Compound Name

SMILES String

CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc12

Cc1ccc2c(SCC(=O)NCc3ccco3)nc(nc2c1)-c1ccc(F)cc1

N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)S(=O)(=O)c1ccccc1

NC(CO)C(=O)NNCc1ccc(O)c(O)c1O

CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1

CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12

Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C

Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CC=C

CSc1nnc(-c2ccco2)c(n1)-c1ccco1

CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1

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

COc1ccccc1NC(=O)c1sc2nc(ccc2c1N)-c1ccco1

Nc1c(cc(Cl)c2nonc12)N1CCCC1

Clc1ccc(cc1Cl)N1CN(Cc2ccccc2)CN(C1=O)n1cnnc1

CCc1ccc2nc(NC(=O)c3ccc4c(c3)nc(CN3CCOCC3)[nH]c4=O)sc2c1

O=C(CSc1ncnc2sccc12)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N

CCCCCn1c(N)c(C#N)c2nc3ccccc3nc12

Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(NC(=O)Nc2cccnc2)cc1 |c:6,TLB:1:2:4:7.6,THB:9:8:4:7.6|

O=C(N1CCN(CC1)c1ncccn1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1

CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12

Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1

Cn1c2ccccc2c(=O)n2c1cc1ccccc1c2=O

Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)no1

Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N

Cc1ccc(C)c(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)ccc2C)c1

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

Cc1ccc(cc1NC(=O)c1ccc2OCOc2c1)-c1nc2ccccc2o1

Clc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)cc1

O=C(Nc1nnc(o1)-c1ccccc1)c1nc2ccccc2s1

Cc1ccsc1C=Nc1ccc(O)cc1 |w:7.8|

COc1cc(O)c(NC(C)=O)c2nonc12

Oc1ccccc1NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1

CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC

[H]C12OC(C=C1)(C(CC=C)Nc1ccccc1)C(C(=O)OC)=C2C(=O)OC |c:4,23,TLB:23:22:2:4.5,THB:18:17:2:4.5|

Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1

Cc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)NCc1ccco1

Oc1c(C(c2ccccc2)c2c(O)c3ccccc3sc2=O)c(=O)sc2ccccc12

CC1CCN(CC1)S(=O)(=O)c1ccc2n(CC(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1

Oc1c2CC=C(Cl)Cc2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 |t:4|

CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(CC)cc1

Cc1cccc(C)c1OCC(=O)NNC1=c2cc(Br)ccc2=NC1=O |c:15,23|

Cn1c(nc2c1c1ccccc1c1ccccc21)-c1ccc(C=O)s1

CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|

CCOc1cc(C=NN=C(N)c2nonc2N)cc(Br)c1OCc1cccc2ccccc12 |w:7.7,9.9|

Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1

CCCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1

CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3cccc(C(O)=O)c3C)C2=O)cc1C

Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1

Fc1ccccc1CSc1ccccc1-c1nnc(NC(=O)Nc2ccccc2F)s1

COc1cccc(NC(=O)Nc2nnc(s2)-c2ccccc2SCc2ccccc2)c1

Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1

CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1

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

Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|

O=c1c(C#N)c2ccccn2c2cnc(NCc3ccccc3)nc12

COc1ccc(cc1)-c1nnc(SCC(=O)Nc2cc(C)on2)[nH]1

Oc1ccc2oc(=O)c(cc2c1)-c1nn(cc1C=O)-c1ccccc1

CCOc1ccc(NC=C2C(C)=C(C#N)C(=O)N(CCc3ccccc3)C2=O)cc1 |w:8.7,t:11|

O=C(Nc1ccc2oc(nc2c1)-c1cccc2ccccc12)c1nnc[nH]1

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

Clc1nc(Nc2ccccc2)sc1C=NNC(=O)COc1ccccc1-c1ccccc1 |w:14.16|

COc1ccc(cc1)-n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1

CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3ccc(Br)cc3)nc2N)cc1

Cc1ccc(O)c(NC(=O)c2cc3nc-4c(CCc5ccccc-45)c(n3n2)C(F)(F)F)c1

Fc1ccccc1NC(=O)Nc1nnc(s1)-c1ccccc1SCc1ccccc1

Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccc(Br)cc1

N=C1N2N=CSC2=NC(=O)\C1=C\c1ccc(SCc2ccco2)o1 |c:3,7|

[O-][N+](=O)c1ccc(N2CCCCCC2)c([CH+][N-]NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c1

CCCCCCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1cccc(c1)[N+]([O-])=O |w:19.19|

Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NNC(=O)COc1ccccc1

Cc1ccc2oc(nc2c1)-c1ccc(C)c(NC(=O)Cc2cccs2)c1

Cc1ccccc1NC(=O)c1ccc(N=NCc2ccccc2O)c(c1)[N+]([O-])=O |w:14.14|

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

Clc1c(sc2ccccc12)C(=O)NNC(=O)Nc1ccc(Cl)cc1

CC(=O)Nc1ccc(NC(=O)Cn2c(SCC(=O)Nc3c(C)cccc3C)ncc2-c2ccc(F)cc2)cc1

CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2n2ccccc12 |w:15.14|

COc1ccc(cc1)-n1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(cs1)-c1ccccc1

Cc1ccc2nsnc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl

Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1cccc2nsnc12

COc1cc(cc(OC)c1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O

Brc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc2nsnc12

CC1=NC(Nc2nc3ccccc3o2)=NC(C1C(=O)Nc1ccccc1)c1ccc(C)cc1 |c:15,t:1|

Clc1ccc(cc1NC(=S)NC(=O)C=Cc1ccco1)-c1nc2ccccc2s1 |w:13.13|

Oc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1-c1nc2ccccc2s1 |w:11.10|

Cn1cccc1C=NNC(=O)c1sc2cc(Cl)ccc2c1Cl |w:6.6|

Oc1nc(N=NC=CCc2ccccc2)sc1CC(=O)Nc1ccc(Cl)c(Cl)c1 |w:6.5,4.3|

Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1

CCCCOc1ccc(C=CC(=O)Nc2ccc(cc2)C(N)=O)cc1 |w:9.8|

COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|

Cc1ccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3cc4ccccc4cc3O)c3ccccc23)cc1

Cc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12

COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC

Oc1ccccc1C(=O)N\N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccccc12

Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12

Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccccc2)C1=O

COC(=O)c1nc2[N-]C(C)=C(C(c3ccc(cc3)[N+]([O-])=O)n2[nH+]1)C(=O)Nc1ccc(Cl)cc1 |c:9|

