4078 SMILES Strings for Polyunsaturated fatty acid 5-lipoxygenase

Compound Name
SMILES String
CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccccc1
CCOC(=O)c1c(N2CCN(CC2)c2ccccc2)n(C)c2ccc(OC)cc12
CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(F)cc1
CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(Cl)cc1
CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1
CCOC(=O)c1c(Nc2ccccc2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(Nc2ccc(C)cc2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
CC(Nc1[nH]c2ccc(O)cc2c1C#N)c1ccccc1
CCOC(=O)c1c([nH]c2ccc(O)cc12)N(CC=C)CC=C
CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(Nc2cccnc2)[nH]c2ccc(O)cc12
CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
CCOC(=O)CSc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1
OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
CCOC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
CCOC(=O)C(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1
CCOC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1ccccc1
CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)OCC
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC
Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl
COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccccc12
COC(=O)c1c(Nc2ccccc2Cl)[nH]c2ccccc12
COC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2ccccc12
COC(=O)c1c(Nc2cccc(F)c2)[nH]c2ccccc12
COC(=O)c1c(Nc2cccc(Br)c2)[nH]c2ccccc12
COC(=O)c1c(NCc2ccccc2)[nH]c2ccccc12
COC(=O)c1c(NCC=C)[nH]c2ccccc12
COC(=O)c1c([nH]c2ccccc12)N(CC=C)CC=C
COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(Cl)cc12
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(O)cc12
CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccc(O)cc12
CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1cccc(Cl)c1
CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccc(Cl)cc1
CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(CCc2ccccc2)[nH]c2ccc(O)cc12
CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccc(F)cc2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccc(Br)cc2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2cccc(OC)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccc(OC)cc2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccc(cc2)C(F)(F)F)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1
CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2ccc(Cl)cc2)n(Cc2ccccc2)c2c1cc(O)c1ccccc21
Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3cccc(Cl)c3)[nH]c2c2ccccc12
Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c2ccccc12
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc21
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ncccc21
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccccc1
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccc(cc1)-c1ccccc1
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(OC(=O)c1ccccc1)c1ccccc21
CCOC(=O)c1c(Cc2cccc(Cl)c2)n(C)c2c1cc(OC)c1ccccc21
CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(-c1ccccc1)c1ccccc21
CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
CC(N(O)C(N)=O)c1cc2ccccc2s1
Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(Br)cc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(cc2)N(=O)=O)cc1
Oc1ccc(Nc2nc(cs2)-c2ccccc2F)cc1
Oc1ccc(Nc2nc(cs2)-c2cccc(F)c2)cc1
Oc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1
