Compound Name

SMILES String

Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1

CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1

O=c1ccsn1Cc1ccccc1

Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1

COc1cccc(c1)C(=O)Nc1nnc(s1)C(C)C

CN1\C(Sc2ccccc12)=C/C(=O)c1cccs1

CCOc1ccccc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1

Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O

CC(C)c1nnc(NC(=O)c2cccc(c2)-n2cnnn2)s1

CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1

Cc1[nH]c(=S)c(C#N)c(C)c1CC=C

CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S

COc1cc(Sc2ccc(C)cc2)c(OC)cc1N

Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F

CN(O)\C=c1\ccc2=CC=CC(=O)c2n1 |c:9,t:7|

COc1cc(cc(OC)c1OC)-c1nnc2SCC(=Nn12)c1ccccc1 |c:19|

CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cnccn1

COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:23|

Cc1cc(C(=O)CSc2nnc(C)s2)c(C)n1-c1ccc2OCOc2c1

Clc1ccc2sc(SCC(=O)c3ccco3)nc2c1

CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|

C(Nc1ccc2OCOc2c1)c1ccncc1

O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1

O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCCC1

CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O

[O-]\[N+](=C/c1ccncc1)c1ccccc1

CCn1c2ccccc2c2nc3cc(ccc3nc12)S(=O)(=O)N1CCOCC1

Cc1ccnc(n1)-n1sc2ccccc2c1=O

CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc34)cc12

CCCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc1ccc(OC)cc1OC

COc1cc(OC)cc(c1)\N=c1\ssnc1Cl

CCn1c(N)c(sc1=S)C(=O)NC

CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C

Nn1c(CSc2nc3ccccc3o2)nnc1CSc1nc2ccccc2o1

CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1

CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C#N)c1C

CCOc1ccc(CNc2ccc(cc2)N2CCCC2)cc1

CCC1(CC)Cc2ccccc2C(=N)C1C#N

CCOC(=O)c1c(NC(=O)c2ccco2)scc1C1COc2ccccc2O1

CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1

OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1

Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCN(CC1)C(=O)c1ccco1

Cc1ccc(CNc2ccc(O)cc2)cc1

Brc1cc2[nH]cnc2c2ccccc12

Cc1noc(C(=O)Nc2sc3CCCc3c2C#N)c1Cl

CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O

Cc1cc(C)c2c(n1)sn(CC(=O)N1CCC(CC1)N1CCCCC1)c2=O

Clc1ccc(s1)S(=O)(=O)NCc1csc(n1)-c1ccccc1

O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1

Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)N1CCc2ccccc12

CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c1ccccc21

[O-]\[N+](=C\c1cccnc1)c1ccc(Br)cc1

CCN(CC)c1nc(N)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1

CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|

C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O

C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O

CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31

CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|

Cc1ccc(cc1)S(=O)(=O)N=C1C=C(C2C(=O)CC(C)(C)CC2=O)C(=O)c2ccccc12 |w:10.10,t:13|

COc1cc(Nc2ccc(nn2)-c2ccccc2F)cc(OC)c1OC

COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|

CC(C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1

Cc1c(\C=C\C(=O)c2ccc(Cl)s2)cnn1C

CC1N(C)c2cccc3cccc(N1C)c23

CCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1

Clc1ccccc1\C=C(/N1C=CC=CC1=C(C#N)C#N)C(=O)c1ccccc1 |c:11,13|

Oc1ccc(NCc2n[nH]c(=O)c3ccccc23)cc1

CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1

CCOC(=O)c1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCC1CCCO1

COc1ccc(cc1)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F

COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|

CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1

Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c2OC(C)(C)Cc12

OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1

Cc1ccc(cc1CNC(=O)\C=C\c1ccccc1)-c1nn(C)c(=O)c2ccccc12

C(Nc1ccc2OCOc2c1)c1cccnc1

CCn1c2ccccc2c2cc(C=Nn3cn[nH]c3=S)ccc12 |w:13.14|

C1Cc2ccc3cccnc3c2-n2cc(nc12)-c1ccccc1

CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|

CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|

Oc1ccc(cc1O)-c1cn2CCSc2n1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|

Clc1ccc(cn1)C(=O)Nc1nnc(SCC=C)s1

CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C(C(C)=O)C(O)=O)c(Br)c(O)c(O)c12

