511 SMILES Strings for Solute carrier family 12 member 5

Compound Name
SMILES String
OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
CN1C(=O)NC(c2ccsc2)C(C(=O)OCCOc2ccccc2)=C1C |c:25|
Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C
Oc1ccccc1C(=O)OC1CCc2ccccc2C1=O
Cc1nonc1NC(=O)CSc1ccc(nn1)-c1ccccc1
Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1
COc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)n[nH]c1C
Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F
Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCN(CC1)c1ccccc1F
Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15|
Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)S(=O)(=O)NCc1ccccc1
[O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2ccccc2Cl)n1
CC(=NNC(=O)c1ccc2OCOc2c1)c1ccc(Br)s1 |w:2.2|
CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1
O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1
[O-][N+](=O)c1ccc(cc1)-c1cn(-c2ccccc2F)c(=S)[nH]1
Fc1cccc(F)c1C=NNC(=S)Nc1cccnc1 |w:9.10|
CC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1
Oc1ccccc1CN=Nc1nc2ccccc2o1 |w:9.10|
COc1ccccc1N1CCN(CC1)C(=S)NC(=O)\C=C\c1ccccc1
S=c1nc(cc[nH]1)-c1ccc2OCCc2c1
CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1
COc1ccc(Cn2c3ccccc3[nH]c2=S)cc1
Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1
Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
Cc1ccc(Nc2nnc(SCC(=O)c3cc4ccccc4o3)s2)cc1C
CCCn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O
Fc1ccc(cc1)-c1csc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Cc1nc(CC(=O)Nc2nc(cs2)-c2ccccc2)cs1
OC(=O)CCn1c(SCc2cccc3ccccc23)nc2ccccc12
Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1
O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1CCCCC1
Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
Fc1ccccc1CCNS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Fc1ccccc1N1CCN(CC1)C(=O)Cn1nnc2n(ncc2c1=O)-c1ccccc1
O=S1(=O)N=C(N2CCN(Cc3ccccc3)CC2)c2ccccc12 |t:3|
CC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1
COc1ccc(cc1)C(=O)CSc1nnnn1Cc1ccccc1
COc1ccc(OC)c(c1)-n1nnnc1SCC(=O)NCCc1ccccc1
Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1 |w:12.12|
Sc1nnc(COc2ccc(Cl)cc2)o1
COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc12
CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2cc(C)ccc12
CCn1nnnc1SCC(=O)Nc1nc(cs1)-c1cccs1
O=S(=O)(NC1CCCC1)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
Fc1ccccc1N1CCN(CC1)C(=O)Cn1c(noc1=O)-c1ccc(Cl)cc1
CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1
COc1ccc(cc1)C(=O)N1CCCC(C1)c1ccccc1
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1
COc1ccccc1-c1nc(C#N)c(o1)N1CCC(Cc2ccccc2)CC1
C(Nc1ccc2n(cnc2c1)-c1ccccc1)c1ccncc1
CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(o2)-c2ccccc2Br)C1=O
O=C(NCCc1c[nH]c2ccccc12)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
CC1Cc2ccccc2N1C(=O)COC(=O)CCOc1ccc(C)cc1
Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|
Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
CCC(N(C)C)c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1
O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
Fc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCN(CC2)c2ccccc2)c3=O)cc1
