901 SMILES Strings for Polyunsaturated fatty acid lipoxygenase ALOX15

Compound Name
SMILES String
Brc1ccc(CSc2nccn2-c2ccccc2)cc1
Brc1ccc(cc1)-c1nnc(\N=C2/NC(=O)CS2)s1
Brc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Brc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
C1Sc2ccccc2-c2[nH]c3ccccc3c12
C=CCNC1OC(=NC1C#N)c1cccc2ccccc12 |c:6|
C=CCNc1oc(nc1C#N)-c1cccc2ccccc12
C=CCOC(=O)NS(=O)(=O)Nc1cccc(c1)-c1cc2ccccc2[nH]1
CC(=O)N1CCCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O
CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
CC(=O)NC1OC(=NC1C#N)c1cccc2ccccc12 |c:6|
CC(=O)NCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CC(=O)Nc1oc(nc1C#N)-c1cccc2ccccc12
CC(=O)Oc1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
CC(=O)c1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
CC(=O)n1ccc(n1)C(=O)Nc1ccc(Cl)c(Cl)c1
CC(C(=O)N(O)CCc1ccccc1)c1cccc(OCc2ccccc2)c1
CC(C)(C)Oc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CC(C)(C)c1cc(=O)c2cc(O)c(O)cc2o1
CC(C)(C)c1cc(=O)c2cc(O)ccc2o1
CC(C)(C)c1cc(=O)c2cc3OCOc3cc2o1
CC(C)(C)c1cc(=O)c2ccc(O)cc2o1
CC(C)(C)c1cc(SC(C)(C)Sc2ccc(c(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c2C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C |r|
CC(C)(C)c1cc(SC(C)(C)Sc2ccc(c(OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)c2C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C |r|
CC(C)(C)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CC(C)(C)c1cc(n[nH]1)C(=O)Nc1ccc(F)cc1Cl
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(F)cc3)n(n2)-c2ccc(Cl)nn2)cc1
CC(C)(C)c1ccc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(c1OC[C@H](O)[C@@H](O)CO)C(C)(C)C |r|
CC(C)(C)c1ccc(SC(C)(C)Sc2cc(c(OCC(O)=O)c(c2)C(C)(C)C)C(C)(C)C)c(c1OCC(O)=O)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CC(C)(C)c1oc2ccccc2c(=O)c1O
CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
CC(C)(c1ccc(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
CC(C)COC(=O)NS(=O)(=O)Nc1cccc(c1)-c1cc2ccccc2[nH]1
CC(C)Cc1cc(=O)c2cc(O)ccc2o1
CC(C)Cc1cc(=O)c2cc3OCOc3cc2o1
CC(C)Cc1cc(=O)c2ccc(O)cc2o1
CC(C)Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)Cc1ccccc1
CC(C)Cc1oc2ccccc2c(=O)c1O
CC(C)NC(=O)c1cc2ccc(Cl)cc2[nH]1
CC(C)NC1OC(=NC1C#N)c1cccc2ccccc12 |c:6|
CC(C)Nc1oc(nc1C#N)-c1cccc2ccccc12
CC(C)Oc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CC(C)S(=O)(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1 |r|
CC(C)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C
CC(C)c1cc(=O)c2cc(O)ccc2o1
CC(C)c1cc(=O)c2ccc(O)cc2o1
CC(C)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2C)c1
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccccc2)cc1
CC(C)c1ccc(\C=C2/S\C(NC2=O)=N\c2nnc(C)s2)cc1
CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CC(C)c1oc2ccccc2c(=O)c1O
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
CC(Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
CC(N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
CC(N(O)C(N)=O)c1cc2ccccc2s1
CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C)cc1
CC1(C)C2CC1C(CCOc1ccc(CCC(N)(CO)CO)cc1)CC2 |TLB:7:6:1:4|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C(Cl)C3=C[C@H]21 |r,c:24,t:15|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C=C3C=C21 |r,c:21,t:15,24|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3CC(=O)C(=O)C3=C[C@H]21 |r,c:22|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(O)=O)c3C(=O)[C@H]21 |r|
CC1(C)CCC[C@]2(C)[C@@H]1CCC1=C2CC\C(C1)=C\Cc1cc(ccc1O)C(O)=O |r,c:12|
CC1(C)CCS(=O)(=O)c2cc(ccc12)S(=O)(=O)c1ccc(CN)s1
CC1=C(C)C(=O)C(CC[C@@](C)(O)CCCOCCC[Si](C)(C)C)=C(C)C1=O |r,c:1,t:22|
CC1=C(C)C(=O)C(CC[C@](C)(O)CCCCCCCCC(F)(F)F)=C(C)C1=O |r,c:1,t:23|
CC1=NN(C(=O)C1)c1ccccc1 |t:1|
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
CCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1
CCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCCC(=O)N\N=C\c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCCC=Cc1cc(O)c(O)cc1O |w:5.5|
CCCCCC#CCCOCc1cccc(CCC(O)=O)c1
CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O |w:9.8,7.6|
CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O
CCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
CCCCCCC#CCOCc1cccc(CCC(O)=O)c1
CCCCCCCC#CCOCc1ccc(cc1)C(O)=O
CCCCCCCC(=O)Nc1sc(cc1C(=O)NCCCC)-c1ccccc1
CCCCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
CCCCCCCCC#CCOCc1cccc(CCC(O)=O)c1
CCCCCCCCC#CCSCc1cccc(CCC(O)=O)c1
CCCCCCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCCCCCCCCC#CCOCc1ccc(CC(O)=O)cc1
CCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
CCCCCCCCCCC#CCOCc1ccc(CCCC(O)=O)cc1
CCCCCCCCCCC#CCOCc1ccc(cc1)C(O)=O
CCCCCCCCCCC#CCOCc1cccc(CCC(O)=O)c1
CCCCCCCCCCC=C=CCOCc1ccc(CCC(O)=O)cc1 |(15.31,-23.46,;16.08,-22.13,;15.31,-20.79,;16.08,-19.44,;15.31,-18.11,;16.08,-16.78,;15.31,-15.43,;16.08,-14.1,;15.31,-12.76,;16.08,-11.42,;15.31,-10.09,;13.77,-10.09,;12.23,-10.09,;11.46,-8.76,;9.92,-8.76,;9.15,-7.43,;7.61,-7.43,;6.84,-6.1,;5.28,-6.1,;4.51,-7.43,;2.97,-7.43,;2.2,-8.76,;.66,-8.76,;-.11,-7.43,;-.11,-10.1,;5.28,-8.77,;6.84,-8.77,)|
CCCCCCCCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
CCCCCCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
CCCCCCCCCCCCCCC#CCOCc1ccc(cc1)C(O)=O
CCCCCCCCCCCCCOCc1ccc(CCC(O)=O)cc1
CCCCCCCCCCCCNC(=O)c1cc(sc1N)-c1ccccc1
CCCCCCCCCC\C=C/COCc1ccc(CCC(O)=O)cc1
CCCCCCCCCC\C=C\COCc1ccc(CCC(O)=O)cc1
CCCCCCCCNC(=O)c1cc(sc1N)-c1ccccc1
CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2cc(F)ccc2[nH]1
CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
CCCCCCCCOC(=O)NS(=O)(=O)Nc1cccc(c1)-c1cc2ccccc2[nH]1
CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2 |TLB:26:27:25.24.30:31,30:25:32:28.31.29,30:29:32:26.25.24,THB:26:25:27.32.28:31|
CCCCCCNC(=O)n1cc(C)c(n1)C(=O)Nc1cccc2OC(F)(F)Oc12
CCCCCCNC(=O)n1nc(cc1C)C(=O)Nc1ccc(F)cc1Cl
CCCCCCc1ccc(O)cc1O
CCCCCN1CCN(CC1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
CCCCCNC(=O)c1cc(sc1N)-c1ccccc1
CCCCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
CCCCCNC(=O)n1ccc(n1)C(=O)Nc1ccc(F)cc1Cl
CCCCCNC1OC(=NC1C#N)c1cccc2ccccc12 |c:8|
CCCCCNc1oc(nc1C#N)-c1cccc2ccccc12
CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(O)=O |w:13.12,11.10|
CCCCCc1cc(=O)c2cc(O)ccc2o1
CCCCCc1cc(=O)c2ccc(O)cc2o1
