835 SMILES Strings for Glycoprotein 42

Compound Name
SMILES String
CN1CC2C(c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|
CC(C)OC(=O)CC(=O)c1sc2nc3CCN(C)Cc3cc2c1N
O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCCC1
N=C1C(C#N)=C2CCCCC2C(c2cccnc2)C1(C#N)C#N |t:4|
COc1ccc(OC)c(c1)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(C)C |t:18|
CCN1CC=C2C(C1)C(C(C#N)C(=N)C2(C#N)C#N)c1ccc(Cl)s1 |c:4|
CCOc1ccc2nc(N3CCCN(CC3)C(=O)Nc3ccccc3C)c(cc2c1)C#N
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
COc1cccc(C2C3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1OC |t:15|
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
COc1ccc2nc(N3CCCCC3)c(cc2c1)C#N
CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nccs1
OC(=O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc12 |t:10|
O=C(Nc1ccc(cc1)-n1cnnn1)C1CCC1
COc1ccc2nc(N3CCCC3)c(cc2c1)C#N
CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
COc1ccc2nc(N3CCC(C)CC3)c(cc2c1)C#N
C(N1CCCc2ccccc12)c1nnnn1CC1CCCO1
O=C(NCCCn1ccnc1)c1ccc2OCCOc2c1
CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC(C)CC1
CCCn1c(=O)c(sc1=C(C#N)C#N)=C1C=Cc2ccccc2N1CC |w:14.25,c:16,(3.08,2.52,;4.61,2.36,;5.24,.95,;6.77,.79,;7.8,1.93,;7.48,3.44,;9.21,1.31,;9.05,-.22,;7.54,-.54,;6.91,-1.95,;5.38,-2.11,;3.85,-2.27,;7.82,-3.2,;8.72,-4.44,;10.54,2.08,;10.54,3.62,;11.87,4.39,;13.21,3.62,;14.58,4.44,;15.98,3.65,;15.98,2.05,;14.58,1.26,;13.21,2.08,;11.87,1.31,;11.87,-.23,;13.21,-1,)|
CC1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:4|
O=C1N(C(=O)c2ccc(N3CCCCC3)c3cccc1c23)c1ccccn1
COc1ccc2nc(N3CCCC(O)C3)c(cc2c1)C#N
CC(O)CCc1nc2ccc(cc2[nH]1)C(O)=O
CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|
CCNc1cccc2C(=O)N(C)C(=O)c12
Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nccs1)c1cccc(OCC=C)c1
CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cc(Cl)ccc1Cl |c:5|
CCOc1ccc2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CC3)cc2c1
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(Cl)c1Cl |c:4|
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
CN1CCC2(CC1)C1CN(C)CCC1=C(C#N)C(=N)C2(C#N)C#N |t:15|
CCCCOc1nc2nc(-c3ccco3)n(Cc3ccco3)c(N)c2c1C#N
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](C2C1)c1cccc(Cl)c1 |c:4|
Cn1c2ncc(Cl)cc2[nH]c1=O
N=C1C(C#N)C(C(C#N)=C2Sc3ccccc3N12)c1ccccc1 |t:8|
CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
COc1ncnc2SC3=C(N)CC(C)(C)CC3=Nc12 |c:8,17|
COC(=O)CN1C(=O)N(C(N(O)C(=O)Nc2ccccc2)C1(C)C)c1ccccc1
Cc1nc2nc(cn2nc1C)-c1cccs1
FC(F)(F)c1c(CCN2CCOCC2)c(=O)oc2c3CCCN4CCCc(cc12)c34
CCN1C(=O)Nc2ccc(OC)cc2C1=C
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
COc1cc(cc(OC)c1OC)C1CC(n2ncc(C(O)=O)c2N1)C(F)(F)F
CC1=NC(c2ccccc2)C(C#N)(C#N)C(C1)(C#N)C#N |t:1|
CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1
CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1
COC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O
CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O |w:14.15|
CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccc2OCOc2c1
CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccccc1
Cc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
CC1CCc2cccc3Oc4cc(C#N)c(cc4N1c23)C#N
COc1ccc(cc1)C1CC(=Nc2nc(NC(C)=O)nn12)c1ccc(Cl)cc1 |c:11|
CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1
CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
Oc1ccc(O)n1-c1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:11|
Cc1ccc(cc1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
Nc1c(c2nc3ccccc3nc2n1Cc1ccco1)S(=O)(=O)c1ccccc1
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1ccccc1
Cc1ccc(cc1C)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(F)cc1)C(=O)c1ccco1 |c:4|
[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4|
COc1ccc(cc1)C1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1
CCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
COc1ccc(cc1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)NC2=O)C(=O)c1cccs1 |c:4|
Oc1c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c(O)n1-c1ccccc1
C1C(c2ccco2)n2ncnc2N=C1c1ccc(cc1)-c1ccccc1 |c:14|
COc1ccc(Cl)cc1CN1CCN(CC1)c1nc(C)cc(C)c1C#N
Cc1ccc(cc1)-c1noc(CCC(=O)N2CCCC2)n1
CC(=O)c1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
Cc1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
CCOC(=O)c1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
Cc1ccc(C)c(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
C=CCN1CC(CC1=O)c1nc2ccccc2n1CCOc1ccccc1
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3CCCc3c2C(N)=O)n1
O=C(Nc1ccc2[nH]c3CCCCc3c2c1)c1ccco1
Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
Cc1cccc(c1)-n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
COc1cc(C=c2s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC
Cc1cc(C(=O)COC(=O)COc2ccccc2C#N)c(C)n1CC=C
Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc12
Nc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 |t:6|
Nc1sc(=S)c2CCCCc2c1C#N
Cc1cc(c(C)o1)-c1nc2c3c4CCCc4sc3nc(=O)n2[nH]1
O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12
COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1
NC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1
Cc1ccc(C)n1-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1 |(11.11,3.09,;9.64,3.57,;9.17,5.03,;7.63,5.03,;7.15,3.57,;5.72,4.15,;8.4,2.67,;8.4,1.13,;9.73,.36,;9.73,-1.18,;8.4,-1.95,;7.06,-1.18,;7.06,.36,;5.55,.09,;4.44,1.16,;3.08,.43,;3.35,-1.08,;4.87,-1.3,;11.07,-1.95,;10.3,-3.29,;11.84,-.62,;12.4,-2.72,;13.73,-1.95,;15.07,-2.72,;15.07,-4.26,;13.73,-5.03,;12.4,-4.26,)|
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccco1)=[#6](\C#N)-c1nc2ccccc2s1 |t:1,4|
CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCc4ccccc34)C1=O)oc1ccccc21
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
