605 SMILES Strings for G-protein coupled receptor 35

Compound Name
SMILES String
CN1CC2C(c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|
COc1cccc(C2C3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1OC |t:15|
CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(Cl)c1Cl |c:4|
CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1
COc1ccc2nc3oc(cc3cc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1
Cc1ccccc1N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
N#C\C(=C\c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
CN(C)\C=C\C(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CCC2
CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:5|
CC1(C)Cc2c(ccc3ccccc23)C(CC(=O)N2CCCCC2)=N1 |c:26|
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccsc1 |c:4|
CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)cc1
CN(C)c1ccc(\C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc1
Cc1nnc(NC(=O)c2sc3nc(cc(c3c2N)C(F)(F)F)-c2cccs2)s1
Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(o2)N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
CC1(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1
CCN(CC)c1ccc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1
CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC |w:10.10|
CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1 |w:21.21|
CCN(CC)c1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1 |w:9.8|
[O-][N+](=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1nc2ccccc2s1
O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O |c:2,17|
CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
COc1ccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1
COc1cc(\C=C(\C)[N+]([O-])=O)ccc1OCc1ccccc1Cl
[H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
CC(=O)Nc1sc(nc1-c1ccc(C)cc1)C(=C\c1ccc(Cl)c(Cl)c1)\C#N
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccco1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
CC(NC(=O)C(=C\c1ccc(Cl)c(c1)[N+]([O-])=O)\C#N)c1ccccc1
Clc1ccccc1Cn1ncc(Cl)c(Cl)c1=O
CN(C)CCCNC(=O)C(\NC(=O)c1ccccc1)=C/c1ccc(o1)-c1ccc(Br)cc1
CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
CCOC(=O)c1c(NC(=O)C(=C\c2ccc(O)c(OC)c2)\C#N)scc1-c1ccccc1
FC(F)(F)c1ccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
CC(C(=O)Nc1ccc(cc1)C(C)=O)n1nc(-c2ccccc2)c2cc(Cl)ccc12
COCCN1C(=S)S\C(=C/c2ccc(cc2)N2CCCC2)C1=O
Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
NC(=O)C(=C\c1ccc(o1)N1CCCCC1)\C#N
CN(C)\C=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C |c:9|
CC(C)CSC1=NSC2=NC(=O)\C(=C/c3coc4ccccc4c3=O)C(=N)N12 |t:5,8|
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:8,10|
CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:9,11|
CN1\C(Sc2ccccc12)=C\c1cc(C)[n+](CC2CCCO2)c(C)c1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
CC(C)CC1NC(=O)C23C1C(C)C(C)=CC2C=C(C)CCC(O)C(O)C=CC3=O |c:14|
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
COc1ccc(C=CC(=O)NCC(=O)NN=Cc2ccc(O)cc2O)cc1 |w:15.14,6.5|
OC(=O)CSc1nnc(CCCCCCCCC=C)[nH]1
OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)\C=C\c2ccco2)c1
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
Oc1ccc(CN=Nc2nc(nc3ccccc23)-c2ccccc2F)c(O)c1 |w:7.7|
CCCCn1c(O)c(C(=O)C=Cc2c[nH]c3ccccc23)c(=O)[nH]c1=O |w:11.11|
CC(C)c1ccc(cc1)N1C(=S)S\C(=C/N(C)C)C1=O
CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC |w:5.4|
COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F |w:10.11|
[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6] |c:8,12|
CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1
CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
CCOc1ccc(cc1)N(C)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:15.15,c:20|
CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1
Cc1[nH]c2ccc(C)cc2c1\C=C\c1cc[n+](C)cc1
OC(=O)COc1ccc(\C=C\C(=O)c2ccc(cc2)C2CCCCC2)cc1
Nc1[nH]c2cc(ccc2c1-c1ccccn1)[N+]([O-])=O
CC(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(cc1)C(C)(C)C
CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
CCN(CC)CCCNc1ccc(cn1)-c1nnc(o1)-c1ccc(OCC(C)C)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
COc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1
CCN(CC)c1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccc2OCCOc2c1
CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
COc1ccc(C)cc1Nc1n[n+](c(s1)-c1ccc(cc1)N(C)C)-c1ccccc1
CN(C)c1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C/C=C/c3ccccc3)C2=O)cc1
OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\C=C\c3ccccc3)C2=O)cc1
CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1
COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC
Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1
OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1
FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1
Cc1occc1C(=O)Nc1ccc(OCc2ccccc2)cc1
COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1 |w:8.8|
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)n1
COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21
CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Cc1cccc(c1C)N2CCN(CC2)C(=O)c3cc(ccc3N4CCCC4)S(=O)(=O)N(C)C
COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc21
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccccc1
CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c[nH]c2ccccc12 |w:22.23|
CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccco1
CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C\C(C)=C/c2ccccc2)CC1
Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Clc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
C\C=C\Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br
Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1
CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
CCCCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12
CCCCn1c(SCC(=O)c2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
C\C(Cl)=C/Cn1c(NCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1C
CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
COc1ccc(cc1NC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCOCC1
Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
CCCc1cc(sc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
CC(C)Oc1ccc(cc1NC(=O)c1cc2ccccc2s1)S(=O)(=O)N1CCOCC1
COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
FC(F)(F)COc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
CCOc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C
CCc1cc(sc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
COc1ccc(cc1NC(=O)c1ccc(cc1)-n1nc(C)cc1C)S(=O)(=O)N1CCOCC1
CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Cc1cc2cc3OCCOc3cc2n2c(SCC(=O)Nc3nc(cs3)-c3ccccc3)nnc12
COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCCOc5cc4n23)n1
Cc1cc2cc3OCOc3cc2n2c(SCC(=O)Nc3nc(cs3)-c3ccccc3)nnc12
COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCOc5cc4n23)n1
COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
COc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)cc1