O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nonc12)N1CCC(Cc2ccccc2)CC1
O=C(N1CCC2(CC1)OCCO2)c1cc2COc3ccccc3-c2s1
Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
CCOc1ccccc1CNC(=O)C1CCN(CC1)c1nc2ccccc2o1
O=C(Cn1nc(ccc1=O)-c1ccccc1)NCc1ccc2OCOc2c1
Fc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccc4OCOc4c2)c3=O)cc1
O=C(CC(C(=O)N1CCc2ccccc12)n1ccnc1)N1CCc2ccccc2C1
Cc1noc(\C=C\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
O=C(CCCn1ncn2c3ccoc3cc2c1=O)N1CCc2ccccc2C1
O=C(C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc2C1
CCn1c2ccc(cc2n(CC)c1=O)S(=O)(=O)N1CCC(CC1)c1ccccc1
CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1
O=C(CSc1nccn1CCc1ccccc1)Nc1ccccc1C#N
N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1cccs1
O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(n1)-c1ccccc1
Cc1ccc(cc1)-c1noc(CN2CCN(Cc3ccccc3)CC2)n1
Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1
Fc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCCc4ccccc24)c3=O)cc1
Clc1ccc(cc1)C(=O)Cn1cnc2n(Cc3ccccc3)nnc2c1=O
O=C(Cn1cnc2n(Cc3ccccc3)nnc2c1=O)N1CCCc2ccccc12
CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O |w:21.22|
[O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2CCCCc2s1
Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1
Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
Cc1cccc(N2CCN(CC2)C(=O)CCCn2c(=S)[nH]c3cc4OCOc4cc3c2=O)c1C
COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c1cccc(c1)C(F)(F)F)C(C)C
CCOc1ccc2nc(Sc3cc(O)n(c3O)-c3cccc(OC)c3)sc2c1
NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3|
CCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(C)c1
Clc1cccc(C=NNC(=S)NCCc2ccccc2)c1Cl |w:7.7|
Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1
Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1
CC(=C)Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1
CC1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
Cc1cccc(OCCc2nnc(N)s2)c1C
Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
CC(C)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C
Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
Fc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Brc1ccccc1OCc1ccc(o1)C(=O)Nc1cccnc1
Fc1ccccc1N1CCN(CC1)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
Cc1nnc(NC(=O)c2ccc3ccccc3c2)o1
CCOC(=O)c1c(C)[nH]c(N=Nc2ccccc2)c1C |w:10.9|
C(N=Nc1nc(cs1)-c1ccccc1)c1cccnc1 |w:2.2|
CC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 |w:2.2|
Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N
Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1C
COc1cc(C=NN(C)c2ccccc2)ccc1O |w:6.6|
Cn1c(SCc2ccccc2Cl)nc2ccccc12
CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|
Cc1cc(ccc1NCc1ccccc1)[N+]([O-])=O
C(N=Nc1nc(cs1)-c1ccccc1)c1ccco1 |w:2.2|
Clc1ccccc1CNC(=S)Nc1ccccc1Cl
OC(=O)c1cc(ccc1NCc1ccccc1)[N+]([O-])=O
CN(C)CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O
Oc1ccccc1C(=O)NN=Cc1ccccn1 |w:10.10|
Clc1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:13.14|
O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1cc[n+](Cc2ccccc2)cc1 |w:3.2|
CN1C(=S)N\C(=C/c2ccccc2OCc2ccccc2)C1=O
Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc2OCOc2c1
O=C(CSc1ccc(nn1)-c1ccccc1)N1CCCc2ccccc12