CC(C)(C)NC(=O)c1sccc1C(O)=O
COC(=O)C(Nc1nccs1)(OC)C(F)(F)F
Cc1ccsc1C1CC(=Nc2ncnn12)c1cccc(Br)c1 |c:9|
COc1ccc(CCNC(=O)COc2nsnc2N2CCOCC2)cc1OC
[O-]N1C2=C(CCCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2N(CCCc2c1)C(C)=O
O=C1CCn2cnc3cccc4ccc1c2c34
CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1
CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(OC)c1OC |c:6|
O=C(CCN1C(=O)COc2ccccc12)NCc1ccco1
COc1ccc(cc1OC)C1CC(=Nc2ncnn12)c1ccc(Br)s1 |c:13|
O=S(=O)(Nc1ccc2OCCOc2c1)c1cccc2cccnc12
Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
Cc1ccc(cc1)C1C2C(=O)CCCC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:16|
NC(=O)c1cc2ccc(=O)cc2oc1NCc1ccccc1
Cc1ccc(C=c2sc3nc(nn3c2=O)-c2cccnc2)cc1
CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1
Cc1cccn2c1nc1n(CCOCCO)c(=N)c(cc1c2=O)C(=O)NCc1ccco1
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
COC(=O)c1ccc2c(c1)nc(sc2=O)N1CCC(CC1)C(N)=O
COc1ccc(OC)c(C=c2sc3nc(nn3c2=O)-c2cccs2)c1
CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1
CCN(CC)c1ccc2oc(=O)c(C)nc2c1
COc1ccc2nc(C)cc(N3CCOCC3)c2c1
Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
CCOC(=O)CC(=O)CSc1nc(ccc1C#N)-c1cccnc1
CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N
COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
Cc1cc(NC(=O)Cc2cccs2)no1
CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C
CCOC(=O)c1c(C)nc(C)cc1Nc1ccccc1N
Cc1ccn(n1)C(=O)c1ccc(NC(=O)C2CCCCC2)cc1
COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1
CCOC(=O)N1CCC(CC1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Fc1ccc(NC(=O)Nc2ccncc2)c(F)c1
Clc1ccc(cc1)C1CC(=Nc2nc(nn12)C(=O)N1CCOCC1)c1ccccc1 |c:10|
COc1ccc(cc1)S(=O)(=O)NCCc1ccc(F)cc1
CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21
CN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(C)c2ncccc12
Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|
CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(F)cc1
O=C1c2ccccc2-c2ncnc3c(cc(N4CCOCC4)c1c23)N1CCOCC1
O=C(Cn1cc2CCCCc2n1)NCc1ccccn1
Clc1cnc2N3CCCC3C(=O)Nc2c1
Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1
OCCCc1nc2N=C(CC(c3cccs3)n2n1)c1ccccc1 |c:7|
CSC1=N\C(=C/c2ccccc2F)C(=O)S1 |t:2|
Clc1ccc(OCc2nnc(o2)-c2ccccc2Br)c(Cl)c1
Cc1c(C#N)c2ncnc(-c3ccccc3)c2n1-c1ccccc1
Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccccc1)-c1ccccc1
O=c1[nH]c2Nc3ccccc3N=Cc2s1 |c:12|
COc1nc(NCCC2=CCCCC2)nc(OC)n1 |t:8|
COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(C)c1
CC(C)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34
Cc1[nH]c2ccccc2n2c1cc(CC(O)=O)c2=O
OCCCN1C(=O)C2=C(SCCS2)C1=O |t:7|
Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1
CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1C
COc1ccc(cc1OC)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nnc(C)s1
COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nncs1
C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccco1
CN1CCCc2cc3c(cc(=O)oc3nc12)C(F)(F)F
NC(=O)CSc1nc2CCCCc2c(-c2ccc(O)cc2)c1C#N
COc1ccc2ccccc2c1C(O)c1nccn1C
Cn1c(N=Cc2c(O)ccc3ccccc23)nc2ccccc12 |w:3.2|
O=C(C1C(N(C(=O)C1=O)c1ncccn1)c1cccs1)c1ccco1
CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
[H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:28|
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |c:27|
CN(Cc1c(C)nn(C)c1C)C(=O)C1c2ccccc2Oc2ccccc12
O=C1CCNc2ccc(cc12)-c1ccccc1
CCSc1nc2sc3CCCCc3c2c(=O)[nH]1
Oc1ccccc1C=NC1=NN(CC1)c1cccc(c1)C(F)(F)F |w:8.9,t:10|
Cc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(cc2c1)C#N
Cc1cc(=O)oc2c3CCCN4CCOc(cc12)c34
Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(C)cc1
COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(F)cc1
COc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
COc1ccc(cc1)-c1nnc(o1)-c1cc2c(ccc3ccccc23)oc1=O
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6|
CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
CC(C)c1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1
Cc1cccc(NC(=O)CSc2nnnn2C)n1
NC(=O)c1sc2nc3CCCc3c(-c3ccccc3)c2c1N
Fc1ccc(cc1)-c1onc2ccc(C=O)cc12
CC1(OCCO1)c1ccc2noc(-c3ccc(F)cc3)c2c1
FC(F)(F)c1cnc(C(CCC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1 |c:4|
CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O |w:11.11|
CC(C)(C)N1CC(CC1=O)c1nc2ccccc2n1CCOc1ccccc1
CN(C)c1ccc(C=c2sc3=NC4(N(C)C(=O)N(C)C4(Nn3c2=O)c2ccccc2)c2ccccc2)cc1 |t:10|
Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1
c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CCC2
[H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(C)=O |c:4|
O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1
C1CCc2nn3cc(nc3nc2C1)-c1ccccc1
Cc1noc(\C=C\c2ccc(o2)-c2ccccc2Cl)c1[N+]([O-])=O
CS(=O)(=O)n1nc(nc1SCc1ccccc1)-c1ccc(Cl)cc1
Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1 |c:14|
Cc1ccc(cc1)C(=O)ONc1ccc(cc1)\N=N\C(=O)c1ccccc1O
CCOc1ccc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1
OCCCc1nc2N=C(CC(c3cccs3)n2n1)c1ccc(Br)cc1 |c:7|
OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
COc1ccc(\C=C2/N=C(OC2=O)c2c(C)onc2-c2ccccc2)cc1OC |c:8|
CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N=CN(C)C |w:18.20|
Cc1ccc(OCCn2c(nc3ccccc23)C2CN(Cc3ccccc3)C(=O)C2)cc1
Fc1ccc(NCc2cccnc2)cc1F
ClC1=CCC2C(C1)C(=O)N(CCCCCCN1C(=O)C3CC=C(Cl)CC3C1=O)C2=O |t:1,22|
Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2)cc1
O=C(N1CCN(CC1)c1ncccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Clc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
Cn1c(nc2c1c1ccccc1c1ccccc21)-c1ccc(C=O)s1
[H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-c1ccccc1)-[#6]-3=O)\[#6]2=[#6](/c1ccccc1)-c1ccccc1 |c:2,TLB:8:7:20:3.2,THB:18:6:20:3.2|
CCC(C)NC(=O)c1ccc(CSCc2cccc(F)c2)o1
Brc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
CCC(=O)Nc1nc2N=C(CC(c3ccc(OC)cc3)n2n1)c1ccccc1 |c:8|