O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2)cc1
COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
COc1ccc(cc1)-c1n[nH]cc1C=NNC(=S)NC(C)(C)C |w:14.16|
COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccccc1 |w:10.11|
COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1 |w:10.11|
COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1 |w:10.11|
COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(F)cc1F |w:10.11|
COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccc(F)cc1F |w:10.11|
COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(F)cc1F |w:10.11|
CNC(=S)NN=Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)OC |w:5.4|
COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(Cl)cc1 |w:10.11|
COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(Cl)cc1 |w:10.11|
COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccccc1 |w:10.11|
NC(=S)NN=Cc1c[nH]nc1-c1ccccc1 |w:4.3|
Cc1nc(N2CCN(CC2)C(=O)C2CCCCC2)c2c3CCCCc3sc2n1
Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Cc1cccc(OCC(=O)N2CCN(CC2)c2nc(C)nc3sc4CCCCc4c23)c1
CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccccc3)c21
CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)C3CC3)c21
Cc1nc(N2CCN(CC2)C(=O)c2cccs2)c2c3CCCCc3sc2n1
Cc1nc(N2CCN(CC2)C(=O)COc2ccccc2C)c2c3CCCCc3sc2n1
Cc1nc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c2c3CCCCc3sc2n1
CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccc4n(C)c(C)nc4c3)c21
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1cccnc1
CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21
CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccco1
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccccc1
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCN1CCOCC1
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCc1ccccc1
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCCC1
Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NC1CCCC1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
CC(C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)c1ccc(C)cc1
Fc1ccccc1CC(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CCCC1)c1ccccc1
Fc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1
O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
COc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
CCOc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1
O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CC1)c1ccccc1
Cc1nnc(-c2ccc(Cl)cc2)c2cn(nc12)-c1ccccc1
Cc1nnc(-c2ccccc2)c2cn(nc12)-c1ccc(Cl)cc1
Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccccc1
Cc1nnc(-c2cccc3ccccc23)c2cn(nc12)-c1cccc(Br)c1
COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(cc1)-c1ccccc1
Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccccc1
COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccccc1
COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(Cl)cc1
Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(Cl)cc1
Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccccc1
CC(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Cc1ccc(c(C)c1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2n1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1cccs1
Oc1ccc(-c2n[nH]c(c2-c2ccccc2)C(F)(F)F)c(O)c1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
Cc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2c1)-c1ccccn1
Cc1[nH]nc(c1-c1ccc(Br)cc1)-c1ccc(O)cc1O
CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCC1
CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCCN2CCOCC2)cc1O
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3)cc2)n1
COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c2ccccc2n1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C
COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1
Cc1nc(N2CCN(CC2)C(=O)C2CCCO2)c2c3CCCCc3sc2n1
CC(C)(C)c1ccc(cc1)-c1c(n[nH]c1-c1ccccc1)-c1nc2ccccc2[nH]1
CC(C)C(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccncc1
Oc1c(Nc2cccc(c2)-c2nn[nH]n2)c(=O)c1=O
Cc1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
Oc1c(Nc2cc(cc(c2)-c2ccccc2)-c2nn[nH]n2)c(=O)c1=O
CCOC(=O)c1cccc(c1)-c1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
Oc1c(Nc2cc(cc(c2)-c2ccc(cc2)C(=O)NCc2ccccc2)-c2nn[nH]n2)c(=O)c1=O
Oc1c(Nc2cc(cc(c2)-c2cccc(c2)C(=O)NCc2ccccc2)-c2nn[nH]n2)c(=O)c1=O
COCCNC(=O)c1ccc(cc1)-c1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
COCCOc1ccc(CNC(=O)c2ccc(cc2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Cc1cccc(c1)-c1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
CCc1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
OC(=O)c1cccc(c1)-c1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
Cc1ccc(CNC(=O)c2ccc(cc2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Oc1c(Nc2ccc(F)c(c2)-c2nn[nH]n2)c(=O)c1=O
Oc1c(Nc2ccc(Cl)c(c2)-c2nn[nH]n2)c(=O)c1=O
Cc1ccc(cc1)-c1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
Oc1c(Nc2cc(cc(c2)-c2ccc(OCc3ccccc3)nc2)-c2nn[nH]n2)c(=O)c1=O
Cc1cc(cc(Nc2c(O)c(=O)c2=O)n1)-c1nn[nH]n1
Oc1c(Nc2cc(cc(n2)-c2ccccc2)-c2nn[nH]n2)c(=O)c1=O
Cc1ccc(Cn2cc3cc(ccc3n2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Cc1ccc(COc2ccc(cn2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Oc1c(Nc2cc(cc(c2)-c2ccc3cn(Cc4ccccc4)nc3c2)-c2nn[nH]n2)c(=O)c1=O
Oc1c(Nc2cc(cc(Oc3ccccc3)n2)-c2nn[nH]n2)c(=O)c1=O
Cc1ccc(OCCn2cc3cc(ccc3n2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Oc1c(Nc2cc(cc(c2)-c2nn[nH]n2)C2CC2)c(=O)c1=O
Oc1c(Nc2cc(cc(c2)-c2ccc3[nH]ncc3c2)-c2nn[nH]n2)c(=O)c1=O
Cc1cc(OCCOc2ccc(cn2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc(c1)C(F)(F)F
Cc1ccc(OCCOc2ccc(cn2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Oc1c(Nc2cc(cc(c2)-c2nn[nH]n2)C2CCCCC2)c(=O)c1=O
Oc1c(Nc2cc(cc(c2)-c2ccnnc2)-c2nn[nH]n2)c(=O)c1=O
CN(C)C(=O)c1ccc(cc1)-c1cc(Nc2c(O)c(=O)c2=O)cc(c1)-c1nn[nH]n1
NC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2cc(Nc3c(O)c(=O)c3=O)cc(c2)-c2nn[nH]n2)cc1
Cc1c(sc2cc(Br)c(O)c(Br)c12)C(O)=O
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(cc1)C(O)=O
CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(c1)C(O)=O
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1
OC(=O)c1cc2cc(O)c(O)cc2[nH]1
CCn1c(cc2cc(O)c(O)cc12)C(O)=O
Cn1c(cc2cc(O)c(O)cc12)C(O)=O
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(F)cc(F)c1
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1
Cc1ccc(Cn2c(cc3cc(O)c(O)cc23)C(O)=O)cc1
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(Cl)cc1
OC(=O)c1cc2cc(O)c(O)cc2s1
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1
Cc1c(oc2cc(O)c(O)cc12)C(O)=O
OC(=O)c1[nH]c2cc(O)c(O)cc2c1Br
Cc1c(sc2cc(O)c(O)cc12)C(O)=O
Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)cc1
OC(=O)c1cc(=O)c2ccccc2[nH]1
Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3[nH]2)cc1
O=C(Nc1ccc2nc(SCc3ccncc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
[O-][S@@+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 |r|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N |c:1|
CCCCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
CCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
CCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
CCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Cc1c(sc2c(Br)csc12)C(O)=O
Cc1csc2c1sc1cc(sc21)C(O)=O
CCCCCCc1csc2cc(sc12)C(O)=O
c1csc2c1sc(c2)C(=O)O
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])[#6])=[#6](/C#N)C#N |c:1|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(F)cc1F)=[#6](\C#N)C#N |c:1|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C11[#6]-[#6]-[#6]-[#6]-[#6]1)=[#6](\C#N)C#N |c:1|
[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)C1([#6])[#8]\[#6](=[#6](\C#N)C#N)-[#6](C#N)=[#6]1-[#6] |c:22|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1Cl)=[#6](/C#N)C#N |c:1|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C11c2ccccc2-c2ccccc12)=[#6](/C#N)C#N |c:1|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1(c1ccccc1)C(F)(F)F)=[#6](\C#N)C#N |c:1|
[#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1c(F)c(F)c(F)c(F)c1F)=[#6](/C#N)C#N |c:1|
CCCCCCc1c(sc2ccsc12)C(O)=O
Clc1ccc(CS(=O)(=O)c2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)cc1
CC(Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)c1ccc(Cl)cc1
[O-][S@+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 |r|
[O-][S+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Oc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
OC(=O)c1cc2cc(Br)c(O)c(Br)c2oc1=O
[O-][N+](=O)c1cc(Br)cc2cc(-c3nnn[nH]3)c(=O)oc12
c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O
COc1c(Br)cc2cc(C(O)=O)c(=O)oc2c1Br
OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O
Brc1cc(Br)c2oc(=O)c(cc2c1)-c1nnn[nH]1
OC(=O)c1cc2cc(Br)c(O)c([N+]([O-])=O)c2oc1=O
Oc1c(cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O)[N+]([O-])=O
Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
OC(=O)c1cc2ccccc2oc1=O
OC(=O)c1cc2cc(Cl)ccc2oc1=O
OC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
OC(=O)c1cc2cc(Br)c(O)cc2oc1=O
COc1cc2oc(=O)c(cc2cc1Br)-c1nnn[nH]1
Brc1cc(Br)c2oc(=O)c(cc2c1)C#N
Oc1cc2oc(=O)c(cc2cc1Br)C#N
[O-][N+](=O)c1cc(Br)cc2cc(C#N)c(=O)oc12
COc1c(Br)cc2cc(C#N)c(=O)oc2c1[N+]([O-])=O
O=c1oc2ccccc2cc1-c1nn[nH]n1
Oc1cc2oc(=O)c(cc2cc1Br)-c1nnn[nH]1
Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O
OC(=O)c1cc2cc(Br)cc([N+]([O-])=O)c2oc1=O
OC(=O)c1cc2cc(Br)ccc2oc1=O
COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O
Clc1cc(Cl)c2oc(=O)c(cc2c1)C#N
Clc1ccc2oc(=O)c(cc2c1)C#N
OC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2c(ccc3c2[nH]c(cc3=O)C(O)=O)[nH]1
Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O
COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O
CC(=O)NCCc1ccc(c(c1)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O
Oc1ccc2C3=C4CC(=O)C(=O)C=C4CC3(O)COc2c1O |c:5,12|
OC(=O)C(=C\c1ccc(O)cc1)\C#N
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
c1ccc2c(c1)c(cc(n2)C(=O)O)O
Cc1sc2c(C)c(sc2c1Br)C(O)=O
Cc1c(sc2c(Br)c(Br)sc12)C(O)=O
OC(=O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F
OC(=O)c1sc2c(Br)c(Br)sc2c1O
OC(=O)c1sc2ccsc2c1O
OC(=O)c1sc2c(Br)csc2c1Cl
OC(=O)c1sc2c(Br)csc2c1C1CC1
Cc1c(sc2c(csc12)C#C)C(O)=O
Cc1c(sc2c(csc12)C1CC1)C(O)=O
Cc1c(sc2c(csc12)-c1cccnc1)C(O)=O
Cc1c(sc2c(csc12)-c1ccsc1)C(O)=O
Cc1c(sc2c(csc12)-c1cn[nH]c1)C(O)=O
Cc1c([nH]c2c(Br)csc12)C(O)=O
Cc1c([nH]c2c(csc12)-c1cccnc1)C(O)=O
Cc1c([nH]c2c(csc12)C1CC1)C(O)=O
Cc1c(C(O)=O)n(C)c2c(Br)csc12
OC(=O)c1cc2cc(O)c(O)cc2n1Cc1ccccc1
OC(=O)c1cc2cc(O)c(O)cc2n1CC(=O)c1ccccc1