CCCCCc1ccc(cc1)S(=O)(=O)N(C)CCc1c[nH]c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)N1CCC(C1)c1c[nH]c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)NC(=O)Cc1c[nH]c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)NCCCCc1c[nH]c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1c[nH]c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(C)nc1-c1ccc(OC)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(F)cc1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(C)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(Cl)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(OC)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccc(c1)[N+]([O-])=O
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccn1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccnc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccncc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cnccn1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1csc(C)n1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)C(C)(C)C
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)C1CC1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1cccc(OC)c1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccccc1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]cnc1-c1ccc(OC)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(-c2cc3ccccc3o2)n(C)c2ccccc12
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(C)[nH]nc1-c1ccc(OC)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(CC(C)C)[nH]nc1-c1ccc(OC)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(Cc2ccccc2)[nH]nc1-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc(OC)ccc1OC
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(OC)cc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(cc1)C(=O)CC
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc2oc3ccccc3c2c1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cccc(C)c1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cnc2ccccc2c1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1ccc(OC)cc1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccc(OC)c1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1ccccc1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1ccccc1)-c1ccccc1OC
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccc(OC)c1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2cc(ccc12)C(=O)OC
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2cc(ccc12)C(O)=O
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccc(cc12)-c1ccc[nH]1
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CCCCCc1oc2ccccc2c(=O)c1O
CCCCN1CCN(CC1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
CCCCNC(=O)c1c(N)sc(c1C)-c1ccccc1
CCCCNC(=O)c1c(N)sc(c1CCCC)-c1ccc(Cl)cc1
CCCCNC(=O)c1c(N)sc(c1CCCC)-c1ccccc1
CCCCNC(=O)c1cc(CCCCCCCC=C)sc1N
CCCCNC(=O)c1cc(sc1N)-c1ccccc1
CCCCNC(=O)c1cc(sc1NC(=O)CCC)-c1ccccc1
CCCCNC(=O)c1cc(sc1NC(C)=O)-c1ccccc1
CCCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
CCCCNC(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
CCCCNC1OC(=NC1C#N)c1cccc2ccccc12 |c:7|
CCCCNc1oc(nc1C#N)-c1cccc2ccccc12
CCCCc1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
CCCCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(OC)cc1
CCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
CCCNC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@@H](C)CCCC(C)C |r|
CCCNC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@H](C)CCCC(C)C |r|
CCCNC(=O)c1[nH]c2cc(Cl)ccc2c1CN(C)C
CCCNC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccccc1OC
CCCNC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
CCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
CCCNC1OC(=NC1C#N)c1cccc2ccccc12 |c:6|
CCCNc1oc(nc1C#N)-c1cccc2ccccc12
CCCc1cc(=O)c2cc(O)ccc2o1
CCCc1cc(=O)c2ccc(O)cc2o1
CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
CCCc1ccc(\C=C2/S\C(NC2=O)=N\c2nnc(C)s2)cc1
CCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CCCc1oc2ccccc2c(=O)c1O
CCN([C@@H]1CCN(C1)C(C)(C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r|
CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r|
CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1
CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r|
CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r|
CCN([C@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cnccn1)-c1cccs1 |r|
CCNC(=O)N1CCCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
CCNC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccccc1OC
CCNC(=O)c1cc2ccc(Cl)cc2[nH]1
CCNC1OC(=NC1C#N)c1cccc2ccccc12 |c:5|
CCNCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CCNc1oc(nc1C#N)-c1cccc2ccccc12
CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(C)cc2)n(n1)-c1ccc2ccccc2n1
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(C)cc2)n(n1)-c1ccccc1
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(Cl)nn1
CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)cc(C)c2)CC1
CCOC(=O)CCCCCNC(=O)n1ccc(n1)C(=O)Nc1ccc(F)cc1Cl
CCOC(=O)CCCN(O)C(=O)CCCc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)CC
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)CCc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@@H](C)CCCC(C)C |r|
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@H](C)CCCC(C)C |r|
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(C)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(Cl)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(F)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)NC[C@H](C)CCCC(C)C |r|
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(C)=O
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C=O
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCCc1ccc(Cl)cc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCCc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCCc1ccccc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCCc1ccccc1OC
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccc(Cl)cc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccc(OC)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1cccc(OC)c1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccccc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccccc1OC
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CC1CCCC1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CCC(C)C