Oc1ccc(Nc2nc(cs2)-c2cc(Cl)ccc2Cl)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(F)cc2F)cc1
Oc1c(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1Cl
Cc1cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc(C)c1O
Cc1cc(Nc2nc(cs2)-c2ccc(F)cc2)cc(Cl)c1O
Oc1c(Cl)cc(Nc2nc(cs2)-c2ccc(F)cc2)cc1Cl
Cc1cc(Nc2nc(cs2)-c2ccc(F)cc2)c(C)cc1O
Nc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Nc1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1
Nc1ccc(Nc2nc(cs2)-c2ccc(Br)cc2)cc1
Nc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Nc1ccc(Nc2nc(cs2)-c2ccc(cc2)N(=O)=O)cc1
Nc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1
Nc1ccc(Nc2nc(cs2)-c2cc(Cl)ccc2Cl)cc1
Nc1ccc(Nc2nc(cs2)-c2ccc(F)cc2F)cc1
Fc1ccccc1N1CCN(CC1)C(=O)c1[nH]nc-2c1CSc1sc(Br)cc-21
FC(F)(F)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]nc-2c1CSc1sc(Br)cc-21
Brc1cc-2c(SCc3c-2n[nH]c3C(=O)N2CCN(Cc3ccccc3)CC2)s1
c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O
COc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Cc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Oc1cc2occ(-c3ccccc3)c(=O)c2cc1O
Oc1cc2occ(-c3ccc(Cl)cc3)c(=O)c2cc1O
Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O
Oc1cc2occ(-c3cccc(F)c3)c(=O)c2cc1O
Cc1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O
Cc1ccc(cc1)-c1coc2c(C)c(O)ccc2c1=O
Cc1c(O)ccc2c1occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Cc1c(O)ccc2c1occ(-c1cccc(c1)C(F)(F)F)c2=O
Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Cc1cccc(c1)-c1coc2c(O)c(O)ccc2c1=O
Oc1ccc2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Cc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1
COc1ccc(cc1OC)C1COc2c(C1)ccc(O)c2O
Cc1c(O)ccc2CC(COc12)c1ccc(Cl)cc1
Oc1ccc(cc1)C1COc2c(O)c(O)ccc2C1
Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O
Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O |r|
OC[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1cccc(O)c1O |r|
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1 |r|
OC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1cccc(O)c1O |r|
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1O |r|
OC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1ccccc1O |r|
OC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1cccc(O)c1O |r|
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1c(O)cccc1F |r|
OC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1c(O)cccc1F |r|
OC[C@H](CCCCNC(=O)c1ccccc1F)NC(=O)c1cccc(O)c1O |r|
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1F |r|
OC[C@H](CCCCNC(=O)c1ccccc1F)NC(=O)c1ccccc1F |r|
OC[C@H](CCCCNC(=O)c1cccc(F)c1)NC(=O)c1cccc(F)c1 |r|
OC[C@H](CCCCNC(=O)c1ccccc1Cl)NC(=O)c1cccc(O)c1O |r|
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1Cl |r|
Clc1c(sc2ccccc12)C(=O)NN1C(=O)CSC1=S
Clc1c(sc2ccccc12)C(=O)NN1C(=S)S\C(=C/c2cn(nc2-c2ccccc2)-c2ccccc2)C1=O
COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(NC(=O)c2sc3ccccc3c2Cl)C1=O)-c1ccccc1
Clc1c(sc2ccccc12)C(=O)NN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)C1=O
Clc1c(sc2ccccc12)C(=O)NN1C(=S)S\C(=C/c2ccccc2)C1=O
COc1ccc(\C=C2/SC(=S)N(NC(=O)c3sc4ccccc4c3Cl)C2=O)cc1
Clc1c(sc2ccccc12)C(=O)NN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O
COc1cc(\C=C2/SC(=S)N(NC(=O)c3sc4ccccc4c3Cl)C2=O)ccc1O
COc1ccc(\C=C2/SC(=S)N(NC(=O)c3sc4ccccc4c3Cl)C2=O)cc1OC
Clc1c(sc2ccccc12)C(=O)NN1C(=S)S\C(C1=O)=C1\C(=O)Nc2ccccc12
O=C(NN1C(=O)CSC1=S)c1cc2ccccc2o1
O=C(NN1C(=S)S\C(=C/c2cn(nc2-c2ccccc2)-c2ccccc2)C1=O)c1cc2ccccc2o1
COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(NC(=O)c2cc3ccccc3o2)C1=O)-c1ccccc1
Brc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(NC(=O)c2cc3ccccc3o2)C1=O)-c1ccccc1
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCOc1ccccc1
CCCc1c(OCCCc2cc3OC(CCc4ccccc4)Cc3cc2O)ccc(C(C)=O)c1O
COc1ccc(CCC2Oc3cc(CC=C)c(O)cc3C2(C)C)cc1
Oc1cc2CC(CCc3ccccc3)Oc2cc1Cc1ccccc1
Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCSc1ccncc1
Oc1cc2CC(CCc3ccccc3)Oc2cc1CC=C
CCCc1c2CC(CCc3ccccc3)Oc2cc(CCCOc2ccc(cc2)-c2nnn[nH]2)c1O
CCCc1c2CC(CCc3ccccc3)Oc2cc(CCCOc2ccccc2)c1O
Oc1cc2CC(CCc3ccccc3)Oc2cc1CCCSc1nc2ccccc2s1
CCCc1cc2OC(CCc3ccc(SC)cc3)C(C)(C)c2cc1O
CCCc1cc2OC(Cc3ccc(OC)cc3)C(C)c2cc1O
COc1nc2c(SCCCc3cc4OC(CCc5ccccc5)Cc4cc3O)cccc2cc1C(O)=O
CC1(C)C(CCc2ccccc2)Oc2cc(CCCOc3ccccc3)c(O)cc12
OC(=O)c1ccc(OCCCc2cc3OC(CCc4ccccc4)Cc3cc2O)cc1
COc1ccc(CC2Oc3cc(CC=C)c(O)cc3C2(C)C)cc1
Oc1cc2CC(CCc3ccc(Cl)cc3)Oc2cc1CCCOc1ccccc1
Oc1ccc2OC(CCc3ccccc3)Cc2c1CC=C
CCCc1cc2OC(CCSc3ccccn3)C(C)(C)c2cc1O
O=C1CCCN(N1)c1ccccc1
NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
O=C1CCN(N1)c1ccccc1
O=C1OCc2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccccc1
Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1
CCCCC\C=C/C\C=C/C=C/C=C/C(O)CCCCN=O
CCCCC\C=C/C\C=C/C=C/C=C/[C@H](O)CCCCN=O
CCCCC\C=C/C\C=C/[C@@H]1CC(C)=C(C)C[C@H]1\C=C/C\C=C/CCCC([O-])=O |t:13|
CCCCC\C=C/C\C=C/[C@H]1CC(C)=C(C)C[C@H]1\C=C/C\C=C/CCCC([O-])=O |t:13|
CCCCC\C=C/C\C=C/[C@@H]1C[C@H]1\C=C/C\C=C/CCCC([O-])=O
NC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OCC1 |t:6|
NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2SCC1 |t:6|
NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OCC1 |t:6|
NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:6|
CNC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OCC1 |t:7|
NC(=O)N(O)CC1=Cc2ccc(Oc3ccccc3)cc2OCC1 |t:6|
CCCOc1c(NC(=O)N(O)Cc2ccccc2)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(O)C(C)CC)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(O)CCC)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(O)CC)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
ON(Cc1ccccc1)\C=C/C(=O)c1c(Cl)cccc1Cl
CN(O)\C=C/C(=O)c1ccc(Cl)cc1
CC(=O)N(OCc1ccccc1)\C=C/C(=O)C(C)(C)C
CN([O-])\C=C/C(=O)c1ccc(OCc2ccccc2)cc1
ON(\C=C/C(=O)c1ccc2ccccc2c1)c1ccccc1
CCCCCCCCCCN(O)\C=C/C(=O)c1ccc(F)cc1
COC(=O)\C=C/N(O)Cc1ccc(OCc2ccccc2)cc1
ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccsc1
CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(Cl)cc1 |w:12.12|
CC(=O)ON(Cc1ccccc1)C=CC(=O)C(C)(C)C |w:12.12|
ON(CCc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
ON(Cc1ccc(OCc2ccccc2)cc1)C=CC(=O)C1CC1 |w:17.18|
ON(Cc1ccc(Oc2ccccc2)cc1)C=CC(=O)C1CC1 |w:16.17|
CN(OC(C)=O)C=CC(=O)c1ccc(cc1)-c1ccccc1 |w:6.5|
ON(Cc1ccc2ccccc2c1)C=CC(=O)C1CC1 |w:13.14|
ON(Cc1ccccc1)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
O=C(CC=NOCc1ccccc1)c1ccc(cc1)-c1ccccc1 |w:4.4|
CN(O)\C=C(\C)C(=O)c1ccc(OCc2ccccc2)cc1
ON(Cc1ccc(cc1)-c1ccccc1)C=CC(=O)C1CC1 |w:15.16|
COc1ccc(cc1)C(=O)C(=C/N(C)O)\c1ccc(OC)cc1
C[N+](=O)C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O
CN(O)\C=C/C(=O)c1ccc2ccccc2c1
CON(Cc1ccccc1)\C=C/C(=O)c1ccccc1OC
ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1cccs1
ON(Cc1ccccc1)\C=C/C(=O)c1ccc(Cl)cc1
CN(O)\C=C/C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CN(OC(C)=O)C=CC(=O)c1ccc(Cl)cc1 |w:6.5|
ON(Cc1ccc2ccccc2c1)\C=C/C(=O)c1ccc(F)cc1