COc1cc(cc(OC)c1OC(=O)Cc1ccc(F)cc1)C(=S)N1CCOCC1
Cc1nn(c(C)c1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccc(F)cc1
CC(N1C(=O)C2CC=CCC2C1=O)C(=O)N=c1sc2ccccc2n1C |w:15.16,c:7|
O=c1cc(CSc2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)n12
CN(CC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)S(=O)(=O)c1cccc2nsnc12
Cc1cccc(N2CCN(CC2)C(=O)Cn2ccc3ccccc3c2=O)c1C
Fc1ccc(cc1C(=O)NCCSCc1ccccc1)S(=O)(=O)N1CCOCC1
COc1ccc(cc1)N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)n[nH]c1C
Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccco2)c3=O)cc1
Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
Brc1ccccc1OCc1ccc(o1)C(=O)NCc1cccnc1
O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCc2ccccc2C1
CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1sc2CCCCc2c1C#N
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
CC(CCc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc(NC(C)=O)cc1
CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1)c1cccc(Br)c1
O=C(CSc1nccc(=O)[nH]1)N1CCc2ccccc2C1
CC1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(=O)NCCc1ccccc1 |t:12|
Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)Nc2cccnc2)c1
Sc1nnc(Cc2c[nH]c3ccccc23)o1
Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
CCOc1ccc(Nc2nnc(S)s2)cc1
[O-][N+](=O)c1ccc2n(c(SCC(=O)NC(=O)NCC=C)nc2c1)-c1cccc(c1)C(F)(F)F
Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1ccccn1
COc1ccc(cc1)-c1nc(CS(=O)CC(=O)N2CCc3ccccc3C2)c(C)o1
Cc1oc(nc1CS(=O)(=O)CC(=O)NCc1ccccc1)-c1ccccc1C
Cc1oc(nc1CS(=O)CC(=O)N1CCc2ccccc2C1)-c1cccc(C)c1
Cc1oc(nc1CS(=O)CC(=O)N1CCc2ccccc2C1)-c1ccccc1
Cc1oc(nc1CS(=O)CC(=O)NCc1ccccc1)-c1ccccc1C
O=C(NCCc1csc(n1)-c1ccccc1)c1cccs1
Cn1cc(SCC(=O)N2CCN(CC2)c2ccccc2)c2ccccc12
O=C(Cn1cnc2n(nnc2c1=O)-c1ccccc1)NCCc1ccccc1
C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N
O=C(Nc1ccc2oc(nc2c1)-c1ccccc1)c1ccncc1
CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc(cs1)-c1ccccc1
Sc1nnc(CCc2ccc(Cl)cc2)o1
COc1cc(ccc1OC(=O)Cc1ccc(F)cc1)C(=S)N1CCOCC1
Sc1nnc(Cc2cccc3ccccc23)o1
O=C(NC1CCCC1)C(N(Cc1ccco1)C(=O)c1ccc([nH]1)-c1ccccc1)c1ccncc1
O=C(COc1ccccc1)C(C#N)c1nc2ccccc2s1
CCOC(=O)c1cc2n(ccc2n1CC(=O)NC(C)(C)C)-c1ccc(F)cc1
COc1ccc(cc1)-c1cc(CCCC(=O)NCCc2ccccc2)no1
Cn1cc(C(=O)C(=O)N2CCCc3ccccc23)c2ccccc12
Fc1cccc(F)c1OCc1cc(no1)C(=O)NCCc1cn2ccccc2n1
O=C(C1CCCN(Cc2ccncc2)C1)c1ccc(cc1)-c1ccccc1
O=C(COc1ccc2ccccc2c1)NN=Cc1ccccn1 |w:15.16|
CC(C)Oc1ccccc1OCCCOc1cccc2cccnc12
COCCNS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
S=C(NCc1cccnc1)Nc1ccc(Oc2ccccc2)cc1
Fc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)-c1nc2ncccc2o1
Cc1ccc(CSCCNC(=O)c2ccc(C)cc2)cc1
Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(F)cc1)c1c(C)[nH][nH]c1=O
Sc1nnc(CNc2cccc(Cl)c2)o1
CSc1ccccc1NC(=S)Nc1ccc(cc1)S(N)(=O)=O
Fc1ccc(CSc2ccccc2C(=O)N2CCOCC2)cc1
S=C(NCCc1ccccc1)NCc1cccs1
[O-][N+](=O)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
COc1ccc(CN(C(C(=O)NC(C)(C)C)c2ccncc2)C(=O)c2ccc([nH]2)-c2ccccc2)cc1
CC(C)c1onc(C(=O)NCCc2ccccc2)c1[N+]([O-])=O
Clc1ccccc1OCc1ccc(o1)C(=O)OCc1ccccn1
Cc1ccc(cc1)S(=O)(=O)N1CCN(C(COCc2ccccc2)Cc2ccccc2)C(=O)CC1
COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c1cccc(OC)c1)C(C)C