CCOc1ccc(cc1)N(CC(=O)N\N=C\c1cc(ccc1Cl)[N+]([O-])=O)S(C)(=O)=O

O=c1[nH]c2ccccc2n2c(nnc12)-c1ccccc1

O=c1n(sc2ccccc12)-c1ccccc1

Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1

OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

CC1(C)CN(N(C(=O)c2ccc(cc2)C#N)C1=O)c1ccccc1

CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccccc1C(=O)OC

COC(=O)c1ccccc1NC=C1CCc2c(c(C)nn2-c2ccccn2)C1=O |w:11.11|

Clc1ccccc1C(=O)Nc1ccccc1C(=O)NN=Cc1ccco1

ClC1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O

Cc1c(Cl)c(nn1Cc1ccc(o1)C(=O)NN=Cc1cccc(Br)c1)[N+]([O-])=O

CCn1c(SCC=C)nc2sc-3c(CCc4ccccc-34)c2c1=O

Clc1ccc2nc(cn2c1)-c1ccc(Br)s1

C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1cccc(Cl)c1

C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccccc1

C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccc(Cl)c(Cl)c1

CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4cccc5cccc(C3=O)c45)cc12 |t:1|

COc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc(OC)c1O |c:8|

COc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)ccc1O |c:8|

Cc1ccc(NNS(=O)(=O)c2ccc(C)cc2)cc1

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#6]-1=O)=[#7]/[#8]-[#6](=O)\[#6]=[#6]\c1ccccc1 |t:1,4|

CCS(=O)(=O)N1CCN(CC1)c1ccc(c(NC(C)c2ccccc2)c1)[N+]([O-])=O

Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|

Cc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC(=O)c1ccc(cc1)[N+]([O-])=O

Cc1ccc(cc1)S(=O)(=O)NNc1ccccc1

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(Cl)cc1 |w:25.27|

COc1cc(CNc2ccc(cc2)N(C)C)cc(Cl)c1OCC=C

COc1cccc(c1)C1(CC1C(=O)Nc1ccc(F)cc1)c1cccc(OC)c1

CN1CCN(CC1)C(=S)c1ccc(Br)cc1

Cc1ccc(cc1)-n1sc2ccccc2c1=O

O=C(Nc1ccc(cc1)N1CCCC1)c1cccc(c1)-c1cc2ccccc2oc1=O

CN1CCN(CC1)C(=S)c1ccc(cc1)[N+]([O-])=O

COc1cc(CNc2ccc(cc2)N2CCCC2)ccc1OCc1ccccc1F

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccc(Br)cc1

Oc1cc(nc2ccccc12)C1C(=O)c2ccccc2C1=O

Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12

Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1

CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C

COc1ccc(cc1OC)C1(CNC(=O)c2ccc(OC)c(c2)[N+]([O-])=O)CCCCC1

ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1

Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1

Cc1ccccc1N=C(SCc1cccc(Br)c1)C(C#N)C(N)=O |w:7.7|

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccccc1

Cc1ccc(NC(=O)c2cc(ccc2Cl)N2C(=O)C=CC2=O)cc1C |c:19|

CCCCOc1ccc(Cc2n[nH]c(=S)n2N)cc1

CCc1ccc(OCC(=O)N[N-][CH+]c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1

O=C(CNc1ccc2OCOc2c1)NN=Cc1cn(Cc2ccccc2)c2ccccc12

COc1cc(cc(OC)c1OC)C(=O)ON=C1C=C(C)C(=O)C=C1C |w:15.15,c:23,t:18|

NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2N=C1c1ccccc1Br |c:22|

Oc1cc2ccccc2c2C(C(C#N)C(=N)Oc12)c1ccsc1

COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C=C1C |w:15.15,c:18,22|

Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|

COc1ccc(\C=C\c2nc3ccccc3n2Cc2ccc(OC)c(OC)c2)cc1

Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

Cc1ccc(cc1)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc(OC(=O)c2ccncc2)c2ccccc12

Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1

CCOC(=O)CSc1nnc(NC(=O)c2cccc(c2)[N+]([O-])=O)s1

CCC(CO)[n+]1c(C)cc(\C=C2/Sc3ccccc3N2Cc2ccccc2)cc1C

CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1

Cc1ccsc1C=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl |w:7.8|

Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:7|

Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|

Cc1cc(C)c[n+](c1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|

CC1=C(C([C-](C#N)C(=[NH2+])O1)c1cccnc1)n1nnc(n1)[N+]([O-])=O |t:1|

CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC

Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1

Cc1cn2c([NH-])c([CH+]c3ccc(o3)[N+]([O-])=O)c(=O)nc2s1

CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC

[#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8]-[#6])-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:24,t:18|

CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1cccs1

Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25|

Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1

C1CN(CCO1)c1nc(-c2ccccc2)n([s+]1)-c1ccccc1

CCOc1ccccc1C=NNC(=O)COc1ccccc1CC=C

[#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12

[#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|

Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1

Cc1ccc2nc(SCC(=O)NC3CCCc4ccccc34)[nH]c2c1

O=C(CSc1nc2ccccc2[nH]1)NC1CCCc2ccccc12

Clc1ccc2nc(SCC(=O)NC3CCCc4ccccc34)[nH]c2c1

CC1CCc2c(C1)nc1sc3CCCCc3c1c2N

Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|

Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2n1C)-c1ccccc1 |w:9.10|

COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)CC1

Cc1ccc(\C=C\C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(C)c(C)c2)o1

COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(C)c3C)c2)cc1

Cc1[nH]c2ccccc2c1C=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl |w:11.13|

Clc1ccccc1NC(=O)CCC(=O)NN=Cc1ccccc1

COc1ccc(cc1)C(=O)Nc1sc2COC(C)(C)Cc2c1C(O)=O

CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC

COc1ccc(cc1)N1C(=S)NC(=Cc2cccs2)C1=O |w:13.14|

COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC=C

C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccc(O)cc1O

CNCc1ccccc1Sc1cc(O)ccc1O

CC(CNc1ccccc1O)C(O)=O

Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1

CCC(C)c1ccccc1OCCn1ccnc1

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)Cc1ccccc1

Cc1ccc(\C=C\C(=O)NC2CCCCCCC2)o1

COc1ccc(cc1Br)-c1cn2cc(C)ccc2n1

Cc1ccc2nc(SCC(=O)NN=Cc3ccco3)cc(C)c2c1

COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O

COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O

CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1

Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C(=O)NN=Cc1ccccc1

COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC=C

CC1=CC(=NNC(=O)c2ccccc2O)c2ccccc2C1=O |w:4.4,t:1|

c1cc2c(cc1F)SNC2=O

Cc1ccccc1-n1sc2cc(F)ccc2c1=O

CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccccc1Br |t:1|

Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|

CCOc1ccccc1CNc1ccc(O)cc1

OC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2CCCc12

Clc1ccc(cc1)C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1

Cc1[nH]c2ccccc2c1CN=Nc1nncn1N |w:11.12|

[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|

C(N=Nc1nc2ccccc2[nH]1)c1ccccn1 |w:2.2|

Cc1nnc(N=NCc2ccc(o2)-c2cccc(c2)C(O)=O)n1N |w:5.4|

CC1(C)CC2(CC(c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1

Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1 |c:25|

[O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1

Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCC1

[O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)OCC(=O)NC1CC1

Cc1cccc(c1)-n1c(=S)[nH]c2sc-3c(CCc4ccccc-34)c2c1=O

CCN1CCN(CC1)C(=S)c1ccc(O)cc1

Clc1cccc(Cl)c1CNc1ccc(cc1)N1CCCC1

Cc1ccc(\C=C\C(=O)NCc2ccc(cc2)S(N)(=O)=O)o1

CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1

CCOc1ccc(Cl)cc1C=NNC(N)=O |w:11.12|

[O-][N+](=O)c1ccc(Sc2cccc3cccnc23)c2cccnc12

COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O

Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(cc1C)C(O)=O |(10.77,-3.14,;10.93,-1.6,;9.79,-.57,;10.41,.83,;9.64,2.17,;8.1,2.17,;7.2,3.41,;7.68,4.87,;5.75,2.94,;4.41,3.71,;3.08,2.94,;3.08,1.4,;4.41,.63,;5.75,1.4,;7.2,.93,;7.68,-.54,;11.95,.67,;12.98,1.82,;12.27,-.83,;13.67,-1.46,;14.92,-.55,;16.32,-1.18,;16.49,-2.71,;15.24,-3.62,;13.83,-2.99,;12.59,-3.9,;17.89,-3.34,;19.14,-2.43,;18.05,-4.87,)|

CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O

CC(C)(C)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C(O)=O

Cc1cc(SCC(=O)NN=Cc2ccco2)nc2ccccc12

CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)cc1O |(13.16,-3.85,;11.66,-4.17,;10.63,-3.02,;11.1,-1.56,;10.07,-.41,;10.55,1.05,;12.01,1.53,;12.01,3.07,;10.55,3.54,;10.07,5.01,;9.64,2.3,;8.1,2.3,;7.2,1.06,;5.75,1.53,;4.41,.76,;3.08,1.53,;3.08,3.07,;4.41,3.84,;5.75,3.07,;7.2,3.54,;7.68,5,;8.57,-.73,;7.1,-.26,;8.09,-2.2,;9.12,-3.34,;8.65,-4.81,)|

Cc1nnc(N=NCc2ccc(o2)-c2ccccc2F)n1N |w:5.4|

Nc1ccc(cc1)N(CCO)CCO

Cc1cc(C)nc(NC(N)=Nc2ccccc2-c2ccccc2)n1 |w:10.10|

COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1

CC1CN(NC1=O)c1ccccc1

O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|

Clc1nss\c1=N/c1ccc(Cl)cn1

COc1cccc(C=NNC(=O)c2c(C)nc3ccc(Br)cn23)c1

COc1ccc(\C=C\c2nc3ccccc3n2C)cc1

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)CNC(=O)c1cccs1

COc1ccc(NC(C)C(=O)NN=Cc2cc(Br)ccc2OC)cc1

Nc1c(sc(=S)n1-c1ccccc1F)C(=O)Nc1ccc(F)cc1 |(8.5,-2.26,;7.04,-1.79,;6.56,-.32,;5.02,-.32,;4.54,-1.79,;3.08,-2.26,;5.79,-2.69,;5.79,-4.23,;7.12,-5,;7.12,-6.54,;5.79,-7.31,;4.46,-6.54,;4.46,-5,;3.12,-4.23,;7.47,.92,;9,.76,;6.84,2.33,;7.74,3.58,;9.28,3.41,;10.18,4.66,;9.55,6.07,;10.46,7.31,;8.02,6.23,;7.12,4.98,)|

COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|

CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1

Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(F)c1)c2=O

CCn1c(nc2n(C)c(=O)[nH]c(=O)c12)[N+]([O-])=O

Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12

CCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O

Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1

Cc1cc(C)c2c(n1)sn(CC(=O)NC1CCCC1)c2=O

Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Br)c(C)c1)c2=O

Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|

COc1ccc(Nc2cc(C)c3c(cccc3=O)[nH]2)cc1

C(Oc1ccccc1)c1nnc2SCC(=Nn12)c1ccccc1 |c:15|

FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|

Clc1ccc2nc(cn2c1)-c1ccc2OCOc2c1

Cn1c(n[nH]c1=S)-c1sccc1OCc1cccc(c1)C(F)(F)F

Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1

Cc1ccsc1C=NNC(=O)CC(=O)NCc1ccccc1 |w:7.8|

CC(=O)OCC1(C)CN(NC1=O)c1ccccc1

[O-]c1[nH]c(=O)n(-c2ccccc2)c(=O)c1[CH+]c1ccc(s1)[N+]([O-])=O

Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(Cl)c1C)c2=O

Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O

COc1c(O)c(O)c2oc(cc(=O)c2c1OC)-c1ccccc1

CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12

Cc1ccc(\C=C\C(=O)NCC2COc3ccccc3O2)o1

[#6]-c1c(\[#7]=[#6]-2\[#6]=[#6](Br)-[#6](=O)-[#6](Br)=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:11,t:5|

ClCC(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O

CN(C)c1ccc(\C=C\c2ccc3c(ccc4ccccc34)[n+]2-c2ccccc2)cc1

Cc1ccc(cc1)C(=O)\C=C\C(=O)c1ccc(C)cc1

Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1

COc1ccc(cc1)C(=O)\C=C1/Sc2ccccc2N1C

O=c1n(sc2ccccc12)-c1nccs1

CCN(CC)C(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1

Cc1nn(c(Cl)c1CN=Nc1nc(C)cc(=O)[nH]1)-c1ccccc1 |w:9.10|

Clc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=S)NCCN3CCOCC3)c2)cc1

CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O

CCc1nnc(NC(=O)c2ccc(Cl)nc2)s1

COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2ccc(OC)c(OC)c2)c(OC)c1 |c:9|