Cc1ccc(cc1)C(=O)Cn1c(cc2cc(O)c(O)cc12)C(O)=O
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccccc1
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccnc1
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)c(Cl)c3)c2o1
COc1ccc(cn1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(Cl)c1
COc1ccc(cc1OC)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
COc1ccccc1C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1
COc1ccc(cc1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1
COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
OC(=O)c1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2F)cc1
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc4OCOc4c3)c2o1
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3)c2o1
Cc1cccc(c1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
COc1ccc(cc1)C(=O)Nc1cc(F)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)c(Cl)c3)c2o1
OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1
OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2o1
OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4n3)c2o1
OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4c3)c2o1
OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O
COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
CCOc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccccc3)c2o1
OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccc(cc3)[N+]([O-])=O)c2o1
Cc1cccc(c1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccccc3)c2o1
CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1
OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(cc3)C(F)(F)F)c2o1
Cc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cccc(NC(=O)c3cccc(c3)[N+]([O-])=O)c2o1
Cc1cccc(c1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cccc(NC(=O)Cc3ccccc3)c2o1
OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccccc3)c2o1
OC(=O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1
COC(=O)CC(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
CCC(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
CC(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cccc([N+]([O-])=O)c2o1
OC(=O)COc1ccc(\C=C2/SC(=O)NC2=O)cc1
c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl
COc1ccc(cc1)C(=O)Nc1cc(OC)cc2c1oc(cc2=O)C(O)=O
COc1ccc(cc1)C(=O)Nc1cc(C)cc2c1oc(cc2=O)C(O)=O
COc1cc(F)c(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(F)c1
COc1ccc(cc1F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(F)c1
COc1ccc(C(=O)Nc2cc(Cl)cc3c2oc(cc3=O)C(O)=O)c(F)c1
CCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2o1
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
COc1cc2nc(C=C)nc(N3CCN(CC3)c3ccccc3OC)c2cc1OC
COc1ccccc1N1CCN(CC1)c1nc(CC(C)C)nc2cc(OC)c(OC)cc12
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C(C)C
CCCc1nc(N2CCN(CC2)c2ccccc2OC)c2cc(OC)c(OC)cc2n1
CCc1nc(N2CCN(CC2)c2ccccc2OC)c2cc(OC)c(OC)cc2n1
COc1ccccc1N1CCN(CC1)c1nc(Cc2ccccc2)nc2cc(OC)c(OC)cc12
COc1ccccc1N1CCN(CC1)c1nc(C)nc2cc(OC)c(OC)cc12
COc1ccccc1N1CCN(CC1)c1ncnc2cc(OC)c(OC)cc12
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1c(C)cccc1C
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccc(OC)cc1OC
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccc(OC)cc1
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1cccc(OC)c1
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccccc1[N+]([O-])=O