O=c1oc2ccccc2cc1-c1nc(cs1)-c1cccs1
S=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCc1nnc(N=C2S\C(=C/c3ccc(cc3)N(C)C)C(=O)N2CC=C)s1 |w:6.5|
COc1ccc(cc1)C(=O)Cc1nc2ccccc2n(-c2ccccc2)c1=O
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
CCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Oc1oc(nc1C=Nc1cccc2ccccc12)-c1ccccc1 |w:7.8|
Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1ccc(C)cc1)-c1ccccc1 |c:5,28|
CC(C)CN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1ccccc1)-c1ccccc1 |c:5,28|
CC(=O)Nc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccccc2)c2ccccc2)cc1 |t:9,27|
CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C1CCCCC1)C2=O)C(C)=O |c:4|
CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1 |c:5|
O=Cc1ccc2oc3nc4SCCCn4c(=O)c3c(=O)c2c1
CSc1nc(N(C)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O |c:9,11|
CN(C)c1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCCC(O)=O |c:17,t:9|
COc1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCC(O)=O |c:16,t:8|
CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1
COc1ccc2n(CC(=O)OC(C)C)c3nc4ccccc4nc3c2c1
CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
CCOC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O
CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
CC(C)NC(=O)c1sc2nc(cc(-c3cccs3)c2c1N)-c1cccs1
Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2ncccc2c1
CCOCCCNc1nc2c(C)cccn2c(=O)c1\C=C1/SC(=S)N(CC(C)C)C1=O
CCCNC(=O)COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C
Cc1cc(ccc1F)S(=O)(=O)Nc1nc(CN2CCOCC2)nc2sc3CCCCc3c12
CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2nc3CN(Cc4ccccc4)CCc3s2)cc1
Nc1nnc(s1)-c1cc2c(ccc3ccccc23)oc1=O
CNC(=S)NN(c1ccccc1)c1ccccc1
CCc1ccc(NC(=O)c2ccc3ncsc3c2)cc1
COc1ccc2C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)N(Cc3ccco3)C(=O)c2c1 |w:7.7|
CCN1C(=O)C(C=NN=Cc2ccccc2)c2ccc(cc12)C1=NNC(=O)CC1 |w:7.7,9.9,t:25|
[O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|
Cc1noc(C)c1CSc1nnc(-c2cccnc2)n1-c1ccccc1C |(6,-1.13,;5.1,.11,;3.56,.11,;3.08,1.58,;4.33,2.48,;4.33,4.02,;5.57,1.58,;7.04,2.06,;8.18,1.02,;9.65,1.5,;10.12,2.97,;11.66,2.97,;12.14,1.5,;13.6,1.02,;13.92,-.48,;15.39,-.96,;16.53,.07,;16.21,1.58,;14.75,2.06,;10.89,.6,;10.89,-.94,;12.23,-1.71,;12.23,-3.25,;10.89,-4.02,;9.56,-3.25,;9.56,-1.71,;8.22,-.94,)|
COCCOC(=O)c1sc(=S)n(CCOC)c1N
CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c21
Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
O=C(CSc1ccc2-c3ccccc3C(=O)c3cccc1c23)Nc1cccc(c1)C#N
Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1
O=c1c(CN=Nc2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 |w:4.3|
CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2ccc(F)cc2)c(=S)[nH]c1=O |w:14.15|
Oc1ccc2C(=O)N(Cc3ccccc3)C(=O)c3cccc1c23
CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2ccccc2F)c(=S)[nH]c1=O |w:14.15,(6.1,6.56,;7.13,5.42,;6.65,3.95,;7.68,2.81,;9.19,3.13,;7.2,1.34,;5.75,.87,;4.41,1.64,;3.08,.87,;3.08,-.67,;4.41,-1.44,;5.75,-.67,;7.2,-1.13,;8.1,.1,;9.64,.1,;10.41,-1.23,;11.95,-1.23,;12.72,-2.56,;11.95,-3.9,;14.26,-2.56,;15.03,-3.9,;16.57,-3.9,;17.34,-5.23,;16.57,-6.56,;15.03,-6.56,;14.26,-5.23,;12.72,-5.23,;15.03,-1.23,;16.57,-1.23,;14.26,.1,;12.72,.1,;11.95,1.44,)|
COC(=O)c1cc2c(-c3ccccc3)c(C)c3ccccn3c2c1C(=O)OC
COC(=O)c1cc2c(C)cc3ccc(C)cn3c2c1C(=O)OC
COC(=O)c1cc2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21
Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
COC(=O)c1cc2c(C)c(C)c3ccccn3c2c1C(=O)OC
CC(C)c1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
COc1ccccc1NC(=O)c1sc2nc(Cc3ccccc3)cc(c2c1N)C(F)(F)F
CCn1c(SCc2ccc(cc2)C(=O)Nc2nccs2)nnc1-c1ccc(N)cc1
COC(=O)c1cc2c(cc3ccccn3c2c1C(=O)OC)-c1ccccc1
COCCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
CCCN1C(=S)S\C(=C/C=C2\N(CC)c3ccccc3C2(C)C)C1=O
CCOc1ccc(NC=C2C(C)=C(C#N)C(=O)N(CCc3ccccc3)C2=O)cc1 |w:8.7,t:11|
[O-][N+](=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccco1 |c:11|
Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccccc1
CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
Cc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1
COc1ccc(NC(=O)CSc2ccc3-c4ccccc4C(=O)c4cccc2c34)cc1
CN(C)c1cccc(c1)C(=O)OCc1cc(=O)oc2cc(O)ccc12
Cc1cc(ccc1C=NNC(=O)c1ccco1)N(CCCl)CCCl |w:8.9|
[#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:14.15,t:8|
CS(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:8|
[O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccc(Cl)cc1 |w:10.11|
Cc1ccc(cc1)C(=O)NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(CC1)c1ccccc1F
CCCCN1C(=S)S\C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O
Cc1ccnc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Cc1ccc(CSc2nnc-3c(OC4(Nc5ccccc-35)C(=O)Nc3ccc(F)cc43)n2)cc1
Cc1ccc(\C=C2/Sc3ccccc3C2=O)s1
Nc1cc2nsnc2cc1Br
COc1ccc(CCNc2nc(cs2)-c2cccnc2)cc1OC
Cc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc45)c(N)c3cc12
COc1ccccc1Nc1nc2ccc(C)cc2cc1C#N
COc1ccc(NC(=O)CSc2nc3CCN(C)Cc3c(-c3cccs3)c2C#N)cc1OC
COc1ccc(cc1)\N=N\c1nc2ccc(Br)cc2n1C
Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|
Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|
Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
[#6]-c1ccc2cc(\[#6]=[#6](\C#N)C#N)c(nc2c1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
N=C1OC2=C(CC\C2=C/c2ccccc2)C(C1C#N)c1ccccc1 |t:3|
CCOC(=O)C(=O)C(=C/N(C)C)\c1onc(c1C(=O)OC)-c1ccccc1
Cc1cc(n2nc(cc2n1)-c1sccc1-n1cccc1)C(F)(F)F
C1CN(CCN1c1nc2nccc(-c3ccccc3)n2n1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Clc1cccc(c1)C(=O)NNC(=O)c1sccc1-n1cccc1
COc1cc(C=Nc2oc(cc2C#N)-c2ccccc2)ccc1O |w:6.6|
Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
COc1ccc(OC)c2C(=O)c3ccccc3C(=O)c12
CC(=O)NC1C(OCCOc2ccc(Cl)cc2Cl)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