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CCCOc1ccc(Cl)cc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CCc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CNc1cccc(c1)[N+]([O-])=O
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)COc1ccc(Cl)cc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)COc1ccc(Cl)cc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)COc1ccc(cc1)[N+]([O-])=O
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)COc1cccc2ccccc12
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)COc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)COc1ccccc1Cl
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CSc1nc2ccccc2[nH]1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)Cc1ccc(OC)c(OC)c1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)Cc1cccc(O)c1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)Cc1ccccc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)Cc1cccnc1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)Cc1cccs1
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)c1cc(nn1Cc1cccc(C)c1)C(C)(C)C
CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)n(C)c2ccc(O)cc12
CCOC(=O)c1c2cccccc2c2c(OCC)oc(=O)c(C#N)c12
CCOC(=O)c1cc2ccc(Cl)cc2[nH]1
CCOC(=O)c1ccc(N)[nH]1
CCOC(=O)c1ccc[nH]1
CCOC(=O)c1ccccc1NC(=O)CCCc1ccccc1
CCOCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CCOc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CCOc1ccc(Br)cc1
CCOc1ccc(cc1Cl)C(=O)Nc1ccccc1N1CCCC1
CCOc1ccccc1-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CCS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)C(C)(C)C
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CCc1cc(-c2n[nH]cc2Oc2ccccc2)c(O)cc1O
CCc1cc(=O)c2cc(O)ccc2o1
CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC
CCc1ccc(CSc2nccn2-c2ccccc2)cc1
CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
CCc1ccccc1-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
CCc1oc2ccccc2c(=O)c1O
CN(C(=O)c1ccc(C)cc1O)c1ccc(CCc2ccc(O)c(O)c2)cc1
CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CN(C)C(=O)c1cccc(c1)S(=O)(=O)c1cnc(CN)s1
CN(C)CCN(C)C(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
CN(C)CCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
CN(C)c1ccc(\C=C2/S\C(NC2=O)=N\c2nnc(C)s2)cc1
CN(C)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCc1c[nH]c2ccccc12
CN(C)c1oc(nc1C#N)-c1cccc2ccccc12
CN(CCO)C(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
CN(O)C(=O)CCCCc1ccccc1
CN(O)C(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1
CN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
CN(O)C(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1 |r|
CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1 |r|
CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1 |r|
CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r|
CN1CCN(CC(=O)N2N=C3C(CCC\C3=C/c3ccccc3)C2c2ccccc2)CC1 |c:9|
CN1[C@H]2n3c(Br)c(Br)cc3C(=O)N3CCC[C@]23N=C1N |r,c:20|
CNC(=O)c1cc2ccc(Cl)cc2[nH]1
CNC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CNC(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
CNC1NC(C#N)=C(O1)c1cccc2ccccc12 |c:6|
CNC1NC=C(O1)c1cccc2ccccc12 |c:4|
CNC1NN=C(O1)c1cccc2ccccc12 |c:4|
CNC1NN=C(S1)c1cccc2ccccc12 |c:4|
CNC1OC(=NC1C#N)C1CCCC1 |c:4|
CNC1OC(=NC1C#N)c1c[nH]c2ccccc12 |c:4|
CNC1OC(=NC1C#N)c1ccc(Cl)c(Cl)c1 |c:4|
CNC1OC(=NC1C#N)c1ccc(Cl)cc1 |c:4|
CNC1OC(=NC1C#N)c1ccc(F)cc1 |c:4|
CNC1OC(=NC1C#N)c1ccc(cc1)-c1ccccc1 |c:4|
CNC1OC(=NC1C#N)c1ccc2OCCOc2c1 |c:4|
CNC1OC(=NC1C#N)c1ccc2OCOc2c1 |c:4|
CNC1OC(=NC1C#N)c1ccc2cc[nH]c2c1 |c:4|
CNC1OC(=NC1C#N)c1ccc2ccccc2c1 |c:4|
CNC1OC(=NC1C#N)c1ccc2cnccc2c1 |c:4|
CNC1OC(=NC1C#N)c1cccc(Cl)c1 |c:4|
CNC1OC(=NC1C#N)c1cccc(Cl)c1Cl |c:4|
CNC1OC(=NC1C#N)c1cccc2ccccc12 |c:4|
CNC1OC(=NC1C#N)c1cccc2cnccc12 |c:4|
CNC1OC(=NC1C#N)c1cccc2ncccc12 |c:4|
CNC1OC(=NC1C#N)c1cccc2nccnc12 |c:4|
CNC1OC(=NC1C#N)c1ccccc1-c1ccccc1 |c:4|
CNC1OC(=NC1C(=O)OC)c1cccc2ccccc12 |c:4|
CNC1SC(=NC1C#N)c1cccc2ccccc12 |c:4|
CNC1SC(=NC1C(=O)OC)c1cccc2ccccc12 |c:4|
CNc1nc(C#N)c(o1)-c1cccc2ccccc12
CNc1nc(ccc1C#N)-c1cccc2ccccc12
CNc1ncc(o1)-c1cccc2ccccc12
CNc1nccc(n1)-c1cccc2ccccc12
CNc1nnc(o1)-c1cccc2ccccc12
CNc1nnc(s1)-c1cccc2ccccc12
CNc1oc(nc1C#N)-c1c[nH]c2ccccc12
CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
CNc1oc(nc1C#N)-c1ccc(Cl)cc1
CNc1oc(nc1C#N)-c1ccc(F)cc1
CNc1oc(nc1C#N)-c1ccc(cc1)-c1ccccc1
CNc1oc(nc1C#N)-c1ccc2OCCOc2c1
CNc1oc(nc1C#N)-c1ccc2OCOc2c1
CNc1oc(nc1C#N)-c1ccc2cc[nH]c2c1
CNc1oc(nc1C#N)-c1ccc2ccccc2c1
CNc1oc(nc1C#N)-c1ccc2cnccc2c1
CNc1oc(nc1C#N)-c1cccc(Cl)c1
CNc1oc(nc1C#N)-c1cccc(Cl)c1Cl
CNc1oc(nc1C#N)-c1cccc2ccccc12
CNc1oc(nc1C#N)-c1cccc2cnccc12
CNc1oc(nc1C#N)-c1cccc2ncccc12
CNc1oc(nc1C#N)-c1cccc2nccnc12
CNc1oc(nc1C#N)-c1ccccc1-c1ccccc1
CNc1oc(nc1C#N)C1CCCC1
CNc1oc(nc1C(=O)OC)-c1cccc2ccccc12
CNc1sc(nc1C#N)-c1cccc2ccccc12
CNc1sc(nc1C(=O)OC)-c1cccc2ccccc12
COC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)S(=O)(=O)c1cnc(CN)s1 |r|
COC(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
COC1=CC2=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC2=CC1=O |r,c:24,t:2,4|
COCCNC(=O)c1cc(sc1N)-c1ccccc1
COCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CO[C@H]1C[C@@]2(O)[C@@H](O1)C1=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC1=CC2=O |r,c:29,t:9|
CO[C@H]1[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)Oc2cc(O)c(OC)cc12 |r|
COc1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
COc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1O
COc1cc(C)cc2c(cc(c(O)c12)-c1ccc2c(c(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12 |wU:38.42,52.58,wD:49.55,35.39,(-8.29,-38.12,;-6.96,-37.34,;-6.96,-35.81,;-8.29,-35.04,;-8.29,-33.49,;-9.62,-32.73,;-6.96,-32.73,;-5.63,-33.48,;-4.3,-32.71,;-2.97,-33.47,;-2.96,-35.02,;-4.3,-35.8,;-4.29,-37.34,;-5.63,-35.03,;-1.63,-35.78,;-1.62,-37.32,;-.29,-38.08,;1.03,-37.31,;2.38,-38.07,;3.71,-37.29,;5.05,-38.06,;3.7,-35.74,;2.36,-34.99,;2.34,-33.45,;3.67,-32.66,;1.03,-35.76,;-.31,-35,;-.32,-33.47,;2.38,-39.6,;1.05,-40.38,;-.28,-39.61,;1.06,-41.92,;2.39,-42.68,;2.41,-44.22,;3.73,-41.89,;5.04,-42.65,;5.05,-44.19,;6.36,-41.88,;6.36,-40.35,;7.45,-39.24,;5.03,-39.59,;3.72,-40.36,;-4.31,-31.19,;-2.98,-30.4,;-1.64,-31.17,;-2.99,-28.87,;-4.32,-28.11,;-4.33,-26.57,;-5.65,-28.88,;-7,-28.13,;-7,-26.59,;-8.33,-28.9,;-8.31,-30.45,;-9.64,-31.22,;-6.97,-31.22,;-5.65,-30.42,)|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