Cc1nc(COC(=O)c2cc(O)c3ccccc3c2O)cs1

Cc1nc2ccc(Nc3nc4cc(ccc4o3)S(=O)(=O)N3CCOCC3)cc2s1

COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(O)c2o1

Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|

CC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]C1=C(C(=O)c2ccccc2C1=O)n1cc[n+](c1)-c1ccccn1 |t:15|

Cc1n[o+]n([O-])c1COc1cccc(CN=Nc2nncn2N)c1 |w:15.15|

COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C

COc1cc(CN=Nc2nncn2N)ccc1OCc1c(C)n[o+]n1[O-] |w:6.5|

OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O

COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|

CCC1(C)CC(CCO1)C(N)=S

CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)c1cnccn1

COc1ccc(CCn2c(N=NC(C)C)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |w:10.9|

COc1ccc(CCn2c(NN=C3CCCC3)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |(13.94,6.14,;12.44,5.82,;11.96,4.36,;12.99,3.21,;12.51,1.75,;11,1.43,;10.52,-.04,;9.02,-.35,;8.54,-1.82,;9.44,-3.06,;10.98,-3.06,;11.75,-4.39,;13.29,-4.39,;14.19,-5.64,;15.66,-5.16,;15.66,-3.62,;14.19,-3.14,;8.54,-4.3,;7.08,-3.83,;5.75,-4.6,;5.75,-6.14,;4.41,-3.83,;3.08,-4.6,;4.41,-2.29,;5.75,-1.52,;5.75,.02,;7.08,-2.29,;9.97,2.57,;10.45,4.04,)|

OCCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1

COc1ccc(CCn2c(NN=C3CCCCC3)nc3n(C)c(=O)[nH]c(=O)c23)cc1 |(13.94,6.14,;12.44,5.82,;11.96,4.36,;10.45,4.04,;9.97,2.57,;11,1.43,;10.52,-.04,;9.02,-.35,;8.54,-1.82,;9.44,-3.06,;10.98,-3.06,;11.75,-4.39,;13.29,-4.39,;14.06,-3.06,;15.6,-3.06,;16.37,-4.39,;15.6,-5.72,;14.06,-5.72,;8.54,-4.3,;7.08,-3.83,;5.75,-4.6,;5.75,-6.14,;4.41,-3.83,;3.08,-4.6,;4.41,-2.29,;5.75,-1.52,;5.75,.02,;7.08,-2.29,;12.51,1.75,;12.99,3.21,)|

Cc1cc(O)c(cc1O)-c1cc(O)c(C)cc1O

COc1cc(NCc2ccccc2O)c2ncccc2c1

Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|

COc1cccc2nc3cc(C)c(C)cc3nc12

COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O

Oc1cc(c(O)cc1-n1cccn1)-n1cccn1

COc1ccccc1N1C(=O)C=C(Sc2nc(C)cc(C)n2)C1=O |t:12|

Cc1ccccc1-n1c(n[nH]c1=S)-c1ccc2ccccc2n1 |(3.08,.37,;4.22,1.4,;3.9,2.9,;5.05,3.93,;6.51,3.46,;6.83,1.95,;5.69,.92,;6.01,-.58,;7.42,-1.21,;7.26,-2.74,;5.75,-3.06,;4.98,-1.73,;3.45,-1.57,;8.75,-.44,;8.75,1.1,;10.08,1.87,;11.42,1.1,;12.79,1.92,;14.19,1.13,;14.19,-.47,;12.79,-1.26,;11.42,-.44,;10.08,-1.21,)|

Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O

COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12

COc1cccc(C=NNC(=O)CSc2cccc3cccnc23)c1

Cc1ccc(cc1)S(=O)(=O)Oc1cccc(CN=Nc2ccc(cc2)C(O)=O)c1 |w:18.19|

Oc1ccc2[C@@H]3c4cc(O)c(O)cc4C[C@]3(O)COc2c1O