2ccc(N)cc2)n1 |w:10.10|

Cc1cc(C)nc(NC(N)=Nc2cccc(N)c2)n1 |w:10.10|

Cc1cc(C)nc(Nc2ccc(cc2)N2CCCC2)n1

Cc1cc(I)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|

Cc1cc(N)ccc1N1CCCC1

Cc1cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc(C)c1Cl

Cc1ccc(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O

Cc1ccc(C)n1-c1ccc(Br)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|

Cc1ccc(C)n1-c1ccc(C(O)=O)c(Cl)c1

Cc1ccc(C)n1-c1ccc(Cl)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|

Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1

Cc1ccc(C)n1-c1cccc(c1)C(O)=O

Cc1ccc(C)n1-c1ccccc1C(O)=O |(10.11,1.55,;8.64,2.03,;8.17,3.49,;6.63,3.49,;6.15,2.03,;4.72,2.61,;7.4,1.13,;7.4,-.41,;8.73,-1.18,;8.73,-2.72,;7.4,-3.49,;6.06,-2.72,;6.06,-1.18,;4.55,-1.45,;4.02,-2.9,;3.56,-.27,)|

Cc1ccc(C)n1-c1sccc1C(O)=O |(10.55,1.2,;9.09,1.68,;8.61,3.14,;7.07,3.14,;6.6,1.68,;5.13,1.2,;7.84,.77,;7.84,-.77,;9.09,-1.68,;8.61,-3.14,;7.07,-3.14,;6.6,-1.68,;5.13,-1.2,;3.99,-2.23,;4.81,.31,)|

Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O

Cc1ccc(C)n1Cc1ccc(cc1)C(O)=O

Cc1ccc(CNc2ccc3OCOc3c2)cc1

Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl

Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1

Cc1ccc(NC(=O)Nc2cccs2)c(Cl)c1

Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1C

Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1

Cc1ccc(OCCSc2nnc(-c3ccncc3)n2C)cc1

Cc1ccc(c(C)c1)-n1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1 |(7.42,4.25,;7.74,2.75,;6.6,1.72,;6.92,.21,;8.39,-.27,;9.53,.76,;10.99,.29,;9.21,2.27,;8.71,-1.77,;10.11,-2.4,;11.45,-1.63,;12.78,-2.4,;14.11,-1.63,;14.11,-.09,;15.45,.68,;15.45,2.22,;16.78,-.09,;18.24,.38,;19.14,-.86,;18.24,-2.1,;16.78,-1.63,;15.45,-2.4,;9.95,-3.93,;8.45,-4.25,;7.68,-2.92,;6.14,-2.76,;5.24,-4,;3.71,-3.84,;3.08,-2.44,;3.99,-1.19,;5.52,-1.35,)|

Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15|

Cc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccc3cccnc3c-21)-c1ccc(Br)cc1