COc1cc(CCc2ccc(NC(=O)c3ccc(C)cc3O)cc2)ccc1O
COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O
COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)|
COc1cc(cc(OC)c1OC)-c1nnc(\N=C2/NC(=O)CS2)s1
COc1cc(ccc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 |TLB:15:10:17:13.16.14,15:14:17:11.10.9,11:12:10.9.15:16,THB:11:10:12.17.13:16|
COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
COc1cc2C=C3[C@H](CC[C@H]4C(C)(C)CCC[C@]34C)Oc2cc1O |r,c:5|
COc1cc2ccc(=O)oc2cc1O
COc1cc2oc(=O)ccc2cc1O
COc1ccc(-c2c([nH]c(N)c2C(=O)c2cccc(Cl)c2)C(=O)c2ccccc2)c(OC)c1 |(45,-50.13,;45.01,-51.67,;46.34,-52.44,;46.37,-53.99,;47.71,-54.75,;49.04,-53.98,;50.38,-54.75,;49.89,-56.22,;51.14,-57.13,;52.39,-56.22,;53.8,-57.03,;51.92,-54.75,;53.24,-53.98,;53.24,-52.44,;54.58,-54.74,;54.58,-56.28,;55.92,-57.05,;57.25,-56.27,;57.24,-54.72,;58.57,-53.94,;55.9,-53.96,;48.56,-56.99,;47.23,-56.2,;48.54,-58.53,;47.2,-59.27,;47.19,-60.81,;48.51,-61.6,;49.85,-60.82,;49.86,-59.29,;49.04,-52.44,;50.37,-51.66,;50.36,-50.12,;47.69,-51.67,)|
COc1ccc(-c2cc([nH]n2)-c2ccc(C)cc2)c(O)c1
COc1ccc(CC(=O)N(O)CCc2ccccc2)cc1
COc1ccc(CCCC(=O)N(C)O)cc1
COc1ccc(CCCC(=O)N(O)CCc2ccccc2)cc1
COc1ccc(CCCCc2ccc(O)c(O)c2)cc1
COc1ccc(CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1OC
COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC
COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(O)c2)cc1O |r|
COc1ccc(Cc2sc(nc2O)-c2ccc(Cl)cc2)cc1
COc1ccc(Cl)cc1NC(=O)c1oc2ccccc2c1C
COc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)NCCc2c([nH]c3ccccc23)-c2cc3ccccc3o2)cc1
COc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccc(F)cc1
COc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1
COc1ccc(O)c(c1)-c1cc(n[nH]1)-c1ccccc1Cl
COc1ccc(\C=C2/S\C(NC2=O)=N\c2nnc(C)s2)cc1
COc1ccc(cc1)-c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(C)cc1
COc1ccc(cc1)-c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)-c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(O)=O
COc1ccc(cc1)-c1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
COc1ccc(cc1)-c1cc([nH]n1)-c1cc(OC)ccc1O
COc1ccc(cc1)-c1cc([nH]n1)-c1ccccc1O
COc1ccc(cc1)-c1cc2cc3c(cc2o1)occ(C=O)c3=O
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
COc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
COc1ccc(cc1)-c1coc2cc(OCc3ccccc3)ccc2c1=O
COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)-c1ccccc1
COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)-c1cccs1
COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccccc1Cl)-c1cccs1
COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)c1ccc(C)cc1)-c1ccccc1
COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
COc1ccc(cc1)-c1nnc(\N=C2/NC(=O)CS2)s1
COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
COc1ccc(cc1)C(=O)c1c[nH]nc1-c1cc(C)ccc1O
COc1ccc(cc1)C1COc2c(C1)ccc(O)c2O |w:8.8|
COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 |w:8.8|
COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1=O
COc1ccc(cc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
COc1ccc(cc1)S(=O)(=O)CCNC(=O)c1cccc(c1)S(=O)(=O)c1cnc(CN)s1
COc1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 |TLB:15:10:17:13.16.14,15:14:17:11.10.9,11:12:10.9.15:16,THB:11:10:12.17.13:16|
COc1ccc(cc1NS(=O)(=O)NC(=O)OCC(C)C)-c1cc2cc(F)ccc2[nH]1
COc1ccc(cc1NS(=O)(=O)NC(=O)OCC(C)C)-c1cc2ccccc2[nH]1
COc1ccc(cc1NS(=O)(=O)NC(=O)OCC=C)-c1cc2cc(F)ccc2[nH]1
COc1ccc(cc1NS(=O)(=O)NC(=O)OCC=C)-c1cc2ccccc2[nH]1
COc1ccc(cc1OC)-c1nnc(\N=C2/NC(=O)CS2)s1
COc1ccc(cc1OC)C1COc2c(C1)ccc(O)c2O |w:10.10|
COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)C)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3[nH]2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O
COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1 |r|
COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(F)cc2)o1
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
COc1ccccc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
COc1ccccc1COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
COc1ccccc1N1CCN(CC1)C(=O)CCCCC(=O)N1CCN(CC1)c1ccccc1OC
CS(=O)(=O)CCCCS(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
CS(=O)(=O)NCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccc(F)cc1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1cccnc1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccncc1
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccsc1
CS(=O)(=O)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1cnc(CN)s1
CS(=O)(=O)c1ccc(cc1-c1ccc(F)cc1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccc(cc1-c1ccccc1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccc(s1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1cccc(n1)S(=O)(=O)c1ccc(CN)s1
CS(=O)(=O)c1ccccc1S(=O)(=O)c1ccc(CN)s1
C[C@@H](C[C@H](N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](C)c1nccs1)C(Cl)(Cl)Cl
C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl
C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
C[C@@H](Cc1cc(O)c(O)cc1C(C)=O)[C@H](C)Cc1cc(O)c(O)cc1C(C)=O
C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl
C[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)[C@H](C)Cc1cc(O)c(O)cc1[N+]([O-])=O
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS([O-])(=O)=O)c3cc21 |r|
C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22|
C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:23|
C[Si](C)(C)C#Cc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
C\C(CCC1C(C)=CCCC1(C)C)=C/CCC(CO)CCCc1ccoc1 |c:6|
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
Cc1[nH]c2ccccc2c1C(=O)c1cc(Cc2ccccc2)sc1N
Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Cc1c(Cl)cccc1NC(=O)CSCc1ccccc1
Cc1c(O)ccc2c1occ(-c1ccc(Cl)cc1)c2=O
Cc1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O
Cc1c(O)ccc2c1occ(-c1ccc(cc1)C(F)(F)F)c2=O
Cc1c(O)ccc2c1occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Cc1c(n[nH]c1[Si](C)(C)C)C(=O)Nc1ccc(F)cc1Cl
Cc1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
Cc1cc(C)cc(c1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1Cl
Cc1cc(n[nH]1)C(=O)Nc1ccc(F)cc1Cl