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|
OC(=O)COc1ccc(cc1)-c1nccc(n1)-c1cccs1
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
CCOc1ccc(N=CCC(=O)c2ccc(OC)cc2)c(c1)[N+]([O-])=O |w:7.6|
CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CC(C)(C)C3)c(cc1OC)[N+]([O-])=O |c:12|
[O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1
[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccccc1
[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccc(Cl)cc1
COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(Cl)cc2)c1
Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1
[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O
Cc1cccc2cc(\C=C3/N=C(OC3=O)c3ccccc3)c(nc12)N1CCOCC1 |c:10|
CCN(CC)c1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1 |w:9.8|
CCN(CC)C(=O)C(\NC(=O)c1ccccc1OC)=C/c1ccc(Br)cc1
COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CCC3)c(cc1OC)[N+]([O-])=O |c:12|
Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCCc2ccccc12
CN(C)c1ccc(\C=C2/SC(=O)N(CC(O)Cn3c4ccccc4c4ccccc34)C2=O)cc1
CCc1ccc2nc3sc(C(=O)N4CCc5ccccc45)c(N)c3cc2c1
Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(c1)-c1cc2ccccc2oc1=O
N#C\C(=C/C=C/c1ccccc1)c1nc(cs1)-c1ccc2OCOc2c1
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)c2nc3ccccc3s2)o1
CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
CN(C)c1ccc(Nc2c3-c4ccccc4C(=O)c4cccc(n(C)c2=O)c34)cc1
O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
O=C(CSc1ccccn1)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
CC(C)OC(=O)c1c2c(C(=O)c3ccccc3C2=O)n2ccccc12
Fc1ccccc1CSc1nnc-2c(OC3(Nc4ccccc-24)C(=O)Nc2ccc(Cl)cc32)n1
CCOc1ccccc1-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(13.35,3.58,;13.35,2.04,;12.01,1.27,;10.68,2.04,;10.68,3.58,;9.35,4.35,;8.01,3.58,;8.01,2.04,;9.35,1.27,;9.35,-.27,;10.68,-1.04,;12.06,-.22,;13.45,-1.01,;14.78,-.24,;13.45,-2.62,;14.78,-3.39,;12.06,-3.41,;10.68,-2.58,;9.35,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,)|
CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Clc1cccc(c1)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
COc1ccc(cc1)-n1c(C)cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c1C
Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
CN1C(=S)NC(=O)\C(=C\N2CCc3ccccc23)C1=O
[O-][N+](=O)c1cccc(NC(=O)c2cnccn2)c1
O=C1C=Cc2cc(=C3SC4CCc5ccccc5C4=N3)c(=O)oc2=C1 |w:7.7,c:2,20,27|
COc1ccc(c(OC)c1)-c1cc(c2c(n1)sc1c2[nH]c(O)cc1=O)C(F)(F)F
COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccc(C)cc3)c(N)c12
Nc1ccc(cc1)-c1nc2ccc(cc2s1)C(O)=O
COc1cccc(c1)C(=O)Cc1nc2ccc(cc2[nH]c1=O)C(=O)NCCc1ccc(Cl)cc1
COc1cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(Br)cc1O
CCN(CC)c1ccc2cc(-c3nc(cs3)-c3ccc(OC)cc3)c(=O)oc2c1
Cc1ccc(cc1-c1ccc(C=C(C#N)c2n[nH]c(N)c2C#N)o1)[N+]([O-])=O |w:11.11|
Cc1cc(-c2ccccc2)c(C#N)c(=S)[nH]1
[O-][N+](=O)c1ccc(C=Cc2nc3ccc(cc3[nH]2)[N+]([O-])=O)cc1 |w:8.8|
COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
Cc1ncc(n1Cc1cccc2ccccc12)[N+]([O-])=O
Cc1ccc(NC2=NC(=O)C(S2)=Cc2cn(C)c3ccccc23)cc1C |w:12.13,t:6|
CCCN1C(=O)C(=NNc2ccc3ccccc3n2)c2ccccc12 |w:7.7|
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1
Nc1oc2cc(=O)ccc2cc1C(=O)Nc1nc2ccccc2s1
CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1
CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 |w:10.9|
CSC1=NSC2=NC(=O)\C(=C\c3coc4ccccc4c3=O)C(=N)N12 |t:2,5|
COc1ccc2c3c1cccc3C(=O)N(C2=O)O
CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 |t:2,5|
Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 |w:10.10|
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1
Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
COc1ccc(cc1)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
CC(=O)Oc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)c1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1
Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1 |t:7|
CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
CCOc1cc(Br)c(Br)c(C=Nc2ccc(NC(C)=O)cc2)c1O |w:11.11|
Cc1ccc(C)c(c1)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O |(7.19,4.65,;8.52,3.88,;9.85,4.65,;11.19,3.88,;11.19,2.34,;12.52,1.57,;9.85,1.57,;8.52,2.34,;9.85,.03,;8.52,-.74,;7.14,.08,;5.75,-.71,;5.75,-2.32,;7.14,-3.11,;8.52,-2.28,;9.85,-3.05,;11.19,-2.28,;11.19,-.74,;12.56,.08,;13.96,-.71,;15.29,.06,;13.96,-2.32,;12.56,-3.11,;12.55,-4.65,;4.42,-3.09,;3.08,-2.33,;4.42,-4.63,)|
CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O
CCc1cccc2cc3c(N)c(sc3nc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
CCN(CC)c1ccc2cc(C(=O)NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)c(=O)oc2c1
Cc1ccc(cc1)C(NC(=O)C1CCCCC1)c1c(O)ccc2ccccc12
CC1(C)CC(=O)C2=C(C1)OC(=[NH2+])[C-](C#N)C2c1cc2OCOc2cc1[N+]([O-])=O |c:6|
COc1nc(N=NCc2ccc(o2)-c2cccc(c2)[N+]([O-])=O)nc(n1)N1CCOCC1 |w:5.4|
Fc1ccccc1-c1ccc(\[#6]=[#6](\C#N)C#N)o1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CC1(C#N)C(N)=C(CC1(C#N)C#N)C=O |c:23,TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
O=C(CSc1nnc(SCc2ccccc2)s1)NN=C\C=C/c1ccco1 |w:18.19|
Cc1ccccc1NC(=O)CSc1ccsc1[N+]([O-])=O
CN(\N=N\c1ccc(cc1)[N+]([O-])=O)c1ccccc1
CC(C)Nc1c(F)c(F)c2c(C)c3ccccc3nc2c1F
CN(C)c1c(F)c(F)c2c(C)c3ccccc3nc2c1F
Cc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12
[#6]-[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)ccc1-[#8]-[#6]-[#6](=O)-[#7]-c1ccc(-[#6])cc1
CSC1=NSC2=NC(=O)\C(=C/c3coc4ccccc4c3=O)C(=N)N12 |t:2,5|
CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
[#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:11,17|
Cc1ccc2C(=O)c3ccccc3-c3cccc1c23
Oc1ccc2ccc3OC(=N)C(C#N)C(c4ccsc4)c3c2c1
Cc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1C
COc1ccc(\N=N\c2nc3cc(Br)c(Br)cc3n2C)c(OC)c1
Cc1ccc(cc1)-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1