Clc1ccc(Cn2cccc2C=C2C(=O)N=C3SC=CN3C2=N)cc1 |w:11.11,c:19,t:16|

COc1ccc(OC)c(C=C2SC(NNC(=O)c3ccc4ccccc4c3)=NC2=O)c1 |w:9.8,c:28|

Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 |w:10.10|

COc1cc2c(nc3n(nc(C)c3c2cc1OC)-c1ccccc1)-c1ccc(O)cc1

Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O

Cc1cccc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1C

COc1cc([CH+]c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Cl)cc1

Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cccc(O)c1

Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12

CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2ccccc2c1

CN(C)S(=O)(=O)c1cccc(c1)-c1nn(cc1C=C1SC(S)=NC1=O)-c1ccccc1 |w:17.18,c:23|

COc1ccccc1-n1cnc2n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc3c2c1=O

[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCCC1

CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O

CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OCC(O)CNC(CO)(CO)CO)cc12

Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|

Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1

Clc1ccc(OCCn2cccc2\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1

[O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

[O-][N+](=O)C1=CC(\C=N\n2c(COc3ccccc3)nc3ccccc3c2=O)C(=O)C=C1 |c:32,t:3|

COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O

O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1

CC(C)c1ccc(cc1)N1C(=O)Cc2c1nc1[nH]c(C)nc3nc(N4CCCCC4)c(C#N)c2c13

Brc1ccc(cc1)C(=O)Nc1ccc2nc3ccccc3nc2c1

Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1nc(cs1)-c1ccccc1

CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8|

COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|

Cc1ccc(cc1)S(=O)(=O)n1ccc(OC(=O)c2cccs2)n1

OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|

COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1

COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1

Oc1c2C(N=C(C3C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)cc1Cl)c1ccccn1 |t:4,(14.45,.48,;12.91,.49,;12.01,1.73,;12.01,3.27,;10.55,3.74,;9.64,2.5,;8.1,2.5,;7.2,1.26,;7.68,-.21,;5.75,1.73,;4.41,.96,;3.08,1.73,;3.08,3.27,;4.41,4.04,;5.75,3.27,;7.2,3.74,;7.68,5.2,;10.55,1.25,;10.55,-.28,;9.31,-1.19,;12.01,-.75,;12.49,-2.22,;13.99,-2.54,;14.47,-4,;13.44,-5.14,;13.91,-6.61,;11.93,-4.82,;11.45,-3.36,;9.95,-3.04,;13.26,4.17,;14.67,3.55,;15.91,4.45,;15.75,5.98,;14.34,6.61,;13.1,5.7,)|

Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)s1

[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1

COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)CCCC(O)=O |t:9|

NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

COc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12

Oc1ccccc1C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|

COc1cc(C=c2c(=C)[nH]n(-c3ccc(cc3)S(N)(=O)=O)c2=O)ccc1OC(=O)c1ccco1 |w:5.4|

COc1ccc(C=Cc2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1 |w:7.7|

OC(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)c1cccc(c1)[N+]([O-])=O

CN(C)c1ccc(NC(=O)COC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1

Oc1ccc2occ(C=C3SC(=S)N(C3=O)c3ccccc3)c(=O)c2c1 |w:8.7|

Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2C)C(O)=O)C1=O

Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:8|

NC(=S)n1[n-]c(c(N=[NH+]c2cccc(Cl)c2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|

CCc1ccc(cc1)S(=O)(=O)N=C1C=CC(=O)c2ccccc12 |w:11.11,c:14|

CC(=NNC(=O)CNc1cccc2ccccc12)c1ccccc1 |w:2.2|

Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc2oc(=O)ccc2c1

Clc1ccc(cc1)-c1n[nH]cc1C=NNC(=O)c1cccs1 |w:12.13|

Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccncc1 |w:10.11|

Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(cc1)C(O)=O)c1c(C)[nH][nH]c1=O

OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|

N=C1S\C(=C/c2ccco2)C(=O)N1c1ccc2OCOc2c1

Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1

[#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O

COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|

OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1cccc(c1)[N+]([O-])=O)Sc1ccccc1[N+]([O-])=O

[O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccc(Cl)cc1

Cc1c(cn2c3ccccc3nc2c1C#N)C(=O)Nc1ccc(F)cc1

Cc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1ccccc1O |w:4.3,(1.85,-5.68,;1.85,-7.22,;3.1,-8.12,;2.62,-9.59,;3.52,-10.84,;5.06,-10.67,;5.83,-9.34,;5.2,-7.93,;7.33,-9.66,;7.49,-11.19,;6.09,-11.82,;5.77,-13.32,;8.83,-11.96,;10.16,-11.19,;11.49,-11.96,;11.49,-13.5,;10.16,-14.27,;8.83,-13.5,;1.08,-9.59,;.17,-10.84,;.6,-8.12,;-.86,-7.65,;-2.01,-8.68,;-3.47,-8.2,;-3.79,-6.7,;-2.65,-5.67,;-1.18,-6.14,;-.04,-5.11,)|

COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12

[O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1

Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|

Cc1cccc2C(=[NH+]Nc3ccc(cc3[N+]([O-])=O)S(=O)(=O)Nc3cccc(Cl)c3)C(=O)[N-]c12 |w:7.7|

[O-][N+](=O)c1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccc(cc2)-c2ccccc2)o1 |w:8.8|

Oc1ccc(NS(=O)(=O)c2cccs2)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl

COc1ccc(C=C(C#N)C(=O)OCC(=O)NCc2ccccc2Cl)cc1 |w:6.5|

Cc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(Cl)c2)o1 |w:5.4|

OC(=O)c1cc(cc(c1)-c1ccc(\C=C(\C#N)c2nc3ccccc3s2)o1)C(O)=O

Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(Cl)c2C)nc1

CCCC(=O)Nc1ccc2oc(nc2c1)-c1cncc(Br)c1

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)o1

Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1

COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c(C)s2)-c2ccccc2)[nH]c(=O)c1C#N