Cc1ccc(-c2c([nH]c(N)c2C(=O)c2cccc(Cl)c2)C(=O)c2ccccc2)c(C)c1 |(65.35,-41.35,;66.69,-42.11,;66.71,-43.67,;68.06,-44.42,;69.38,-43.66,;70.72,-44.42,;70.24,-45.89,;71.48,-46.8,;72.74,-45.89,;74.15,-46.7,;72.26,-44.42,;73.59,-43.65,;73.58,-42.11,;74.93,-44.41,;74.93,-45.95,;76.26,-46.72,;77.6,-45.94,;77.59,-44.4,;78.92,-43.62,;76.25,-43.64,;68.9,-46.66,;67.57,-45.87,;68.89,-48.2,;67.55,-48.94,;67.53,-50.48,;68.86,-51.27,;70.2,-50.5,;70.2,-48.96,;69.38,-42.11,;70.71,-41.33,;68.04,-41.34,)|
Cc1ccc(-c2cc([nH]n2)-c2ccc(F)cc2)c(O)c1
Cc1ccc(-c2cc([nH]n2)-c2cccc(F)c2)c(O)c1
Cc1ccc(-c2cc([nH]n2)-c2ccccc2C)c(O)c1
Cc1ccc(-c2cc([nH]n2)-c2ccccc2Cl)c(O)c1
Cc1ccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1
Cc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1
Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(F)c1
Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C
Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccccc1
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccccc1
Cc1ccc(cc1)-c1cc([nH]n1)-c1ccc(C)cc1O
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Cc1ccc(cc1)-c1cccc(c1)S(=O)(=O)c1cnc(CN)s1
Cc1ccc(cc1)-c1coc2c(C)c(O)ccc2c1=O
Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Cc1ccc(cc1)-c1nnc(\N=C2/NC(=O)CS2)s1
Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O
Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O |w:7.7|
Cc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Cc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Cc1ccc(cc1)S(=O)(=O)Oc1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
Cc1cccc(C)c1-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Cc1cccc(c1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Cc1cccc(c1)-c1coc2c(O)c(O)ccc2c1=O
Cc1cccc(c1)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl |(87.2,-3.98,;85.87,-4.76,;85.88,-6.31,;84.55,-7.08,;83.21,-6.32,;83.21,-4.78,;84.54,-4,;81.88,-4.01,;81.87,-2.47,;80.55,-4.78,;81.03,-6.25,;82.43,-7.07,;79.77,-7.16,;78.52,-6.25,;77.19,-7.02,;75.86,-6.24,;77.17,-8.56,;75.83,-9.31,;75.82,-10.85,;77.15,-11.64,;78.48,-10.86,;78.49,-9.32,;79.01,-4.78,;77.67,-4.02,;76.34,-4.79,;75,-4.03,;74.98,-2.48,;73.64,-1.71,;76.32,-1.71,;77.67,-2.47,;79,-1.7,)|
Cc1cccc(c1)C(N)=NOC(=O)c1ccc(C)cc1Cl |w:9.10|
Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O
Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1 |w:7.7|
Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1=O
Cc1ccccc1-c1cc([nH]n1)-c1ccccc1O
Cc1ccccc1-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Cc1ccccc1-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Cc1nnc(\N=C2/NC(=O)CS2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\C2CCCCC2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\C=C\c2ccccc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2ccc(Br)cc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2ccc(C)cc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2ccc(Cl)cc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2ccc(F)cc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2ccc(O)cc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2cccnc2)s1
Cc1nnc(\N=C2/NC(=O)\C(S2)=C\c2ccsc2)s1
Clc1[nH]nc(c1Cl)-c1nc2ccc(Cl)cc2o1
Clc1c(sc2ccccc12)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Clc1cc(n[nH]1)-c1nc2ccc(Cl)cc2o1
Clc1ccc(Cl)c(NC(=O)c2cn[nH]n2)c1
Clc1ccc(NC(=O)c2cc[nH]n2)cc1Cl
Clc1ccc(NC(=O)c2cc[nH]n2)nc1
Clc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1
Clc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Clc1ccc2cc([nH]c2c1)C(=O)NC1CC1
Clc1ccc2nc(oc2c1)-c1cc[nH]n1
Clc1ccc2oc(nc2c1)-c1cc[nH]n1
Clc1ccccc1NC(=O)c1cc[nH]n1
Clc1ccccc1NC(=O)c1cn[nH]n1
Clc1ccsc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Clc1cnc(NC(=O)c2cc[nH]n2)s1
Clc1sc(C(=O)OCC#CCSc2nnc(o2)-c2cccc3ccccc23)c(Cl)c1Cl
Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Cn1cc(cn1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
FC(F)(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)(F)S(=O)(=O)Oc1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
FC(F)(F)Sc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)(F)c1cc(ccc1Cl)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1
FC(F)(F)c1ccc(NC(=O)c2cc[nH]n2)cc1
FC(F)(F)c1ccc(N\N=C\c2coc3c4cc(oc4ccc3c2=O)-c2ccc(Cl)cc2)cc1
FC(F)(F)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)(F)c1cccc(c1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)c1[nH]nc(C(=O)Nc2ccc(F)cc2Cl)c1Cl
FC(F)c1cc(n[nH]1)C(=O)Nc1ccc(F)cc1Cl
Fc1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
Fc1cc(cc(F)c1F)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc(C(=O)OCC#CCSc2nnc(o2)-c2cccc3ccccc23)c(F)c1
Fc1ccc(COCC#CCSc2nnc(o2)-c2cccc3ccccc23)cc1
Fc1ccc(NC(=O)c2cc(Cl)[nH]n2)c(Cl)c1
Fc1ccc(NC(=O)c2cc(I)[nH]n2)c(Cl)c1
Fc1ccc(NC(=O)c2cc([nH]n2)C(F)(F)F)c(Cl)c1
Fc1ccc(NC(=O)c2cc[nH]n2)c(Cl)c1
Fc1ccc(NC(=O)c2cc[nH]n2)c(c1)C(F)(F)F
Fc1ccc(NC(=O)c2cc[nH]n2)cc1
Fc1ccc(NC(=O)c2cc[nH]n2)nc1
Fc1ccc(NC(=O)c2ccn(n2)C(=O)Nc2ccc3OCOc3c2)c(Cl)c1
Fc1ccc(NC(=O)c2ccn(n2)C(=S)Nc2ccc3OCOc3c2)c(Cl)c1
Fc1ccc(NC(=O)c2ccn(n2)S(=O)(=O)c2cccc(c2)C(F)(F)F)c(Cl)c1
Fc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1
Fc1ccc(NC(=O)c2cn[nH]n2)cc1
Fc1ccc(NC(=O)c2cn[nH]n2)nc1
Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Br)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Cl)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]c(c2C(F)(F)F)C(F)(F)F)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]c(c2Cl)C(F)(F)F)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]cc2Br)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]cc2C(F)(F)F)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]cc2Cl)c(Cl)c1
Fc1ccc(NC(=O)c2n[nH]cc2I)c(Cl)c1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cc2ccccc2[nH]1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc(F)cc1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc(F)c1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ncccc12
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccccc1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccccc1Cl
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccccc1F
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccco1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccs1
Fc1ccc(cc1)C(=O)OCCCCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc(cc1)C(=O)OC\C=C\CSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc(cc1)C(=O)OCc1ccc(CSc2nnc(o2)-c2cccc3ccccc23)cc1