Oc1n(-c2ccccc2Cl)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1 |(8.13,-2.3,;8.61,-.83,;7.7,.41,;6.16,.41,;5.39,-.92,;3.85,-.92,;3.08,.41,;3.85,1.75,;5.39,1.75,;6.16,3.08,;8.61,1.66,;8.13,3.12,;10.07,1.18,;11.53,1.65,;12.43,.41,;11.53,-.83,;12.01,-2.29,;10.98,-3.44,;11.46,-4.9,;12.96,-5.22,;13.99,-4.07,;13.51,-2.61,;10.07,-.36,;12.01,3.12,;10.98,4.26,;13.51,3.44,;14.54,2.29,;16.05,2.61,;16.53,4.07,;15.5,5.22,;13.99,4.9,)|
Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1Cl
Fc1ccc(\C=C2/CCC3=C2OC(=N)C(C#N)C3c2ccc(F)cc2)cc1 |c:9|
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
CCOC(=O)C(=C/c1ccc(cc1)N1CCN(C\C=C\c2ccccc2)CC1)\C#N
COc1ccc(cc1OC)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1OC
CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
N=c1oc2ccc3ccccc3c2cc1-c1nc(cs1)-c1ccccc1
Cc1cc(-c2cccs2)c2c(N)c(sc2n1)C(=O)c1ccc2OCOc2c1
COc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1
Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c12
Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(C1CCCCC1)c3=O
O=C(CSc1nnc(SCc2ccccc2)s1)NN=C\C=C\c1ccco1 |w:18.19|
COc1ccc2n(Cc3ccc(OC(C)C)c(OC)c3)c3nc4ccccc4nc3c2c1
COc1ccc2n(Cc3ccc(OC)c(OC)c3)c3nc4ccccc4nc3c2c1
CC(=O)Nc1ccc(cc1)N1CCc2c1n1c3ccccc3nc1c(C#N)c2C
CCc1cc[n+](cc1)-c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1
Cc1cc(C)c[n+](c1)-c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|
CC1=C\C(=C/c2ccc(Br)o2)C(=O)O1 |t:1|
CCOc1cc(C=C(C#N)c2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O
CCCCCC(=O)NN=Cc1ccc(cc1)N(C)C |w:8.7|
Cn1c2cccc3C(=O)c4ccccc4-c(c(Nc4ccc(O)cc4)c1=O)c23
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
CC(=O)Nc1ccc(Nc2c3-c4ccccc4C(=O)c4cccc(n(C)c2=O)c34)cc1
COc1ccccc1NC(=O)CC(c1ccc(OC(C)C)cc1)c1ccccc1OC
CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
Fc1ccccc1CN=Nc1ncnc2nc[nH]c12 |w:9.10|
Clc1cccc(c1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Clc1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
Clc1cc(Cl)cc(c1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Clc1ccccc1C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Cn1c(nc2ccccc12)C(C#N)c1c(Cl)c(=O)n(C)nc1[N+]([O-])=O
CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccccc3)C2=O)cc1
CNc1cccc2C(=O)c3ccccc3C(=O)c12
COc1ccccc1NC(=O)C(=C\c1cc(ccc1N1CCCC1)[N+]([O-])=O)\C#N
[#6]-[#8]-c1ccccc1-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6](\C#N)-c1nc2ccccc2s1 |c:11,14|
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
CCOC(=O)C1C(CC(C=Cc2ccc(cc2)N(C)C)=CC1=O)c1ccccc1 |w:9.8,c:20|
O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
Cc1cc(nc2ccccc12)-c1ccc(cc1)N1CCOCC1
CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1F)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
Cc1cc(ccc1-c1ccc(\C=N\NC(=O)Cc2ccccc2)o1)[N+]([O-])=O
CCc1ccc[n+](c1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:15.17|
COc1ccc(cc1)-n1c(N)c(C#N)c2ccc(cc2c1=O)[N+]([O-])=O
Cc1c(O)c2C(=O)N(C(=O)c3cccc(c1O)c23)c1ccccc1
OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccccc1Cl |w:7.8,t:1|
Oc1ccccc1C(=O)c1cc(C#N)c(=O)n(c1)-c1nccs1
CCCCn1c(N)c(NCCC(C)C)c(=O)[nH]c1=O
Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccc(C)cc1)-c1ccccc1 |c:15|
Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccccc1)-c1ccccc1 |c:15|
[O-][N+](=O)c1cc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)ccc1N1CCCC1
CCOc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:17.19|
COc1ccc2nc(sc2c1)N1C(=S)NC(C1=O)=C1C(=O)Nc2ccccc12 |w:18.30|
Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Oc1n(-c2ccc(Cl)cc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12
Cc1ccc(NC(=O)C(\C#N)=c2/sc(=C\C=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1C
[O-][N+](=O)c1ccc(cc1)-c1cn(-c2ccc(Cl)cc2)c(=S)[nH]1
COc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:16.18|
Nc1cccc(c1)C(=O)OCC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
COC(=O)c1c(Cl)c2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21
[#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(-[#6])n1-c1ccc2-[#8]-[#6]-[#8]-c2c1
[O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Cc1ccc(cc1)C(=O)NN1C(=S)S\C(=C/c2cn(C)c3ccccc23)C1=O
OCc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
Oc1ccc(Br)cc1N=Cc1cccc(CC=C)c1O |w:8.8|
Cc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12
[O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc1nnc(o1)-c1ccccc1Cl
Cc1cc[n+](cc1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:14.16|
Cc1ccc[n+](c1)-c1[nH]c(=O)sc1C=NNC(=O)c1ccccc1[O-] |w:14.16|
Cc1cc[n+](cc1C)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:15.17|
ClC(Cl)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
Clc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 |w:12.13,t:6|
Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Cn1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc12
Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
CCOC(=O)c1[nH]cnc1N=Nc1c(O)ccc2ccccc12 |w:10.10|
Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|
CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccc(F)cc1)-c1ccccc1 |c:15|
Clc1ccc(cc1)C(=O)[C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1
Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccccc1)\C#N |c:13|
O=C([C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1)c1ccccc1
CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccccc1
CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccc(Cl)cc1
CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC
[H][C@]12[C@H](O)c3ccccc3-c3c4OCOc4cc(CCN1C)c23
Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccc(Cl)cc1)\C#N |c:13|
[O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1 |c:27|
Brc1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1