Cc1cc(C)c(C#N)c(n1)N1CCN(Cc2ccccc2)CC1
Cc1ccc(cc1)C(=O)Nc1nc(=O)n(s1)C(=O)c1ccccc1Cl
Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1
COc1ccc(cc1Cl)S(=O)(=O)N(CCc1ccccc1)CC(O)=O
COc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1
Cc1ccc(cc1)C(=O)CC=Nc1ccccc1C(N)=O |w:11.12|
COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
CCC(Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
O=C(CN(c1ccc2OCCOc2c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1
COc1ccccc1C(=O)NC1CCN(CC1)C(=S)NCCc1ccccc1
CCc1cc(no1)C(=O)N1CCCC(CNC(=O)c2ccc(cc2)-c2ccccc2)C1
O=C(NCC1CCCN(C1)C(=O)c1cccnc1)c1ccc(cc1)-c1ccccc1
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCC(CNC(C)=O)C1
O=C(NCc1nc(cs1)-c1ccccc1)c1ccccc1
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCC(CN2CCCC2=O)C1
CN(Cc1ccc(C)o1)C(=O)c1cc(COc2ccc(F)cc2Cl)on1
CSCCC(=O)N1CCCC(CNC(=O)c2ccc(cc2)-c2ccccc2)C1
CC(=O)NCCC(=O)N1CCCC(CNC(=O)c2ccc(cc2)-c2ccccc2)C1
CC(NC(=O)CCc1nnc(o1)-c1ccc(cc1)-c1ccccc1)c1nccs1
Fc1cccc(F)c1OCc1cc(no1)C(=O)NCCCn1ncc2ccccc12
CC(C)C(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O
Oc1cc2ccccc2cc1Nc1c([N+]([O-])=O)c(=O)oc2ccccc12
[O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)n1
Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
Clc1ccc(OCc2ccc(o2)C(=O)NCc2cccnc2)c(Cl)c1
Sc1nnc(o1)C1(CCCC1)c1ccccc1
Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1
CSc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1
Oc1c(C=NNC(=O)Cn2nc3ccccc3n2)cc(Cl)cc1[N+]([O-])=O |w:4.4|
CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Cc1ccc(cc1)C1=CSC2=NNC3(CCCCC3)NN12 |t:8,11|
CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(=O)NC(=S)N1CCCC1 |TLB:13:10:2:6.8.5,13:10:8:3.2.5,7:6:2:10.11.12,12:10:8:3.2.5,THB:12:3:8:10.11.9,9:10:2:6.8.5,4:3:8:10.11.9|
Fc1cccc(F)c1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1
CC(C)c1ccc(C=NNC(=O)c2ccccc2Cl)cc1 |w:8.8|
COc1cc(cc(OC)c1OC(=O)Cc1ccccc1)C(=S)N1CCOCC1
O=C(CCSCCc1ccccn1)Nc1ccc(Cc2ccncc2)cc1
CC(C)(C)NC(=O)C(N(Cc1ccco1)C(=O)c1ccc([nH]1)-c1ccccc1)c1ccncc1
CCOc1ccc(cc1)C(CC(O)=O)NC(=O)C(Sc1ccccc1)c1ccccc1
Fc1ccccc1NC(=O)CSc1ccc(nn1)-c1cccs1
Cc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O
[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1ccc(Cc2ccncc2)cc1
Oc1ccc2c(c1)occ(-c1cnn(c1)-c1ccccc1)c2=O
Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccc(Cl)cc2)s1 |w:6.6|
O=C(Cn1c(noc1=O)-c1ccccc1)N1CCC(Cc2ccccc2)CC1
CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1
CN1c2ccccc2Oc2nnc(cc12)N1CCN(Cc2ccccc2)CC1
O=C(C[n+]1ccccc1)c1ccc(cc1)-c1ccccc1
Fc1ccc(cc1C(=O)NCCc1ccccc1)S(=O)(=O)N1CCC2(CC1)OCCO2
Fc1ccc(cc1)-c1csc(NNC(=O)c2ccccc2)n1
Cc1nn(C)c(C)c1C=C1SC(S)=NC1=O |w:8.8,c:13|
Fc1ccccc1CSc1nncn1NC\C=C\c1ccccc1
COc1cccc(CNC(=O)CSc2ccc(nn2)-c2cccs2)c1
[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1
CC(C)N1C(=O)S\C(=C\c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc12
Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1
CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccc(F)cc1)c1ccc(F)c(Cl)c1
Cc1ccc(cc1)S(=O)(=O)N(CCC(O)=O)Cc1ccc(Cl)cc1
[O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccc(Cl)cc1 |w:10.11|
COc1ccc(cc1)-c1cc(CNC(=O)CN(C)Cc2ccccc2)on1