COc1cc2nc(nc(N3CCN(CC3)c3ccccn3)c2cc1OC)C1CCC1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3Cl)c2cc1OC)C1CCC1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3F)c2cc1OC)C1CCC1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3C)c2cc1OC)C1CCC1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3)c2cc1OC)C1CCC1
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccccc1F
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccccc1
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccccc1OC
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3Cl)c2cc1OC)-c1ccccc1
COc1cc2nc(nc(N3CCN(CC3)c3ccc(F)cc3)c2cc1OC)-c1ccccc1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3F)c2cc1OC)-c1ccccc1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3)c2cc1OC)-c1ccccc1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3OC)c2cc1OC)-c1ccccc1
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CCC1
COc1cc2nc(nc(N3CCNCC3)c2cc1OC)C1CC1
COc1ccccc1C(=O)N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
COc1cc2nc(nc(N3CCN(CC3)C(=O)c3ccccc3)c2cc1OC)C1CC1
COc1ccccc1CN1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
COc1cc2nc(nc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC)C1CC1
COc1cc2nc(nc(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2cc1OC)C1CC1
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3Cl)c2cc1OC)C1CC1
CCOc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
COc1ccc2nc(nc(N3CCN(CC3)c3ccccc3OC)c2c1)C1CC1
COc1ccccc1N1CCN(CC1)c1nc(nc2cc3OCOc3cc12)C1CCC1
COc1ccccc1N1CCN(CC1)c1nc(nc2ccccc12)C1CCC1
COc1ccc2c(nc(nc2c1)C1CCC1)N1CCN(CC1)c1ccccc1OC
COc1ccc2nc(nc(N3CCN(CC3)c3ccccc3OC)c2c1)C1CCC1
COc1ccccc1N1CCN(CCc2nc(N3CCN(CC3)c3ccccc3OC)c3cc(OC)c(OC)cc3n2)CC1
COc1cc2nc(CCN(C)C)nc(N3CCN(CC3)c3ccccc3OC)c2cc1OC
COc1ccccc1N1CCN(CC1)c1nc(CC2CC2)nc2cc(OC)c(OC)cc12
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CCCC1
CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC
COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)|
Nc1cc(Br)ccc1-c1nnn[nH]1
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nn[nH]n1
Cc1ccc(cc1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Nc1ccc(Br)cc1-c1nnn[nH]1
COc1ccc(cc1OC)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Fc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1
Clc1cccc(c1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnn[nH]1
Brc1ccc(-c2nnn[nH]2)c(NC(=O)C2CCCCC2)c1
Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
CC(C)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Fc1ccc(cc1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
COc1ccc(cc1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
COc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(F)c1
Clc1ccc(cc1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Clc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Cc1cccc(c1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Brc1ccc(-c2nnn[nH]2)c(NC(=O)c2cccs2)c1
CCC(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
COc1ccc(cc1)C(=O)Nc1ccc(Br)cc1-c1nnn[nH]1
Fc1cccc(c1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
Brc1ccc(-c2nnn[nH]2)c(NC(=O)c2ccccc2)c1
COc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
COc1cccc(c1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
COc1ccc(cc1)C(=O)Nc1cc(F)ccc1-c1nnn[nH]1
FC(F)(F)c1cccc(c1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)-c1nnn[nH]1
Clc1ccc(C(=O)Nc2cc(Br)ccc2-c2nnn[nH]2)c(Cl)c1
Brc1ccc(-c2nnn[nH]2)c(NC(=O)c2ccco2)c1
Fc1ccccc1C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
OC(=O)c1cc2ccc3oc(=O)c(cc3c2oc1=O)C(O)=O