Fc1ccccc1-[#7]-[#6](=O)-[#6](=[#6]/c1sc(nc1-c1ccccc1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)\[#6](=O)-[#7]-c1ccccc1F
CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
CCOc1ccc(-c2csc(NC(=O)CSc3nc(O)cn3C(C)=O)n2)c2ccccc12
CCOC(=O)C(=C\c1ccc(cc1)N1CCN(Cc2ccccc2)CC1)\C#N
C(C1CO1)[n+]1c([nH]c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CC
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
Cc1cccc(C)c1NC(=O)COC(=O)c1c2CCC\C(=C\c3ccc4OCOc4c3)c2nc2ccccc12
COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCOCC1
O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
O=C(Nc1cccc2ccccc12)C(=C\c1sc(nc1-c1ccccc1)N1CCOCC1)\C#N
CCOC(=O)C(=Cc1ccc(cc1)N1CCC(=N1)c1ccccc1)C(C)=O |w:6.6,c:17|
Fc1ccc(C=NNC2=Nc3cccc4cccc2c34)cc1 |w:6.6,t:8|
N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
COc1cccc(CN2C(=O)c3cccc(N)c3C2=O)c1
CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c1ccc(Cl)cc1
Clc1cccc(NN=C2C(=O)Nn3c2nc2CCCc2c3=O)c1
Cc1nc(Cl)c2OC3C(=O)CCCC3=Nc2n1 |c:14|
CN(C)CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
CCSc1cc(nc(n1)-c1ccccc1Cl)N1CCCC1
Cc1cc(C)cc(c1)-n1c(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c1=S |w:13.14|
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2c1c(=O)[nH][nH]c2=O
Oc1c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c(=S)n1-c1ccc(Br)cc1 |w:4.4|
COc1ccc(cc1)-c1onc2ccc(Br)cc12
COc1ccc(OC)c(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)c1
COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1OC
Fc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccc(Br)o1 |t:8|
O=C(OCC#C)C(\NC(=O)c1ccccc1)=C\C=C\c1ccccc1
COc1ccc(cc1)C1CC(=NN1c1ccc(C=O)cc1)c1cccs1 |c:11|
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)c(C)n1C |w:4.3|
COc1ccc(cc1)-n1c(C)cc(\C=C2\SC(=S)N(C)C2=O)c1C
CCOC(=O)Cn1c2ccccc2nc(-c2cc(Br)ccc2N)c1=O
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
CC(=O)NN=Cc1cc(cc(C=NNC(C)=O)c1O)C(C)(C)C |w:4.3,12.12|
Fc1ccc(cc1)-c1cc([nH]n1)C(=O)NNC1=c2ccccc2=NC1=O |c:18,25|
CCOC(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2nonc12
NC(=S)n1[n-]c(c(N=[NH+]c2cccc(c2)[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
CCOc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
CCN(CC)CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c1cccc(F)c1)C(=O)CC(C)(C)C2 |c:8,11|
[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]
Oc1ccc(C=NNC(=O)CCN2CCN(CC2)c2ccccc2)c(O)c1O |w:6.6|
CN(C)CCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23
[O-][N+](=O)c1ccc2C(=O)N(CC3CCCO3)C(=O)c3cccc1c23
Cn1cc(\C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc12
S=C(Nc1ccc2nc(-c3ccccn3)c(nc2c1)-c1ccccn1)N1CCCCC1
NC(=S)n1[n-]c(c(N=[NH+]c2cccc(Cl)c2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
Oc1ccc2C=C3C(=O)NC(=O)NC3(O)Oc2c1 |t:5|
CCOc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1c(O)c2ccccc2oc1=O |c:14|
Cc1ccc(cc1[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O |w:7.7|
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)no1
CC(C)c1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccccc1
Clc1ccccc1CN1C(=O)NC(=O)\C(=C/c2ccc[nH]2)C1=O
CCOC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1
CN(C)c1ccnc2sc(C(=O)c3ccc(Br)cc3)c(N)c12
COc1ccccc1NC(=O)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
Cn1cc(C=C2SC(O)=NC2=S)c2ccccc12 |w:4.3,c:8|
CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O |w:7.7|
O=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1
CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)[C-](C#N)c1[nH+]c2ccccc2s1
Cn1c2cccc3c(C=O)ccc(n(C)c1=O)c23
COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Cn1c2cccc3C(=O)c4ccccc4-c(c(NC4CCCCC4)c1=O)c23
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
COC(=O)CN1C(=S)N(C(=O)\C1=C\c1ccc(cc1)N1CCOCC1)c1ccc(OC)cc1
OCCNc1nc(Nc2ccc(Br)cc2)nc2ccccc12
CCCCN1C(=O)C2Cc3c(CN2C1=S)[nH]c1ccccc31
Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Nc1oc2cc(=O)ccc2cc1C(=O)Nc1ccccn1
COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Cc1c(NC2=N\C(=N/C(=O)c3cccs3)c3ccccc23)c(=O)n(-c2ccccc2)n1C |t:4|
Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCC1
CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
[O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccc(Cl)cc1
[O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccccc1Cl
Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O
COc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc12
Cc1cccc(c1)-n1c(=O)[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O
COc1ccc(cc1)\[NH+]=c1/[n-]c(=O)c2cc(ccc2s1)[N+]([O-])=O
Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O
COC(=O)c1cc(nc2ccccc12)N1CCN(C)CC1
Cc1oc2cc(O)ccc2c(=O)c1-c1nncn1-c1ccccc1 |(8.62,2.38,;9.39,1.05,;10.72,1.82,;12.06,1.05,;13.43,1.87,;14.83,1.08,;16.16,1.85,;14.83,-.53,;13.43,-1.32,;12.06,-.49,;10.72,-1.26,;10.72,-2.8,;9.39,-.49,;8.05,-1.26,;7.89,-2.8,;6.39,-3.12,;5.62,-1.78,;6.65,-.64,;5.62,.51,;6.09,1.97,;5.06,3.12,;3.56,2.8,;3.08,1.33,;4.11,.19,)|
Cc1c(NC2=N\C(=N/C(=O)c3ccc(F)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C |t:4|
CCOC(=O)c1oc2cc(OCC(=O)OC)ccc2c(=O)c1-c1ccc(OC)c(OC)c1
[#6]-[#6]-n1c(-[#6])cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1-[#6]
[O-][N+](=O)c1ccc(Sc2cccc3cccnc23)c2cccnc12
CC(C)(C)c1ccc(OCC(=O)Nc2ccc3C(=O)NC(=O)c4cccc2c34)cc1
COC(=O)c1ccccc1NC(=O)Nc1ncccc1C
Cn1cc(Cl)c(n1)C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O
CC(C)c1cc(C=NNC(C)=O)c(O)c(C=NNC(C)=O)c1 |w:7.7,16.16|
Cc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(O)c(c3)[N+]([O-])=O)C2=O)cc1C
COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(c1O)[N+]([O-])=O
Oc1ccc(NC2=NC(=O)C(S2)=C2C(=O)Nc3ccccc23)cc1 |w:12.22,t:6|
CN(C)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6](\C#N)C#N)C([#6])([#6])c2ccccc-12