NC(=O)COc1ccccc1\C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O
[O-][N+](=O)c1ccccc1[C+]1CC(O[N-]1)C(=O)NCCCCc1ccccc1
Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccco2)cc1
COc1ccc(OC)c2sc(NNC(=O)COc3ccccc3)nc12
[O-][N+](=O)c1ccc2NC(=O)C(CCN3CCN(Cc4ccccc4)CC3)Oc2c1
Fc1ccccc1-c1nc2cc(NC(=O)c3ccco3)ccc2o1
O=C(NNc1nc(cs1)-c1ccccc1)c1ccccc1
Cc1c(N2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C
COC(=S)Nc1ccsc1C(=O)OC
CNC(=O)C(\NC(=O)c1ccc(cc1)[N+]([O-])=O)=C/C=C/c1ccccc1
CCOc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1
O=C(NNc1nc(cs1)-c1ccccc1)c1cccs1
CSc1sc(c2CCC=Cc12)-c1n[nH]c(=S)n1C |c:8|
CC(C)c1ccc(NC(=S)NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1
[O-][N+](=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
CCC(CC)NC(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
CC(CCc1ccccc1)NC(=O)c1cc(C)ccc1C
CC(C)CCNC(=O)COC(=O)\C=C\c1ccc2ccccc2n1
COc1ccc(cc1)S(=O)(=O)N(CCC(O)=O)Cc1ccccc1
COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1 |w:22.25|
COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1CN1CCOCC1
Clc1ccc(C=NNC(=O)C2COc3ccccc3O2)s1 |w:6.6|
NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
CN1C(CC2Cn3c(nc4cc(Cl)c(Cl)cc34)C12)C(=O)NCc1ccccc1
CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1
Fc1ccc(CSc2nncn2NC\C=C\c2ccccc2)cc1
CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1
Brc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)OCc2ccccc2)cc1
CCCCCN1C\C=C/C(N(Cc2ccc(F)cc2)C(=O)C1)c1ccc(OC)cc1 |c:7|
CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
CN1C(Sc2ccccc12)=CC(=O)C1CCC1 |w:10.12|
Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C(=O)NCc2cccs2)cc1
CC1CCCCN1C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc12 |w:4.3|
[O-][N+](=O)c1cccc(\C=C\C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1
[O-][N+](=O)c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1
CCCn1c(NC(=S)Nc2ccccc2)nc2ccccc12
COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3OCCOc3c2)ccc1O |w:6.6|
O=C(NCC1CCCO1)C(N(C1CCCC1)C(=O)c1ccc([nH]1)-c1ccccc1)c1cccs1
CC(C)(C)NC(=O)C(N(CC1CCCO1)C(=O)c1ccc([nH]1)-c1ccccc1)c1cccs1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccncc2)cc1
[O-][N+](=O)c1cc(ccc1N1CCCCCC1)C(=O)N1CCc2ccccc12
CC1CCN(CC1)C(=O)c1ccc(SCc2ccccc2F)c(c1)[N+]([O-])=O
CC(C)OCCCNC(=O)CN1C(=O)\C(Sc2ccccc12)=C/c1ccc(C)cc1
COc1cccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)c1OC
Brc1ccc(cc1)C(=O)N\C(=C/c1ccccc1)C(=O)NCC(=O)OCc1ccccc1
CCCC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:8,t:3|
Cc1ccc2oc(nc2c1)-c1ccc(C)c(NC(=S)NC(=O)c2cccs2)c1
O=C(CSc1ccc(nn1)-c1ccccc1)Nc1ccc2OCCOc2c1
O=C(CSc1ccc(nn1)-c1ccccc1)c1ccccc1
OCCNc1ccc(cc1C(=O)OCC(=O)c1ccccc1)[N+]([O-])=O
CS\C(NS(=O)(=O)c1cccs1)=N/Cc1ccc(F)cc1
[O-][N+](=O)c1ccc(NCc2ccccc2)c(c1)C(=O)OCC(=O)NC1CCCCC1
[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)OCC(=O)N1CCc2ccccc2C1
COc1cc(cc(OC)c1OC)-c1nnc(CSc2nnc(Nc3ccc(cc3)C(C)C)s2)o1
CN1\C(=C/C(=S)NC(=O)c2cccc(Br)c2)C(C)(C)c2ccccc12
CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1ccc(OCc2ccc(cc2)C(O)=O)c(OC)c1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
COc1ccc(cc1)N1C(=S)N=C(Nc2cccc(C)c2)C11CCCCC1 |t:12|
CNc1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