[O-][N+](=O)c1ccc2nc(CCCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1

Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(O)c(c3)[N+]([O-])=O)C2=O)cc1C

Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1

[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1

Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(cc1)C(O)=O |w:5.4|

CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|

[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1

COc1ccc(NC2=NC(=O)C(S2)=Cc2ccco2)cc1 |w:13.14,t:7|

COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)N2CCN(CC2)C(=O)c2ccco2)n1

CC(C)OCCCNC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(C)on1)n(Cc1ccco1)c2=O

COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|

CN(C)c1cc(N=NCc2ccc(Cl)cc2)nc(n1)N(C)C |w:6.5|

COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|

CCC=c1[nH]n(-c2ccccc2)c(=O)c1=Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1 |w:2.1,15.17|

CCOc1ccc(cc1)-n1c(N)c2c(C)nnc2nc1SCC(=O)Nc1ccc(CC)cc1

Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O

OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O

COC(=O)c1cccc(c1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O

Cc1cc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(cc1C)[N+]([O-])=O

Clc1ccc(Cl)c(c1)-c1ccc(C=C2C(=O)NC(=O)NC2=O)[nH]1 |(3.08,4.19,;4.61,4.35,;5.24,5.76,;6.77,5.92,;7.67,4.68,;9.21,4.84,;7.05,3.27,;5.52,3.11,;7.95,2.02,;9.49,2.02,;9.97,.56,;8.72,-.35,;8.72,-1.89,;10.06,-2.66,;10.06,-4.2,;8.72,-4.97,;11.39,-4.97,;12.72,-4.2,;14.06,-4.97,;12.72,-2.66,;11.39,-1.89,;11.39,-.35,;7.48,.56,)|

NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|

Cc1ccc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(c1)[N+]([O-])=O

Nc1n(-c2ccc(Br)cc2)c(SCC(=O)c2ccc(Br)cc2)nc2nncc12

COc1cc(OC)c(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br |w:9.9|

CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:12.12,t:9|

CCOc1cc(ccc1O)C1N(C(=O)c2oc3ccccc3c(=O)c12)c1nccs1

COc1cc(ccc1O)C1N(C(=O)c2oc3ccccc3c(=O)c12)c1nccs1

OC(=O)CN1C(=S)S\C(=C/c2ccc(SCc3ccccc3)o2)C1=O

CC1=C(C#N)C(=O)NC(=O)\C1=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |c:1|