O=c1ccc2cc3CCCN4CCCc(c34)c2o1
CCCC(=O)NC(Oc1ccc(cc1)C(C)=O)C(Cl)(Cl)Cl
COC(=O)CCCCC1SCC(NC(=O)c2ccccc2)C1Cl
[O-][N+](=O)c1cccc(c1)-c1csc2ncn(CC(=O)NCc3ccco3)c(=O)c12
CCCCN1C(=S)S\C(=C/C=C2\Oc3ccccc3N2CC)C1=O
CCCN1C(=S)S\C(=C\C=C2\N(CC)c3ccccc3C2(C)C)C1=O
CN1Cc2c(CC1(C)C)c(C#N)c(N)n(C)c2=S
Cc1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(C)cc1
[O-][N+](=O)c1ccc2C(=O)N(Cc3cccnc3)C(=O)c3cccc1c23
[#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
COc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:9|
[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc2-[#7]\[#6](=[#6](\[#6](\Cl)=[#6](\Cl)Cl)/[#7+](-[#8-])=O)-c2c1
CCN(CC)c1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1 |(4.41,-7.01,;5.75,-6.24,;5.75,-4.7,;4.41,-3.93,;3.08,-4.7,;7.08,-3.93,;8.41,-4.7,;9.75,-3.93,;9.75,-2.39,;11.08,-1.62,;11.08,-.08,;12.42,.69,;13.75,-.08,;12.42,2.23,;11.08,3,;9.75,2.23,;9.75,.69,;8.41,-.08,;11.85,4.34,;13.39,4.34,;14.16,5.67,;13.39,7.01,;11.85,7.01,;11.08,5.67,;8.41,-1.62,;7.08,-2.39,)|
Cc1ccc(NC(=O)C(C#N)C(=N)C(Cl)(Cl)Cl)nc1
Cc1ccc2oc(=O)c(CC(=O)c3ccccc3)nc2c1
CC(C)CSC1=NSC2=NC(=O)\C(=C/c3coc4ccccc4c3=O)C(=N)N12 |t:5,8|
CCCCOc1ccc(cc1)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
CC(=O)c1ccc(Nc2c3CCCCc3nc3ccccc23)cc1
CCc1nn2c(nc(COc3ccc(\C=C4\C(=O)N=C5SC(C)=NN5C4=N)cc3)cc2=O)s1 |c:22,t:18|
Cc1ccc(CNC(=O)c2ccc(cc2)-n2cccc2)cc1
Cn1c2cccc3C(=O)c4ccccc4-c(c(Nc4ccc(Cl)cc4)c1=O)c23
COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
Cc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:21,t:18|
CCC1=NN2C(S1)=NC(=O)\C(=C\c1cccn1-c1ccc(Br)cc1)C2=N |c:7,t:2|
COc1ccc(cc1OC)\[NH+]=C\c1c[c-](Cc2ccccc2Cl)cc([N+]([O-])=O)c1=O
Cc1cccc(NNC2=c3cc(F)ccc3=NC2=O)c1 |c:8,16|
CCN1CCN(CC(=O)N2N=C(CC2c2ccc(OC)c(OC)c2)c2cccs2)C(=O)C1=O |c:10|
Cc1ccc[n+](c1)-c1[n-]c(=O)sc1C=O
Cc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1
CC(C)(CCl)C(=O)Nc1ccc(OC(F)(F)F)cc1
CC(=NOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1cnccn1 |w:2.2,(11.89,4.02,;12.21,2.52,;11.07,1.49,;9.6,1.96,;8.46,.93,;9.49,-.21,;6.99,1.41,;6.52,2.87,;7.42,4.12,;4.98,2.87,;4.5,1.41,;5.75,.5,;5.75,-1.04,;4.41,-1.81,;3.08,-1.04,;4.41,-3.35,;5.75,-4.12,;7.08,-3.35,;7.08,-1.81,;8.62,-1.81,;13.68,2.04,;14.82,3.07,;16.29,2.6,;16.61,1.09,;15.46,.06,;14,.53,)|
O=C(Nc1nccs1)C(N1CCCC1)c1ccccc1
CN(N1C(=O)c2cccc(N)c2C1=O)c1ncc(cc1Cl)C(F)(F)F
O=Cc1cnc(s1)N1CCCCC1
O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
OC(=O)COn1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccccc1
CCCSCC(=O)Nc1ncc2CCc3ccccc3-c2n1
CN1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1
COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1CC=Nc1cc(C)cc(C)c1 |w:23.25|
[O-][N+](=O)c1ccc(cc1)N1N=C(CC1C#N)c1ccc(cc1)[N+]([O-])=O |c:11|
COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1CC=Nc1ccc(Oc2ccccc2)cc1 |w:22.24|
CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Nc1ccc(N)c(c1)C(O)=O
Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)Nc1ccccn1
Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(cc2)C(O)=O)n1
Cc1cc[n+](cc1C)-c1[n-]c(=O)sc1\C=N\NC(=O)c1ccccc1
OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1
COc1ccc(cc1)-c1cnnc(N=NC=CCc2ccco2)n1 |w:13.13,16.17|
Nc1ccc2nonc2c1[N+]([O-])=O
CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(OCc3cc(=O)n4nc(CC)sc4n3)c(OC)c1)C2=N |c:7,t:2|
COc1ccc(C=NN=C2CC(C)(C)Cc3n[nH]c(=O)cc23)cc1 |w:8.7,6.5|
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1
OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
[O-][N+](=O)c1sccc1SCC(=O)Nc1cc(F)ccc1F
CN(C)C=Nc1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C |w:4.4|
Cc1cc2nc3c(nc2c(c1N)[N+]([O-])=O)[nH]c(=O)[nH]c3=O
[O-][N+](=O)c1sccc1SCC(=O)Nc1cccc(F)c1
CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|
CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c1ccc(cc1)C(F)(F)F)C(=O)N1CCCCCCC1 |c:5|
CC1CCCCC1NC(=O)CN1C(=O)c2cccc(N)c2C1=O
Oc1ccc2C(=O)N(Cc3ccco3)C(=O)c3cccc1c23
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#8]-1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1sc(=CN(C)C)c2=O
CCN(C(C)C)c1ccc(NC=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc23)cc1 |w:11.10|
CN1CCN(CC1)C1=Nc2c(Cl)cc(Cl)c3cccc1c23 |t:8|
Clc1ccccc1OCC(=O)c1ccc[nH]1
CCOC(=O)C(=C\c1cc2ccccc2nc1N1CCCCC1)\C#N
C1CN(CCO1)N=Cc1nc(-c2ccccc2)n2ccccc12 |w:6.6|
COc1cc(cc(OC)c1OC)C1CC(=Nc2ncnn12)c1cccs1 |c:15|
Cc1ccc(\C=C\C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)o1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CN1C(=O)c2cccc(N)c2C1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(cc1)-c1ccncc1)c1ccccc1
CCCCNC(=O)CN1C(=O)c2cccc(N)c2C1=O
c1ccc(cc1)C(=O)c2ccc(cc2O)O
COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
CC(=O)Nc1cccc(c1)C1=Nc2ncnn2C(C1)c1ccco1 |t:11|
COc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
COC(=O)C[n+]1cccc2ccccc12
O=C(COC(=O)c1cccnc1)NC1CCCc2ccccc12
COc1cc(CCC(=O)N2CCN(CC2)c2ncccn2)cc(OC)c1OC
CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2)s1
O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1
Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2Br)cc1
CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O
COc1ccc(NC(=O)CCl)cn1
O=C(NC1CC1)c1cc(nc2ccccc12)-c1ccco1
OC(=O)c1ccccc1C=NNC(=O)c1cc(nc2ccccc12)-c1ccco1 |w:10.11|
COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)nc3sc(C(O)=O)c(C)c23)n1
O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
O=C1N=c2ccccc2=C1NNc1ccccc1 |c:9,t:2|
Cn1c2ccc(N3CCCCC3)c3C(=O)c4ccccc4-c(cc1=O)c23
Cc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
COCCCNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23
COC(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
CCCc1cc(=O)n([nH]1)-c1nc2ccccc2s1
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|