Fc1ccc(cc1F)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc2cc(NC(=O)c3cn[nH]n3)cnc2c1
Fc1ccc2nc(oc2c1)-c1cc[nH]n1
Fc1ccc2oc(nc2c1)-c1cc[nH]n1
Fc1cccc(c1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccccc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ncccc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
N#CC1N=C(OC1NC1CNC1)c1cccc2ccccc12 |c:3|
N#CC1N=C(OC1NC1COC1)c1cccc2ccccc12 |c:3|
N#CC1N=C(OC1NCc1ccccc1)c1cccc2ccccc12 |c:3|
N#CC1N=C(OC1Nc1ccccc1)c1cccc2ccccc12 |c:3|
N#Cc1ccn2c(c(c(Cc3ccccc3)c2c1)-c1ccccc1)-c1ccccc1
N#Cc1ccn2c(c(c(OCOCc3ccccc3)c2c1)-c1ccccc1)-c1ccccc1
N#Cc1ccn2c(c(cc2c1)-c1ccccc1)-c1ccccc1
N#Cc1nc(oc1NC1CNC1)-c1cccc2ccccc12
N#Cc1nc(oc1NC1COC1)-c1cccc2ccccc12
N#Cc1nc(oc1NCc1ccccc1)-c1cccc2ccccc12
N#Cc1nc(oc1Nc1ccccc1)-c1cccc2ccccc12
NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl |(38.88,-16.79,;37.54,-16.02,;37.53,-14.48,;36.21,-16.79,;36.69,-18.26,;38.1,-19.08,;35.43,-19.17,;34.18,-18.26,;32.85,-19.03,;31.52,-18.24,;32.84,-20.57,;31.49,-21.32,;31.48,-22.85,;32.81,-23.64,;34.15,-22.87,;34.15,-21.33,;34.67,-16.79,;33.33,-16.03,;32.01,-16.79,;30.66,-16.04,;30.64,-14.48,;29.3,-13.72,;31.99,-13.71,;33.33,-14.48,;34.66,-13.71,)|
NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
NC1OC(=NC1C#N)c1cccc2ccccc12 |c:3|
NCc1cc(cs1)S(=O)(=O)c1ccc2ccccc2c1
NCc1ccc(s1)S(=O)(=O)C1CCCCC1
NCc1ccc(s1)S(=O)(=O)Cc1ccccc1
NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)N1CCCC1)C(F)(F)F
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)C(=O)NCCO
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN1CCCC1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN=[N+]=[N-]
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCC1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCNCC1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCNCC1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCNC(=O)c1ccccc1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCc1ccccc1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
NCc1ccc(s1)S(=O)(=O)c1ccc2ccccc2c1
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)-c1ccccc1
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1 |r|
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CO |r|
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1COC(=O)Nc1ccc(F)cc1 |r|
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1COCc1ccccc1 |r|
NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r|
NCc1ccc(s1)S(=O)(=O)c1cccc2ccccc12
NCc1ccc(s1)S(=O)(=O)c1ccccc1
NCc1ccc(s1)S(=O)(=O)c1ccccc1Br
NCc1ccc(s1)S(=O)(=O)c1ccccn1
NCc1ccc(s1)S(=O)(=O)c1cccs1
NCc1ccc(s1)S(=O)c1ccccc1
NCc1cnc(s1)S(=O)(=O)c1ccc2ccccc2c1
NCc1ncc(s1)S(=O)(=O)c1ccc2ccccc2n1
NCc1ncc(s1)S(=O)(=O)c1cccc(c1)C(=O)NCCO
NNC(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Nc1[nH]c(C(=O)c2ccc(Cl)cc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(Cl)cc1Cl |(37.97,-47.84,;36.56,-47.03,;35.3,-47.94,;34.05,-47.03,;32.72,-47.8,;31.39,-47.01,;32.71,-49.34,;31.36,-50.09,;31.35,-51.62,;32.68,-52.41,;32.67,-53.95,;34.02,-51.64,;34.02,-50.1,;34.54,-45.56,;36.08,-45.56,;37.41,-44.79,;37.4,-43.25,;38.74,-45.55,;38.75,-47.09,;40.08,-47.86,;41.41,-47.09,;41.4,-45.54,;42.73,-44.76,;40.07,-44.78,;33.2,-44.8,;31.88,-45.56,;30.53,-44.81,;30.51,-43.25,;29.17,-42.49,;31.86,-42.48,;33.2,-43.25,;34.53,-42.48,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1ccc(Cl)c(Cl)c1)-c1c(F)cccc1F |(1.16,-6.42,;1.89,-5.43,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;3.91,-3.97,;3.43,-5.43,;4.32,-6.68,;5.55,-6.56,;3.69,-8.09,;4.59,-9.34,;3.95,-10.74,;2.42,-10.89,;1.91,-12.02,;1.52,-9.64,;.29,-9.76,;2.16,-8.24,;5.37,-3.49,;6.43,-4.61,;6.08,-5.79,;7.93,-4.25,;8.36,-2.77,;7.3,-1.66,;5.8,-2.02,;4.95,-1.13,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1ccc(Cl)c(Cl)c1)-c1ccc(Cl)cc1Cl |(1.16,-6.42,;1.89,-5.43,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;3.91,-3.97,;3.43,-5.43,;4.32,-6.68,;5.55,-6.56,;3.69,-8.09,;4.59,-9.34,;3.95,-10.74,;2.42,-10.89,;1.91,-12.02,;1.52,-9.64,;.29,-9.76,;2.16,-8.24,;5.37,-3.49,;6.43,-4.61,;7.93,-4.25,;8.36,-2.77,;9.56,-2.48,;7.3,-1.66,;5.8,-2.02,;4.95,-1.13,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1ccc(Cl)c(Cl)c1)-c1ccc2ccccc2c1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1ccc(Cl)c(Cl)c1)-c1cccc2ccccc12 |(68.19,-19.47,;66.78,-18.66,;65.53,-19.57,;64.28,-18.66,;62.95,-19.43,;61.62,-18.64,;62.93,-20.97,;61.59,-21.71,;61.58,-23.25,;62.91,-24.04,;64.24,-23.26,;64.25,-21.73,;64.76,-17.19,;66.3,-17.19,;67.63,-16.42,;67.62,-14.89,;68.96,-17.19,;68.97,-18.73,;70.3,-19.49,;71.63,-18.72,;72.97,-19.48,;71.62,-17.17,;72.95,-16.39,;70.29,-16.41,;63.43,-16.43,;62.1,-17.2,;60.76,-16.44,;60.74,-14.89,;62.08,-14.12,;62.08,-12.58,;63.41,-11.8,;64.75,-12.57,;64.75,-14.11,;63.43,-14.89,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(25.57,-7.6,;24.16,-6.78,;22.9,-7.69,;21.66,-6.78,;20.32,-7.55,;18.99,-6.76,;20.31,-9.09,;18.97,-9.84,;18.95,-11.38,;20.28,-12.16,;21.62,-11.39,;21.62,-9.85,;22.14,-5.31,;23.68,-5.31,;25.01,-4.54,;25,-3,;26.35,-5.3,;26.35,-6.85,;27.68,-7.61,;29.02,-6.84,;30.35,-7.6,;29.01,-5.29,;27.67,-4.53,;20.8,-4.55,;19.48,-5.31,;18.13,-4.56,;18.11,-3,;16.78,-2.24,;19.46,-2.24,;20.8,-3,;22.13,-2.23,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Br)c1)-c1ccc(Cl)cc1Cl |(53.55,-6.94,;52.14,-6.13,;50.88,-7.04,;49.63,-6.13,;48.3,-6.9,;46.97,-6.11,;48.29,-8.44,;46.94,-9.18,;46.93,-10.72,;48.26,-11.51,;49.59,-10.74,;49.6,-9.2,;50.12,-4.66,;51.66,-4.66,;52.99,-3.89,;52.98,-2.35,;54.32,-4.65,;54.33,-6.19,;55.66,-6.96,;56.99,-6.18,;56.98,-4.64,;58.31,-3.86,;55.65,-3.88,;48.78,-3.9,;47.46,-4.66,;46.11,-3.91,;46.09,-2.35,;44.75,-1.59,;47.44,-1.58,;48.78,-2.35,;50.11,-1.57,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(Cl)c(Cl)c1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(Cl)cc1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(Cl)cc1Cl |(39.54,-7.37,;38.13,-6.56,;36.87,-7.47,;35.62,-6.56,;34.29,-7.33,;32.96,-6.54,;34.28,-8.87,;32.93,-9.61,;32.92,-11.15,;34.25,-11.94,;35.59,-11.16,;35.59,-9.63,;36.11,-5.09,;37.65,-5.09,;38.98,-4.32,;38.97,-2.78,;40.32,-5.08,;40.32,-6.62,;41.65,-7.39,;42.99,-6.61,;42.98,-5.06,;44.3,-4.28,;41.64,-4.31,;34.77,-4.32,;33.45,-5.09,;32.1,-4.33,;32.08,-2.78,;30.74,-2.02,;33.43,-2.01,;34.77,-2.78,;36.1,-2,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(F)cc1F |(42.14,-45.4,;40.73,-44.58,;39.47,-45.49,;38.22,-44.58,;36.89,-45.35,;35.56,-44.56,;36.88,-46.89,;35.53,-47.64,;35.52,-49.18,;36.85,-49.96,;38.19,-49.19,;38.19,-47.65,;38.71,-43.11,;40.25,-43.11,;41.58,-42.34,;41.57,-40.8,;42.91,-43.1,;42.92,-44.65,;44.25,-45.41,;45.58,-44.64,;45.57,-43.09,;46.9,-42.31,;44.24,-42.33,;37.37,-42.35,;36.05,-43.11,;34.7,-42.36,;34.68,-40.8,;33.34,-40.04,;36.03,-40.03,;37.37,-40.8,;38.7,-40.03,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(O)cc1O |(58.21,-44.94,;56.81,-44.12,;55.55,-45.03,;54.3,-44.12,;52.97,-44.89,;51.64,-44.11,;52.95,-46.43,;51.61,-47.18,;51.6,-48.72,;52.93,-49.51,;54.26,-48.73,;54.27,-47.19,;54.79,-42.65,;56.33,-42.65,;57.66,-41.88,;57.65,-40.34,;58.99,-42.65,;58.99,-44.19,;60.33,-44.95,;61.66,-44.18,;61.65,-42.63,;62.98,-41.85,;60.32,-41.87,;53.45,-41.89,;52.12,-42.66,;50.78,-41.9,;50.76,-40.35,;49.42,-39.58,;52.1,-39.58,;53.45,-40.34,;54.78,-39.57,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc(cc1)-c1ccccc1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccc2OCOc2c1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1cccc(Cl)c1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccccc1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccccc1Cl |(11.18,-46.16,;9.77,-45.34,;8.51,-46.25,;7.26,-45.34,;5.93,-46.11,;4.6,-45.32,;5.91,-47.65,;4.57,-48.4,;4.56,-49.94,;5.89,-50.73,;7.22,-49.95,;7.23,-48.41,;7.75,-43.87,;9.29,-43.87,;10.62,-43.1,;10.61,-41.56,;11.95,-43.86,;11.95,-45.41,;13.29,-46.17,;14.62,-45.4,;14.61,-43.85,;15.94,-43.07,;13.28,-43.09,;6.41,-43.11,;5.08,-43.88,;3.74,-43.12,;3.72,-41.57,;5.06,-40.8,;6.41,-41.56,;7.74,-40.79,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1cccnc1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(Cl)c1)-c1ccncc1
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccc(F)c1)-c1ccc(Cl)cc1Cl |(67.68,-6.67,;66.27,-5.86,;65.01,-6.77,;63.76,-5.86,;62.43,-6.63,;61.1,-5.84,;62.42,-8.17,;61.07,-8.91,;61.06,-10.45,;62.39,-11.24,;63.73,-10.46,;63.73,-8.93,;64.25,-4.39,;65.79,-4.39,;67.12,-3.62,;67.11,-2.08,;68.45,-4.38,;68.46,-5.92,;69.79,-6.69,;71.12,-5.91,;71.11,-4.36,;72.44,-3.58,;69.78,-3.61,;62.91,-3.62,;61.59,-4.39,;60.24,-3.63,;60.22,-2.08,;58.88,-1.32,;61.57,-1.31,;62.91,-2.08,;64.24,-1.3,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1ccccc1)-c1ccc(Cl)cc1Cl |(10.83,-21.41,;9.42,-20.6,;8.17,-21.5,;6.92,-20.6,;5.58,-21.36,;4.26,-20.58,;5.57,-22.9,;4.23,-23.65,;4.21,-25.19,;5.54,-25.98,;6.88,-25.2,;6.89,-23.67,;7.4,-19.12,;8.94,-19.12,;10.27,-18.35,;10.27,-16.81,;11.61,-19.12,;11.61,-20.66,;12.95,-21.42,;14.28,-20.65,;14.27,-19.1,;12.93,-18.34,;6.07,-18.36,;4.74,-19.13,;3.4,-18.37,;3.37,-16.82,;2.04,-16.05,;4.72,-16.05,;6.06,-16.81,;7.4,-16.04,)|
Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)c1cccs1)-c1ccc(Cl)cc1Cl |(24.46,-20.25,;23.05,-19.44,;21.79,-20.35,;20.54,-19.44,;19.21,-20.21,;17.88,-19.42,;19.2,-21.75,;17.85,-22.49,;17.84,-24.03,;19.17,-24.82,;20.51,-24.04,;20.51,-22.51,;21.03,-17.97,;22.57,-17.97,;23.9,-17.2,;23.89,-15.66,;25.24,-17.96,;25.41,-19.48,;26.92,-19.79,;27.68,-18.46,;26.64,-17.32,;19.69,-17.2,;18.37,-17.97,;17.02,-17.21,;17,-15.66,;15.66,-14.9,;18.35,-14.89,;19.69,-15.66,;21.02,-14.88,)|
Nc1[nH]c(cc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Nc1[nH]c(cc1C(=O)c1cccc(Cl)c1)C(=O)c1ccccc1
Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
Nc1cc(n[nH]1)C(=O)Nc1ccc(F)cc1Cl
Nc1oc(nc1C#N)-c1cccc2ccccc12
Nc1sc(cc1C(=O)NCC#C)-c1ccccc1
Nc1sc(cc1C(=O)NCC=C)-c1ccccc1
Nc1sc2CCCCc2c1C(=O)Nc1cccc(Cl)c1
O=C(COc1ccccc1)NC(=S)Nc1ccc(Cc2ccncc2)cc1
O=C(CSc1nnc2ccc3ccccc3n12)NCCc1ccccc1
O=C(NC1CCCCC1)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
O=C(NCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccs1
O=C(NCCc1ccccc1)c1cccc(n1)C(=O)NCCc1ccccc1
O=C(NCc1ccccc1)c1cccc(COc2ccc3CCCc3c2)c1
O=C(Nc1cc2ccccc2cn1)c1cc[nH]n1
O=C(Nc1ccc2ccccc2n1)c1cc[nH]n1
O=C(Nc1ccc2ncccc2c1)c1cc[nH]n1
O=C(Nc1ccccc1)c1cc[nH]n1
O=C(Nc1ccccc1)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
O=C(Nc1ccccc1)c1cn[nH]n1
O=C(Nc1ccccn1)c1cc[nH]n1
O=C(Nc1cnc2ccccc2c1)c1cc[nH]n1
O=C(Nc1cnc2ccccc2c1)c1cn[nH]n1
O=C(OCC#CCNc1nnc(o1)-c1cccc2ccccc12)c1cccs1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)C1CC1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)C1CCC1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)C1CCCC1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2o1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccc2ccccc2c1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccc2[nH]ccc12
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccccc1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccco1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccs1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccsc1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cnc[nH]1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1csc2ccccc12
O=C(c1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1)c1ccccc1
O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O
O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
O=C1CCN(N1)c1ccccc1
O=C1CS\C(N1)=N\c1nnc(s1)-c1ccccc1
O=Cc1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
O=S(=O)(NCCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1)c1ccc(cc1)-c1ccccc1
O=S(=O)(NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1)c1ccc(cc1)-c1ccncc1
O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
O=c1cc(oc2cc3OCOc3cc12)-c1ccccc1
OC(=O)CCc1ccc(COCC#CCCCCc2ccccc2)cc1
OC(=O)CCc1cccc(COCC#CCCCCCc2ccccc2)c1
OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
OC(=O)c1cccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1O
OC(=O)c1ccccc1-c1cccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1O
OC(c1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1)c1ccccc1
OCC#CCSc1nnc(o1)-c1cccc2ccccc12
OC[C@@H]1[C@H](CO[C@@H]1c1ccc(O)c(O)c1)[C@H](O)c1ccc(O)c(O)c1
OCc1c(c(-c2ccccc2)n2ccc(cc12)C#N)-c1ccccc1
OCc1ccc(Br)cc1
ON(CCCCC(O)=O)C(=O)Cc1ccc(OCc2ccccc2)cc1
ON(CCCc1ccccc1)C(=O)CCc1ccccc1
ON(CCCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
ON(CCc1ccccc1)C(=O)CCCc1ccccc1
ON(CCc1ccccc1)C(=O)CCOc1ccccc1
ON(CCc1ccccc1)C(=O)COc1ccccc1
ON(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