COc1cc(c[c-](\C=[NH+]\NC(=O)CC#N)c1=O)[N+]([O-])=O

OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O

[O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1 |w:9.9|

O=C1N=C(Nc2ccc3ccccc3c2)SC1=Cc1ccco1 |w:17.20,t:2|

OC(=O)c1ccc(cc1)-n1[nH]c(=C)c(=Cc2ccc(OC(=O)c3cccs3)cc2)c1=O |w:14.15|

Cn1c2ccccc2c2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c12

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

COc1ccc(Cc2n[nH]c(=S)n2NC(=O)Nc2ccc(C)cc2)cc1

COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1

CCOC(=O)c1c(C)oc2c1c(C=NCCC(O)=O)c(O)c1ccccc21 |w:13.14|

CC(=O)c1sc2nc(CSc3nnnn3-c3ccccc3)[nH]c(=O)c2c1C

OC(=O)c1c(NC(=O)\C=C\c2cccs2)scc1-c1ccccc1

COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(-c3c4[C@H](O)[C@H](C)OCc4c(O)c4c(OC)cc(OC)cc34)c2c1 |wD:15.15,21.22,13.13,23.24,(15.09,3.2,;14.09,2.03,;12.58,2.3,;12.03,3.81,;10.45,4.07,;9.9,5.51,;10.88,6.7,;9.44,2.83,;7.92,3.1,;7.39,4.54,;6.93,1.92,;5.35,2.22,;4.31,1,;4.86,-.51,;3.42,-1.04,;6.44,-.78,;6.99,-2.22,;7.46,.47,;8.97,.2,;9.5,-1.25,;10.83,-2.02,;12.21,-1.19,;12.19,.35,;13.61,-1.98,;14.94,-1.21,;13.61,-3.59,;12.21,-4.38,;10.83,-3.56,;9.5,-4.33,;9.5,-5.87,;8.17,-3.56,;6.79,-4.38,;6.81,-5.92,;5.48,-6.7,;5.39,-3.59,;5.39,-1.98,;3.85,-1.98,;3.08,-3.31,;6.79,-1.19,;8.17,-2.02,;9.96,1.38,;11.54,1.08,)|

Clc1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccc(o1)-c1ccccc1Br |w:13.14|

CCCN(C(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O

Cc1cc(OC(C(O)=O)c2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1

C[C+]([N-]OCc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(C)cc([N+]([O-])=O)c1=O)c1ccccc1

Cc1ccccc1-n1c(O)c(C=NNC(=O)c2ccccc2O)c(=O)[nH]c1=S |w:12.13,(8.41,-4.71,;9.75,-5.48,;9.75,-7.02,;11.08,-7.79,;12.42,-7.02,;12.42,-5.48,;11.08,-4.71,;11.08,-3.17,;9.75,-2.4,;8.41,-3.17,;9.75,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;7.08,3.76,;8.41,4.53,;5.75,4.53,;4.41,3.76,;3.08,4.53,;3.08,6.07,;4.41,6.84,;5.75,6.07,;7.08,6.84,;11.08,-.09,;11.08,1.45,;12.42,-.86,;12.42,-2.4,;13.75,-3.17,)|

O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N1c2ccccc2Sc2ccccc12

O=C1C([N-]S(=O)(=O)c2cccs2)=C(C(=O)c2ccccc12)[n+]1cccc(Cc2ccccc2)c1 |c:12|

[O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)Nc3cccnc3)c2c1 |w:11.11|

CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1

OC(=O)c1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1

CCCCn1c2nc(-c3ccc(o3)-c3ccc(F)cc3)n(C)c2c(=O)[nH]c1=O

ClCCN(CCCl)S(=O)(=O)c1ccc(cc1)C(=O)C(C#N)c1nc2ccccc2[nH]1

CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|

Cc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)c2ccco2)c(C)n1Cc1ccccc1 |c:11,t:8|

Clc1ccc(cc1)-c1n[nH]c(=S)n1N=CC=Cc1ccco1 |w:13.14,15.16|

OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

CCCCCCCn1c(NC(=O)CC)nc2ccccc12

CN(C)c1cc(Cl)c2nonc2c1N

C\C(\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O)=C/c1ccccc1

OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|

Nc1cccc2c(cccc12)[As](O)(O)=O

O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1

Nc1cccc2ccc(cc12)[As](O)(O)=O

CCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc12

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|

[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3ccccc3Cl)c2c1

Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1

Oc1[nH]c2ccc(cc2c1C(=O)C(=O)Nc1ccc(F)cc1)[N+]([O-])=O

Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1 |w:9.10|

Brc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)s1 |w:6.6|

[O-][N+](=O)c1ccccc1[CH+]C=C[N-]n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1 |w:11.12|

Clc1cccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)c1 |w:7.7|

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn3ccc4ccccc4c3n2)o1

Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C |w:7.6|

CC(=O)c1ccc(cc1)-c1ccc(C=C(Sc2nnc(C)[nH]2)C(O)=O)o1 |w:13.13|

OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1 |w:14.14|

Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(C)c(Cl)c1 |w:10.11|

Oc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:12.13,14.15,t:6|

COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O

COc1cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

COc1cc(NC(=O)c2cnc(N)s2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

COc1ccccc1\C=C\C=c1sc2nc(=O)c(Cc3ccccc3)nn2c1=O

Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O |w:11.11|

[O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=S)Nc2ccc(Cl)cc2Cl)c1 |w:10.10|