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1ccco1
Cc1ccc2=NC(=O)C(NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)=c2c1 |c:29,t:4|
Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12
CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Cc1c(sc2nc(nc(SCC(=O)Nc3ccccc3OC(F)F)c12)-c1ccc(C)cc1)C(O)=O
OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Clc1ccc2SC3C(=O)CCCC3=Nc2c1 |c:13|
CCC(C)N1CN(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(Cl)cc1
O=C(CSc1nc2ncccc2[nH]1)Nc1ccc2OCOc2c1
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1=O
CCOCCCNc1nc2c(C)cccn2c(=O)c1\C=C1/SC(=S)N(C(C)CC)C1=O
CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
[O-][N+](=O)c1cccc(c1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
Oc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccncc1 |w:10.11|
[O-][N+](=O)c1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
CCN(CC)c1ccc(C=Cc2cc(-c3ccccc3)c3ccccc3n2)cc1
Nc1ccc(N)c2c(O)c3ccccc3c(O)c12
CN(C)c1ccc(C=CC(=O)c2cc(Cl)ccc2O)cc1
CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1
Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;8.01,2.04,;8.01,3.58,;9.34,4.35,;10.68,3.58,;10.68,2.04,;12.01,1.27,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
CN(C)c1ccc(C=NNC(=O)c2cnc3ccccc3c2)cc1 |w:8.8|
BrC1=Cc2cccc3cccc(C1=O)c23 |t:1|
COC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:19|
CN1CCN(CC1)c1[cH-]cc([N+]([O-])=O)[c+]2[n-]o[n+](=O)c12
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C3CC12
COc1ccc(NC=C2c3oc4cc(Cl)c(O)c(Cl)c4c3CCC2=O)cc1 |w:7.6|
Oc1ccc2ccccc2c1N=Nc1ccc(F)cc1 |w:11.12|
COc1cc(ccc1Nc1ccccc1C(O)=O)-c1ccc(Nc2ccccc2C(O)=O)c(OC)c1
Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23
Clc1cc(Cl)c2NCCC(=O)c2c1
Oc1cc2cccc(=O)c(O)c2c(O)c1O
O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1cc2ccccc2o1
Oc1c(C#N)c(C#N)c(O)c2ccccc12
CCN1C(=S)S\C(=C/C2=Cc3ccccc3OC2C)C1=O |t:8|
Brc1ccc(cc1)C(=O)Cc1nc2ccccc2oc1=O
COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|
Nc1ccc2C(=O)c3c(Cl)c(N)ccc3C(=O)c2c1Cl
NC(=O)c1ccc(cc1)N=Nc1c(O)c2ccccc2[nH]c1=O |w:10.11|
[O-][N+](=O)c1ccc(\[NH+]=N\c2ccc(=O)[c-](c2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1
CC(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC
CC1(C)CC(=O)C2=C(C1)OC(=[NH2+])[C-](C#N)[C@@H]2c1ccccc1[N+]([O-])=O |c:6|
CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1
CC(=O)n1c(C=Nc2ccc(Cl)cc2)c(O)c2ccccc12 |w:6.6|
COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccc(C)cc1 |(5.39,5.15,;6.16,3.81,;5.39,2.48,;3.85,2.48,;3.08,1.15,;3.85,-.19,;5.39,-.19,;6.16,1.15,;7.7,1.15,;8.61,-.1,;8.13,-1.56,;10.07,.38,;11.53,-.09,;12.43,1.15,;11.53,2.39,;12.01,3.85,;10.98,5,;13.51,4.17,;14.54,3.02,;16.05,3.34,;16.53,4.8,;15.5,5.95,;13.99,5.63,;10.07,1.92,;8.61,2.39,;8.13,3.86,;12.01,-1.56,;10.98,-2.7,;11.46,-4.17,;12.96,-4.48,;13.44,-5.95,;13.99,-3.34,;13.51,-1.87,)|
Oc1cc([O-])ccc1\C=[NH+]\N1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
OC(=O)\C=C\c1cn(nc1-c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1
NC(=O)c1c(NC(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)sc2CCCCc12
O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
OC1=NC(=S)C(S1)=Cc1c[nH]c2ccccc12 |w:7.8,t:1|
CCn1c2ccccc2c2cc(NC(=O)c3coc(=O)c(Br)c3)ccc12
COc1ccc(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c(OC)c1 |w:7.6|
CC(C)Nc1nc(Cl)nc(n1)N(CN1C(=O)c2ccccc2S1(=O)=O)C#N
O=C1CCCC2=Nc3ccccc3SC12 |t:5|
O=C1Nc2ccc3sc4ccccc4c3c2C1=O
OC(=O)CCC(=O)NCCc1c(\C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)[nH]c2ccccc12
CC(=O)Nc1ccc2nc3c(nc2c1)n(C)c(=O)n(C)c3=O
CCn1c2ccccc2c2cc(NC(=O)c3ccc(=O)oc3)ccc12
Cc1nn(C)cc1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Cc1cc(C=NNC(N)=S)c(O)c(C=NNC(N)=S)c1 |w:5.5,14.14|
COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(F)cc1)C(N)=O)C(C)=O |c:8,10|
CC(C)(C)c1cc[n+](cc1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:17.19|
COc1cc(ccc1-c1ccc(\C=N\NC(=O)c2ccccc2O)o1)[N+]([O-])=O
Cn1c2ccc(Br)c3C(=O)c4ccccc4-c(c(N)c1=O)c23
Clc1ccccc1C(=O)[N-]c1ccc[n+](c1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
Nc1cc2nc3ccccc3nc2cc1N
[O-]c1ccc2[n+]([O-])c3ccc(=O)cc3oc2c1
CCCCn1c(=O)[nH]c2nc3cc(NC(C)=O)ccc3nc2c1=O
O=C(NNC1=c2ccccc2=NC1=O)c1cc(n[nH]1)-c1cccs1 |c:4,11|
COc1ccc(NC(=O)c2sc3nc(ccc3c2N)-c2cccnc2)cc1
C\C=C\C=C\[C@H]1Cc2cc(O)cc(O)c2O1
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1c1cccc(c1)C#N |c:27,t:7,9|
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccccc1 |c:6,33,t:4|
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCc1ccccn1 |c:6,33,t:4|
Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccc(Br)cc1 |(5.39,5.15,;6.16,3.81,;5.39,2.48,;3.85,2.48,;3.08,1.15,;3.85,-.19,;5.39,-.19,;6.16,1.15,;7.7,1.15,;8.61,-.1,;8.13,-1.56,;10.07,.38,;11.53,-.09,;12.43,1.15,;11.53,2.39,;12.01,3.85,;10.98,5,;13.51,4.17,;14.54,3.02,;16.05,3.34,;16.53,4.8,;15.5,5.95,;13.99,5.63,;10.07,1.92,;8.61,2.39,;8.13,3.86,;12.01,-1.56,;10.98,-2.7,;11.46,-4.17,;12.96,-4.48,;13.44,-5.95,;13.99,-3.34,;13.51,-1.87,)|
CN1C(=O)\C(=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c2ccccc12
Cn1cccc1\C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O
OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(CCc1ccccc1)c3=O
Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(CCc1ccccc1)c3=O
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl
COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
CCN(CC)C(=O)CSc1nnc2nnc3cc(OC)ccc3n12
CCN(CC)C(=O)CSc1nnc2nnc3cc(Cl)ccc3n12
O=C1Nc2ccccc2C1=Cc1cnc([nH]1)-c1ccccc1 |w:10.12|
c1ccc(cc1)C2=CC(=O)N3C(=N2)C(=C(N3)C(F)(F)F)c4ccccc4
COc1ccc(NC(=O)NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1
CSc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12
Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1