Cc1ccc(cc1)-c1csc(NC(=O)CCNC(=O)c2ccccc2Cl)n1
COc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c(C)c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSc1ccccc1C(=O)NCc1ccccc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
O=C(CSc1ccccc1C(=O)NCc1ccccc1)NC1CCCCCCC1
Sc1nnc(Nc2ccccc2)s1
CCOc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1F |w:16.18|
Fc1cccc(c1)C(=O)C(C#N)c1nc2ccccc2s1
Oc1c2CCCCc2c(O)n1-c1ccc(NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Cc1cccc(NC2=NN=C(CS2)c2ccccc2F)c1C |c:9,t:7|
CC1Cc2ccccc2N1C(=O)\C=C\c1cccc(F)c1
O=C(\C=C\c1ccco1)N1CCC(Cc2ccccc2)CC1
CC(NC(C)=O)C(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2Cl)N2CCCCC=C2NS3(=O)=O)c1 |c:27|
Cc1ccc(NC(=O)CCCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1
OC(=O)CC\C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1
OC(=O)CC\C(=C/c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
OC(=O)\C=C\c1cn(Cc2ccccc2Cl)nc1-c1ccccc1
Sc1nnc(o1)-c1nn(Cc2ccccc2)c(=O)c2ccccc12
CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1nc2ccccc2[nH]1
OC(=O)CC\C(=C/c1ccc(N2CCCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl
OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
OC(=O)CC\C(=C/c1ccccc1[N+]([O-])=O)c1nc2ccccc2s1
COc1ccc(cc1)-c1nnc(S\C(=C\c2ccc(Cl)cc2)C(O)=O)o1
Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O
Fc1ccc(cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
COc1ccc(NC(=S)NC(N)=Nc2nc(C)c3ccccc3n2)cc1 |w:12.12|
COc1ccccc1NC(=S)NNC1=c2cc(Br)ccc2=NC1=O |c:14,22|
CCCCC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1ccco1
COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)c1nnnn1Cc1cccs1
CC1CCCCN1C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
O=C(Cn1nnc(n1)-c1ccccc1-n1cnnn1)NCc1ccccc1
Cc1nc2cc(ccc2n1C1CCN(Cc2nnnn2Cc2ccc3OCOc3c2)CC1)C(F)(F)F
O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc12
CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1
CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc(O)c(OC)c1
Cc1cccc(OCc2nnc(SCC(=O)c3cccs3)n2C)c1C
Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1ccco1
O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)NC(=O)NC1CCCCC1
O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1
COc1cccc(Nc2nnc(S)s2)c1
CC(C)NC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:8,15|
Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1C
CCc1ccc(cc1)C(=O)COC(=O)c1cc(ccc1NCCO)[N+]([O-])=O
CC(=NNC(=S)Nc1c(C)cccc1C)c1cc2ccccc2o1 |w:2.2|
Fc1ccc(CNC(=O)Cc2csc(n2)-c2ccccc2)cc1
CC(C)(CNC(=S)NCCc1ccccc1)CNC(=S)NCCc1ccccc1
CCc1ccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)cc1
COc1ccc(cc1)-n1cnnc1SCC(=O)Nc1cc(ccc1C)S(=O)(=O)N1CCCCC1
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1
Cc1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Clc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)NCCSCc1ccc(F)cc1
Clc1cccc(NC(=S)NN=Cc2cccc3ccccc23)c1 |w:10.9|
Cc1[nH]c2ccccc2c1Cc1nnc(S)o1
COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(=O)N1CCc2ccccc2C1 |t:12|
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)n1
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1
Cc1nn2c([nH]c(=O)c3ccccc23)c1C=O