C[C+]([N-]OCc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccccc1

Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O

Clc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 |w:13.15|

Nc1c(oc2nc(cc(-c3ccco3)c12)-c1ccco1)C(=O)NN=Cc1cccnc1 |w:24.28|

OC1(NC(=O)Cc2ccccc2Cl)C(=O)c2ccccc2C1=O

CCCCCCC#Cc1cncc(c1)C(=O)NNC(=O)Nc1cc(Cl)cc(Cl)c1

CCC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccccc1C(O)=O)c2C#N

COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1

Cc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1

Clc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1ccncc1)-c1ccccc1 |w:13.15|

NC(=O)CC(NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCC(Br)CC2)c(c1)[N+]([O-])=O

NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCC2)c(c1)[N+]([O-])=O

NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccccc2F)c(c1)[N+]([O-])=O

NC(=O)CC(NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccccc2F)c(c1)[N+]([O-])=O

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1

COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12

COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1O

NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|

[O-][N+](=O)c1ccc[c-](\C=[NH+]\c2cccc3ccccc23)c1=O

COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1

CCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O

COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1OCC=C |w:5.4,c:16|

COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1

O=C1NC(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1 |(20.38,2.19,;18.87,1.87,;17.84,3.02,;16.34,2.7,;15.31,3.85,;15.86,1.24,;14.35,.92,;13.87,-.54,;14.77,-1.78,;13.87,-3.02,;12.42,-2.55,;11.08,-3.32,;9.75,-2.55,;9.75,-1.01,;8.41,-.24,;7.08,-1.01,;5.75,-.24,;5.75,1.3,;4.41,2.07,;3.08,1.3,;3.08,-.24,;4.41,-1.01,;11.08,-.24,;12.42,-1.01,;16.89,.09,;16.41,-1.37,;18.39,.41,)|

CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCCCCCC(O)=O)c12

CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc12

CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(F)cc12

OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O

OC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1cccs1

Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12

CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|

c1coc(c1)-c1nnc(nn1)-c1ccco1

O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|

Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1 |w:18.18|

COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1

Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccc(N)cc2[nH]1

Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O

CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(nc3ccccc23)-c2cc(OC)c(OC)c(OC)c2)c1

COc1cccc(\C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)c1

COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCC(C)CC4)c3=O)c2c1 |(3.08,-.77,;4.59,-1.08,;5.61,.06,;5.12,1.59,;6.2,2.77,;7.76,2.42,;9.01,3.32,;10.26,2.42,;9.78,.95,;10.83,-.26,;12.41,.06,;13.43,-1.08,;12.9,1.59,;14.41,1.92,;15.44,.77,;16.95,1.1,;17.98,-.04,;17.51,-1.51,;19.49,.29,;20.52,-.85,;22.03,-.53,;23.06,-1.67,;22.59,-3.14,;23.63,-4.28,;21.09,-3.46,;20.05,-2.32,;11.82,2.77,;12.28,4.24,;8.24,.95,;7.19,-.26,)|

Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N

CCc1nn(CC(=O)NC(C)CCc2ccccc2)c(=O)c2cc3cc(F)ccc3n12

COc1ccc(cc1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)Nc2cccc(O)c2)n1

COc1ccccc1NC(=O)c1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C

CCN(CC)c1ccc(NC(=O)CSc2nc(nc3ccccc23)C2CC2)cc1C

Cc1ccc(NC(=O)Cn2nc(ccc2=O)C(=O)Nc2ccc(C)cc2)cc1

Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N

Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O

CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O

CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|

Cc1ccc(NC(=O)COc2ccc(\C=C3\NC(=O)NC3=O)cc2)cc1

CCc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1

Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1

COc1ccc(NC(=O)CN2C(=O)S\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1

CCc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1

CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12

Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O

CCOc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1

COc1ccc(C)c2sc(NC(=O)c3cccc(c3)-n3c(O)ccc3O)nc12

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCO\N=C\c1cnc(O)c(C#N)c1Nc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCO\N=C\c1c(C)nn(C)c1N1CCOCC1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|