OC(=O)c1cc2cc(Br)c3oc(=O)c(cc3c2oc1=O)C(O)=O
OC(=O)c1cc2cc(-c3ccccc3)c3oc(=O)c(cc3c2oc1=O)C(O)=O
COc1ccccc1-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12
COc1cccc(c1)-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12
COc1ccc(cc1)-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12
OC(=O)c1cc2cc(-c3ccccc3F)c3oc(=O)c(cc3c2oc1=O)C(O)=O
OC(=O)c1cc2cc(-c3cccc(F)c3)c3oc(=O)c(cc3c2oc1=O)C(O)=O
OC(=O)c1cc2cc(-c3ccc(F)cc3)c3oc(=O)c(cc3c2oc1=O)C(O)=O
CC(C)c1ccc(cc1)-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12
OC(=O)c1cc2cc(-c3cccs3)c3oc(=O)c(cc3c2oc1=O)C(O)=O
COc1ccc(c(F)c1)-c1cc2cc(C(O)=O)c(=O)oc2c2cc(C(O)=O)c(=O)oc12
OC(=O)c1cc2c(oc1=O)c(Br)cc1cc(-c3nnn[nH]3)c(=O)oc21
O=c1oc2ccc3cc(-c4nnn[nH]4)c(=O)oc3c2cc1C#N
OC(=O)c1cc2c3ccccc3c3cc(C(O)=O)c(=O)oc3c2oc1=O
OC(=O)c1cc2cc(c(O)cc2oc1=O)-c1ccccc1
COc1ccccc1-c1cc2cc(C(O)=O)c(=O)oc2cc1O
COc1cccc(c1)-c1cc2cc(C(O)=O)c(=O)oc2cc1O
COc1ccc(cc1)-c1cc2cc(C(O)=O)c(=O)oc2cc1O
OC(=O)c1cc2cc(c(O)cc2oc1=O)-c1ccccc1F
OC(=O)c1cc2cc(c(O)cc2oc1=O)-c1cccc(F)c1
OC(=O)c1cc2cc(c(O)cc2oc1=O)-c1ccc(F)cc1
CC(C)c1ccc(cc1)-c1cc2cc(C(O)=O)c(=O)oc2cc1O
OC(=O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O
OC(=O)c1cc2cc3cc(C(O)=O)c(=O)oc3c(Br)c2oc1=O
Cc1c2oc(=O)c(cc2cc2cc(C(O)=O)c(=O)oc12)C(O)=O
OC(=O)c1cc2cc3cc(C(O)=O)c(=O)oc3c(O)c2oc1=O
COc1ccccc1-c1c2oc(=O)c(cc2cc2cc(C(O)=O)c(=O)oc12)C(O)=O |(35.47,-5.72,;34.13,-6.49,;32.8,-5.73,;32.79,-4.19,;31.46,-3.42,;30.12,-4.21,;30.13,-5.74,;31.47,-6.5,;31.48,-8.04,;32.81,-8.8,;34.15,-8.03,;35.48,-8.8,;36.82,-8.04,;35.48,-10.35,;34.14,-11.12,;32.81,-10.35,;31.48,-11.12,;30.15,-10.35,;28.81,-11.12,;27.48,-10.34,;26.14,-11.1,;24.81,-10.33,;26.13,-12.64,;27.49,-8.79,;26.16,-8.02,;28.83,-8.03,;30.16,-8.81,;36.82,-11.13,;36.81,-12.67,;38.15,-10.36,)|
COc1cccc(c1)-c1c2oc(=O)c(cc2cc2cc(C(O)=O)c(=O)oc12)C(O)=O
COc1ccc(cc1)-c1c2oc(=O)c(cc2cc2cc(C(O)=O)c(=O)oc12)C(O)=O
Cc1c2[nH]c(cc(=O)c2cc2c1[nH]c(cc2=O)C(O)=O)C(O)=O
COc1cc(nc2c(C)c3nc(cc(OC)c3cc12)C(O)=O)C(O)=O
Cc1c2nc(cc(Cl)c2cc2c(Cl)cc(nc12)C(O)=O)C(O)=O
OC(=O)c1cc2sc3cc(sc3c2s1)C(O)=O
OC(=O)c1cc2c([nH]1)-c1c(cc(nc1C(=O)C2=O)C(O)=O)C(O)=O
CCCCc1cc2c(O)cc(nc2c2c(O)cc(nc12)C(O)=O)C(O)=O
OC(CCc1cccc2oc(cc(=O)c12)C(O)=O)CCc1cccc2oc(cc(=O)c12)C(O)=O
CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1
CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCOCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
COC(=O)c1cnn(c1\C=N\NC(=S)NC(C)(C)C)-c1ccc(F)cc1F
OC(=O)C(=O)Nc1cccc(NC(=O)C(O)=O)c1Cl
OC(=O)C(=O)Nc1cc(NC(=O)C(O)=O)cc(c1)C#N
OC(=O)C(=O)Nc1cccc(NC(=O)C(O)=O)c1
OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C(F)(F)F
OC(=O)C(=O)Nc1cc(NC(=O)C(O)=O)cc(c1)C(F)(F)F
OC(=O)C(=O)Nc1cc(Br)cc(NC(=O)C(O)=O)c1Cl
CN(C)c1c(NC(=O)C(O)=O)cc(cc1NC(=O)C(O)=O)C#N
COc1c(NC(=O)C(O)=O)cc(cc1NC(=O)C(O)=O)C#N
Cc1cc(NC(=O)C(O)=O)c(Cl)c(NC(=O)C(O)=O)c1
OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C(O)=O
Cc1c(NC(=O)C(O)=O)cc(cc1NC(=O)C(O)=O)C(O)=O
CCOC(=O)C(=O)Nc1cc(cc(NC(=O)C(=O)OCC)c1Cl)C#N
CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1Cl
CCOC(=O)C(=O)Nc1cc(cc(NC(=O)C(=O)OCC)c1Cl)C(F)(F)F
CCOC(=O)C(=O)Nc1cc(Br)cc(NC(=O)C(=O)OCC)c1Cl
CCOC(=O)C(=O)Nc1cc(cc(NC(=O)C(=O)OCC)c1Cl)C(=O)OCC(C)C
COC(=O)C(=O)Nc1cc(cc(NC(=O)C(=O)OC)c1Cl)C(F)(F)F
FC(F)(F)c1cc(NC(=O)C(=O)OC2CC2)c(Cl)c(NC(=O)C(=O)OC2CC2)c1
FC(F)(F)c1cc(NC(=O)C(=O)OC2CCC2)c(Cl)c(NC(=O)C(=O)OC2CCC2)c1
FC(F)(F)c1cc(NC(=O)C(=O)OC2CCCC2)c(Cl)c(NC(=O)C(=O)OC2CCCC2)c1
FC(F)(F)c1cc(NC(=O)C(=O)OC2CCCCC2)c(Cl)c(NC(=O)C(=O)OC2CCCCC2)c1