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccc(Br)cc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(C1)C(F)(F)OC(F)(F)F |t:1|
Cc1[nH]c2ccccc2c1SCC(=O)N1CCN(CC1)c1ccccc1
Cc1ccc(cc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCOCC1
Clc1ccccc1C(=O)NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
O=C(NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O)c1ccccc1
C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2ccccc2c1
Cc1ccc(C)c(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2ccccc2)c1
O=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1
Oc1c2Sc3[nH]c(=O)sc3C(c2c(O)n1-c1ccccc1)c1ccccc1
Cc1ccc(cc1)-c1nn(Cc2ccccc2)cc1\C=C\C(O)=O
Cc1cc2ccccn2c1C(=O)c1nc(ncc1Cl)N1CCOCC1
CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
COc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
Cc1nn(c(C)c1NS(=O)(=O)c1ccc2ccccc2c1)-c1ccc(F)cc1
CCn1nc(c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O)[N+]([O-])=O
Cc1ccc(cc1)-c1ccc(C=NNC(N)=S)o1 |w:12.13|
COn1c(SC2CCCCC2)nc2ccccc2c1=O
Cc1nc(nc2CCCC(=O)c12)N1CCN(Cc2ccccc2)CC1
CCc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2cccnc2)c(C)o1
Brc1c(OCC(=O)Nn2cnnc2)ccc2ccccc12
Fc1ccc(CNc2oc(COc3ccccc3F)nc2C#N)cc1
COc1cccc(c1)C1N(CCCN2CCOCC2)C(=O)c2oc3ccc(F)cc3c(=O)c12
Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccccc1C
CC(C)c1ccc(NC(=O)c2cnn(c2NC(=O)c2ccco2)-c2ccccc2)cc1
O=C(CSC1=NCCS1)Nc1nc(cs1)-c1ccccc1 |t:4|
NC1=NC(SCc2ccccc2)=C(C#N)C2(CCCCC2)C1C#N |t:1,12|
CC(C)CC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1cccs1
Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(Cl)c(Cl)c1)c1c(C)[nH][nH]c1=O
COc1ccc(cc1)-c1nnc(o1)-c1ccc(OCC(C)C)cc1
CC(C)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
N#C\C(=C/c1cn(nc1-c1cccnc1)-c1ccccc1)c1nnc2CCCCCn12
CCOC(=S)N=C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 |w:5.4|
Cc1cccc(NC(=S)NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)c1C |w:10.9|
Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1
Brc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
Clc1ccc2sc(SCC(=O)Nc3cccc(c3)S(=O)(=O)N3CCOCC3)nc2c1
Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1cccnc1)c1ccccc1)C(=O)Nc1ccc2ccccc2c1
CCc1ccc(cc1)-n1c(SCC(=O)c2ccc3OCC(=O)Nc3c2)nc2ccccc2c1=O
Fc1cccc(c1)C(=O)Nc1ccn(Cc2ccccc2)n1
CCOc1ccc(cc1)C(N(CCCO)C(=O)c1ccc([nH]1)-c1ccccc1)C(=O)NC1CCCC1
COc1ccc(cc1)N(CC=C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCC(=O)NC1CC1
OC(=O)c1c(NC(=O)\C=C\c2cccs2)scc1-c1ccccc1
S=c1ccc2ccccc2[nH]1
COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1O
FC(F)(F)c1ccccc1C1=NOC(C1)C(=O)NCCCCc1ccccc1 |t:11|
CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(C)o2)c1 |w:15.14|
[H]C12C[C@H](NC(=S)NN=Cc3cc(Br)cc(Br)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
Fc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc3OCOc3c2)n1
Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
O=C(CSc1nnc(CNc2ccccc2)o1)c1ccc2OCCOc2c1
C(Nc1nc2nonc2nc1NCc1ccco1)c1ccco1
CC(N(Cc1ccco1)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(=O)NC(C)(C)C
Clc1ccccc1NC(=S)Nc1ccccn1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1csc(NC(=O)C(=O)NC)n1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