ON(Cc1ccccc1)C(=O)CCCCc1ccccc1
ON(Cc1ccccc1)C(=O)CCCc1ccccc1
ONC(=O)CCCc1ccccc1
ONC(=O)Cc1ccc(OCc2ccccc2)cc1
Oc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Oc1c(Br)cc(Br)c(Br)c1Oc1ccc(Br)cc1Br
Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)cc1Br
Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Oc1c(Br)cccc1Br
Oc1c(Cl)cc(Cl)c2cccnc12
Oc1c(Cl)cc(cc1Cl)C(C(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Oc1c(Oc2ccc(Br)cc2Br)cc(Br)c(Br)c1Br
Oc1c(oc2ccccc2c1=O)-c1ccccc1
Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Oc1cc(Br)c(Br)c2Oc3c(Br)cc(Br)cc3Oc12
Oc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1Br
Oc1cc(Br)cc2Oc3c(Br)cc(Br)cc3Oc12
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Oc1cc(O)c2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Oc1cc(OCc2ccccc2)cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c12
Oc1cc2CC(COc2cc1O)c1ccc2OCOc2c1 |w:5.13|
Oc1cc2CCCC(c3ccccc3)c2cc1O |w:7.7|
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Oc1cc2occ(-c3ccc(Cl)cc3)c(=O)c2cc1O
Oc1cc2occ(-c3ccc(c(O)c3)[N+]([O-])=O)c(=O)c2cc1O
Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Oc1cc2occ(-c3ccc4OCOc4c3)c(=O)c2cc1O
Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O
Oc1ccc(Br)cc1
Oc1ccc(Br)cc1-c1cc([nH]n1)-c1ccccc1
Oc1ccc(Br)cc1-c1cc([nH]n1)-c1ccccc1Cl
Oc1ccc(Br)cc1Br
Oc1ccc(Br)cc1Oc1c(O)ccc(Br)c1Br
Oc1ccc(C(=O)Cc2ccc3ccccc3c2)c(O)c1
Oc1ccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1
Oc1ccc(CCCCc2ccc(Cl)c(Cl)c2)cc1O
Oc1ccc(CCCCc2ccc(Cl)cc2)cc1O
Oc1ccc(CCCCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O
Oc1ccc(CCCCc2ccccc2)cc1O
Oc1ccc(CCCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(Oc3cc(CC(N=O)C(=O)NC=Cc4ccc(O)c(Br)c4)cc(Br)c3O)c(Br)c2)N=O)cc1Br |w:29.29|
Oc1ccc(CCc2ccc(NC(=O)c3c(O)ccc4ccccc34)cc2)cc1O
Oc1ccc(CCc2ccc(NC(=O)c3cc(Br)ccc3O)cc2)cc1O
Oc1ccc(CCc2ccc(NC(=O)c3ccc(Cl)cc3O)cc2)cc1O
Oc1ccc(CCc2ccc(NC(=O)c3ccc(cc3O)-c3ccccc3)cc2)cc1O
Oc1ccc(CCc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)cc1O
Oc1ccc(CCc2ccc(NC(=O)c3cccc(Cl)c3O)cc2)cc1O
Oc1ccc(CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(Cc2ccc3ccccc3c2)c(O)c1
Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1ccccc1Cl
Oc1ccc(NC(=O)CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(NC(=O)CCc2cccc(NC(=O)c3ccccc3O)c2)cc1O
Oc1ccc(NC(=O)Nc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(NC(=O)\C=C\c2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(NC(=O)c2ccc(NCc3ccccc3O)cc2)cc1O
Oc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCCCCCCCn2ccnc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCCc2cccnc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Oc1ccc(c(O)c1)-c1cccc2Sc3ccccc3Sc12
Oc1ccc(c(O)c1)-c1ccccc1
Oc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Oc1ccc(cc1)-c1nnc(\N=C2/NC(=O)CS2)s1
Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1=O
Oc1ccc(cc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(O)c1
Oc1ccc(cc1O)[C@H]1OC(=O)[C@H]2[C@@H]1CO[C@@H]2c1ccc(O)c(O)c1
Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Oc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O
Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Oc1ccc2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
Oc1ccc2c(occ(-c3ccc(Cl)cc3)c2=O)c1O
Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Oc1ccc2c(occ(-c3cccc(c3)C(F)(F)F)c2=O)c1O
Oc1ccc2c(occ(-c3ccccc3)c2=O)c1O
Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Oc1cccc(Br)c1
Oc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
Oc1ccccc1-c1cc([nH]n1)-c1ccccc1
Oc1ccccc1-c1cc([nH]n1)-c1ccccc1Cl
Oc1ccccc1-c1cc([nH]n1)-c1ccco1
Oc1ccccc1-c1cc[nH]n1
Oc1ccccc1-c1nnc(\N=C2/NC(=O)CS2)s1
Oc1ccccc1Br
[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cc(sc1-[#7])-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#6]-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@H]12 |r,c:27|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc(=O)oc2ccccc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6](-[#6])-[#6]-1=O |c:21,t:27|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]([#6])([#8])[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6](-[#6])-[#6]-1=O |c:21,t:27|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2ccccc2oc1=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc(=O)ccc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2ccc(=O)oc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2oc(=O)ccc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc(=O)oc2ccccc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2ccccc2oc1=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc(=O)ccc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2ccc(=O)oc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2oc(=O)ccc12
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6]-1/[#6]-[#8]-[#6]-1)=[#6]/[#6]-[#6][C@@]([#6])([#8])[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6](-[#6])-[#6]-1=O |r,c:23,t:29|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\F)F)=[#6]/[#6]-[#6][C@@]([#6])([#8])[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6](-[#6])-[#6]-1=O |r,c:16,t:22|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\F)F)=[#6]/[#6]-[#6][C@]([#6])([#8])[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6](-[#6])-[#6]-1=O |r,c:16,t:22|
[H][C@@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
[H][C@@]1(CCN(Cc2ccccc2)C1)NS(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C |t:16|
[H][C@]1(CCN(C1)C(C)(C)c1ccccc1)N(CC)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
[H][C@]1(CCN(C1)C(C)c1ccc(F)cc1)N(CC)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
[H][C@]1(CCN(C1)c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
[H][C@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
[H][C@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
[H][C@]1(CCN(Cc2ccccc2)C1)NS(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
[I-].C[n+]1cn(\N=C\c2ccccc2)c2ccccc12
[O-][N+](=O)c1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
[O-][N+](=O)c1cc(n[nH]1)C(=O)Nc1ccc(F)cc1Cl
[O-][N+](=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(nc2c1)N1C(=O)c2ccccc2C1=O
c1c(n[nH]c1-c1ccccc1)-c1ccccc1
c1c2ccccn2c2cc-3c(n[n+]12)-c1cccc2cccc-3c12
c1cc(n[nH]1)-c1nc2ccccc2o1
c1cc2ccccn2c1