Cc1ccc(cc1)-n1nc2ccc(NC(=O)c3ccc4OCOc4c3)cc2n1

Cc1ccc(cc1)C(=O)ONc1ccc(cc1)\N=N\C(=O)c1ccccc1O

Cc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:21|

Cc1ccc(cc1)N1CN=c2sc(=Cc3cccnc3)c(=O)n2C1 |t:10|

Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCc2ccccc2C1

Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O

Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl

Cc1ccc(cc1C(=O)Nc1nnc[nH]1)S(=O)(=O)N1CCCCC1

Cc1ccc(cc1C)N=Nc1ccc(O)c(C=NNC(=O)c2ccc(N)cc2)c1 |w:8.8,17.18|

Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1

Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|

Cc1ccc2[nH]c(=O)c(cc2c1)C1C(C#N)C(=N)Oc2c1ccc1cccnc21

Cc1ccc2cccc(c2n1)S(=O)(=O)Nc1ccc2OCOc2c1

Cc1ccc2n(CC=C)c3nc4nnc(SCC=C)n4nc3c2c1

Cc1ccc2n3CCN(C4CCc(c34)c(=O)c2c1)C(=O)CCl

Cc1ccc2nc3sc(-c4nnc(o4)-c4ccccc4[N+]([O-])=O)c(N)c3cc2c1

Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O

Cc1cccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1C

Cc1cccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c1

Cc1cccc2cc(C(N(CC3CCCO3)Cc3ccco3)c3nnnn3C(C)(C)C)c(=O)[nH]c12

Cc1ccccc1N1C(=O)c2sc3nc4CCCc4c(=O)n3c2C1=O

Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1

Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)C(=O)NCC1CCCO1

Cc1cnnn1-c1ccc(cc1)C(=O)CCl

Cc1csc(N=[NH+]C[c-]2ccc(=O)c(c2)[N+]([O-])=O)n1 |w:6.6|

Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1

Cc1nc(c(C#N)c(C)c1Cl)S(=O)(=O)NCC=C

Cc1nn2c(N)csc2nc1=O

Clc1ccc(-[#6]-n2cc(\[#6]=[#6]-3/[#6](=O)-c4ccccc4-[#6]-3=O)c3ccccc23)cc1

Clc1ccc(OCC(=O)Nc2nnc(s2)-c2ccco2)c(Cl)c1

Clc1ccc(SCC(=O)c2ccco2)cc1

Clc1ccc(cc1)C(=O)NN=c1c2cccc3cccc(c23)c1=O |w:10.10|

Clc1ccc(cc1)C1CC(=Nc2ncnn12)c1ccccc1 |c:10|

Clc1ccc2nc(CN3CCCc4ccccc34)cn2c1

Clc1cnc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1

Clc1cnc(NC(=O)COC(=O)Cc2ccccc2)c(Cl)c1

Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1

Cn1c(nc2ccccc12)C(C#N)C1=C(Cl)C(=O)N(C1=O)c1ccccc1 |c:15|

Cn1c2ccc(Nc3ccc(C=O)cc3)c3C(=O)c4ccccc4-c(cc1=O)c23

Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)Nc1ccccc1O

Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

FC(F)(F)c1cnc(Nc2ccc(cc2)N2CCOCC2)c(Cl)c1

Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|

Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1

Fc1ccc(cc1Cl)N1NC(=O)\C(=C\c2ccco2)C1=O

N1C(Nc2cccc3cccc1c23)c1ccco1

N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCC1CCCO1

NC(=O)C(C#N)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1 |t:9,19|

NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|

Nc1[nH]nc2ncc3cc4ccccc4nc3c12

Nc1cc2nsnc2cc1Br

Nc1ccc(Oc2ccc(N)c(N)c2)cc1N

Nc1ccc(c2cccc(O)c12)S([O-])(=O)=O

Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1

Nc1nc(nn1C(=O)CCc1ccccc1)-c1ccco1

O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2OCOc2c1

O=C(CCN1CCc2ccccc12)c1ccc2OCCOc2c1

O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1

O=C(COC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1)NCC1CCCCC1

O=C(COC(=O)c1cccs1)NCc1ccco1

O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1

O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCCC1

O=C(N1CCN(CC1)c1ccccc1)c1cc2CCCc2s1

O=C(N1CCc2ccccc12)c1cnccn1

O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1nnc(s1)-n1cccc1

O=C(NCCN1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 |(8.81,-3.34,;7.48,-2.57,;6.14,-3.34,;6.14,-4.88,;4.81,-5.66,;4.81,-7.2,;6.2,-7.86,;6.54,-9.36,;5.58,-10.57,;4.04,-10.57,;3.08,-9.36,;3.42,-7.86,;7.48,-1.03,;6.14,-.26,;6.14,1.28,;7.48,2.05,;7.48,3.59,;8.81,4.36,;8.81,5.9,;7.27,5.9,;10.35,5.9,;8.81,7.44,;7.48,8.21,;7.48,9.75,;8.81,10.52,;10.15,9.75,;11.52,10.57,;12.92,9.78,;12.92,8.17,;11.52,7.38,;10.15,8.21,;8.81,1.28,;8.81,-.26,)|