Cc1ccc(cc1)N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccc(F)cc1
CN(C)\C=C\c1onc(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r|
OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(CCc1ccccc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(CC1CCCCC1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccncc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccsc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(C)cc1)C(=O)OCc1ccccc1
COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1
CC(=O)N1CCCC1(Cc1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(F)cc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(cc1)C#N)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1cccc(c1)C#N)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccccc1C#N)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1cccc(c1)S(C)(=O)=O)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1cccc(c1)C(F)(F)F)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)OCc1ccccc1
COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1C(F)(F)F
CC(=O)N1CCCC1(Cc1ccc(F)cc1C(F)(F)F)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1
CCN1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
CS(=O)(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
COC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
CCNC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
CCC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
O=C(C1CC1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)C1(Cc2ccccc2)CCCN1C(=O)c1ccccc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)NCc1ccccc1
CN(Cc1ccccc1)C(=O)C1(Cc2ccccc2)CCCN1C(C)=O
CC(=O)N1CCCC1(Cc1ccccc1)C(O)=O
COC(=O)C1(Cc2ccccc2)CCCN1C(C)=O
CC(OC(=O)C1(Cc2ccccc2)CCCN1C(C)=O)c1ccccc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCCc1ccccc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCC1CCCCC1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccncc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1Cl
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1cccc(Cl)c1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(C)cc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(cc1)C(F)(F)F
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(cc1)S(C)(=O)=O
CCC1(CCCN1C(C)=O)C(=O)OCc1ccccc1
CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 |r|
CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 |r|
CC(=O)N1c2ccccc2CC1(Cc1ccccc1)C(=O)OCc1ccccc1
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)CCc1ccccc1
CC(=O)N1CCCC1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1
CC(=O)N1CCCC1(COCc1ccccc1)Cc1ccccc1
CC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@@H](CO1)c1ccccc1 |r,t:17|
O=C(OCc1ccccc1)C1(Cc2ccccc2)CCC2CCCC(=O)N12
O=C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O
Brc1ccc2oc(=O)c(cc2c1)C(=O)N1CCN(Cc2ccccc2)CC1
CC(=O)N1CCCC1(Cc1ccccc1)c1nc(co1)-c1ccccc1
CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1
Cc1csc(NC(=O)CSc2ccc(cn2)-c2ccccc2)n1
CN(C(=O)CSc1ccc(cn1)-c1ccccc1)c1nc(C)cs1
CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1
Cc1csc(n1)N(C1CCC1)C(=O)CSc1ccc(nn1)-c1ccccc1
Cc1csc(n1)N(C1CCCC1)C(=O)CSc1ccc(nn1)-c1ccccc1
CCCN1C(N)C(C(=O)CSc2nnc(Cc3ccccc3)o2)C(=O)N(C)C1=O