O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12

O=C(NCc1ccco1)c1ccc(cc1)S(=O)(=O)NCC1CCCO1

O=C(N\N=C\c1ccncc1)c1cc2cc(Nc3ccnc4ccccc34)ccc2[nH]1

O=C(Nc1ccc(cc1)N1CCCC1)C(c1ccccc1)c1ccccc1

O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1

O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1

O=C(Nc1cccnc1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

O=C1C(Cc2ccccc12)Sc1nnc(o1)-c1ccccn1

O=C1CCCC2=C1C(Nc1ccc3ccccc3c21)c1ccco1 |c:5|

O=C1N(CC#CCN2CCN(CC2)C2CCCCC2)C(=O)c2ccccc12

O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(CC23)c2ccccc2)C(=O)N1c1ccccc1

O=c1n(CCCN2CCCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1

O=c1oc2c3CCCN4CCCc(cc2s1)c34

OC(=O)C1C2CC=CC2c2cc(Oc3ccccc3)cc3C4C=CCC4CN1c23 |c:6,24|

OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|

OC(=O)C1Nc2c(cccc2C(=O)N2CCCC2)C2C=CCC12 |c:21|

OC(=O)C1Nc2c(cccc2[N+]([O-])=O)C2C=CCC12 |c:16|

OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|

OC(=O)C1Nc2ccc3ccccc3c2C2C=CCC12 |c:18|

OC(=O)CCc1ccc(-c2cccs2)n1CCC(O)=O

OC(=O)CN1C(=O)\C(=C2/SC(=Nc3nccs3)N(CC=C)C2=O)c2ccccc12 |w:11.11|

OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccccc1)[N+]([O-])=O |c:9|

OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O

OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc(c1)[N+]([O-])=O |c:11|

OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:15.16|

OC(=O)c1cccc(c1)-n1cccc1CN=O

OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(cc1)[N+]([O-])=O |c:9|

OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(Cl)c1Cl |c:9|

OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(c1)[N+]([O-])=O |c:9|

OC(=O)c1ccccc1NC(=O)c1ccccc1

OC(CN(c1ccccc1)S(=O)(=O)c1ccccc1)CN1CCCCC1

OC1c2ccccc2C(=O)C11Nn2c(n[nH]c2=S)N=N1 |c:21|

OCCN1CCN(CC1)c1cccc2C(=O)c3ccccc3C(=O)c12

Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O

Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|

Oc1ccc(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)cc1 |w:6.6|

Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1

Oc1ccc(Nc2nc(cs2)-c2ccccn2)cc1

Oc1ccc(cc1O)-c1cn2CCSc2n1

Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1

Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1

Oc1ccc2[nH]cc(CC([O-])=O)c2c1

Oc1cccc(\C=N\c2c(nc3ccccn23)-c2ccco2)c1

[#6]-c1ccc(-[#8])c(-[#7]\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1

[Cl-].CCn1cc([C+](c2c[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)c2ccccc12

[Cl-].Cc1cc[n+]2CCCc3cccc1c23

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cnnn1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)(C2)C3 |TLB:8:1:28:6.9.5,THB:2:3:9:1.27.8,2:1:9:3.28.5|

[H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC(=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)NC |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)NCC |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)NCCC |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC(C)C |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(F)=O |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:25,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OCC(F)F)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:28,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(OCC)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:26,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CCc4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=C[C@@H](CC(C)=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=C[C@@H](C[N+]([O-])=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|

[Na+].[Na+].[O-]C(=O)c1ccccc1C1C2C=CC3=CC(=O)C=CC3=C2Oc2c1ccc1cc([O-])ccc21 |c:12,18,21,t:14|

[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12

[O-][N+](=O)C(C=NCc1ccccc1)C1=CC(=O)C=CC1=O |w:5.5,c:18,t:14|

[O-][N+](=O)c1cc(ccc1Cl)-c1ccc(\C=N\c2nc3ccccn3c2-c2ccco2)o1

[O-][N+](=O)c1cc(cn(Cc2cccc(Cl)c2)c1=O)C(F)(F)F

[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl

[O-][N+](=O)c1cccc(c1)[N+]1=CC=CC1=C[c-]1c(=O)[nH]c(=S)n(CC=C)c1=O |w:14.16,c:12,t:10|

c1coc(c1)-c1nn2c(nnc2s1)-c1ccco1