CN(OC(C)=O)C=CC(=O)c1ccc(OCc2ccccc2)cc1 |w:6.5|
ON(\C=C/C(=O)c1ccc(F)cc1)C1CCCCC1
CC(=O)O[N+](Cc1ccccc1)=C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O |w:12.13|
ON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
CC(C)(C)C(=O)C\C=N\OCc1ccccc1
CON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
COc1ccccc1C(=O)C\C=N\OCc1ccccc1
CCc1c(ccc2ccccc12)N(O)\C=C/C(=O)c1ccc2ccccc2c1
CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(F)cc1 |w:12.12|
CC(=O)O[N+](C)=C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O |w:6.6|
CC(=CC(=O)c1ccc(F)cc1)N(O)Cc1ccccc1 |w:2.2|
ON(\C=C/C(=O)c1ccc(F)cc1)c1ccccc1
CN(O)\C=C(/C(=O)c1ccccc1)c1ccccc1
ON(Cc1ccccc1)\C=C/C(=O)c1ccc(Cl)c(Cl)c1
ON(Cc1ccccc1)\C=C/C(=O)c1ccncc1
CN(O)\C=C/C(=O)c1ccc(OCc2ccccc2)cc1
CC(C)(C)C(=O)\C=C/N(O)Cc1ccccc1
ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccc(F)cc1
COc1ccc(cc1)C(=O)\C=C/N(C)O
CN(O)\C=C/C(=O)c1ccc(F)cc1
CN(O)\C=C/C(=O)Sc1ccc2ccccc2c1
ON(\C=C/C(=O)c1ccc2ccccc2c1)C1CCCCC1
ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccco1
ON(Cc1ccccc1)\C=C/C(=O)c1ccc2ccccc2c1
Fc1ccc(cc1)C(=O)CC=NOCc1ccccc1 |w:11.12|
CN(O)\C=C/C(=O)c1ccc(OCc2ccccn2)cc1
CC(=O)ON(Cc1ccccc1)C=CC(=O)c1ccc(cc1)-c1ccccc1 |w:12.12|
[O-][N+](=O)c1ccc(cc1)C(=O)[CH-]C[N+](=O)Cc1ccccc1
CN(O)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
ON(Cc1ccccc1)\C=C1\CCc2ccccc2C1=O
CSc1ccc(cc1)C(=O)C(=C/N(C)O)\c1ccc(F)cc1
OC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(cc1)-c1ccncc1
COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
Oc1c(Cc2ccccc2)ccc2ccccc12
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
Cc1ccc(cc1)C(O)(Cn1ccnc1)c1ccc(cc1)-c1ccncc1
CCn1c2ccc(COc3cc(F)cc(c3)C3(CCOCC3)OC)cc2ccc1=O
COC1(CCc2ccc(OCc3ccc4ccccc4c3)cc12)c1nccs1
Cc1cnc([nH]1)C(O)c1cccc(OCc2ccc3ccccc3c2)c1
COC(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCCCCCCCCCOc1cccc(c1)C(O)c1ncc(C)[nH]1
CCC(O)(c1nccs1)c1cccc(OCCCc2ccccc2)c1
CCC(OC)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCC(O)(c1nccs1)c1cccc(OC\C=C\c2ccccc2)c1
COC1(CCc2c1cccc2OCc1ccc2ccccc2c1)c1nccs1
COC1CCc2ccc(OCc3ccc4ccccc4c3)cc12
CCC(O)(c1nccs1)c1cccc(OCc2ccc(F)c(F)c2)c1
CC(C)C(O)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCC(OC)(c1nccs1)c1ccccc1OCc1ccc2ccccc2c1
Cc1cnc([nH]1)C(O)c1cccc(OCc2ccc(cc2)-c2ccccc2)c1
COC(C)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCC(O)(c1nc(C)cs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCCC(O)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCC(OC)(c1cncs1)c1cccc(OCc2ccc3ccccc3c2)c1
OC(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
CCC(O)(c1nccs1)c1cccc(OCC#Cc2ccccc2C)c1
CCC(OC)(c1cscn1)c1cccc(OCc2ccc3ccccc3c2)c1
CCC(O)(c1nccs1)c1cccc(OCC#Cc2cccc(C)c2)c1
CCC(O)(c1nccs1)c1cccc(OCC#Cc2ccccc2)c1
C(Oc1ccc2CCC(c3nccs3)c2c1)c1ccc2ccccc2c1
CCC(O)(c1nccs1)c1cccc(OCC#Cc2ccc(C)cc2)c1
CCC(O)(c1nccs1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
CCC(OC)(c1nccs1)c1cccc(OCc2cccc3ccccc23)c1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(C)C
CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(N)=O
COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)C(F)(F)F
CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(C)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(=O)c1ccccc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CCN(O)C(N)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
COc1cc(\C=C\c2cc(C)no2)cc(Br)c1O
CC(C)c1cc(\C=C\c2cc(C)no2)cc(C(C)C)c1O
COc1cc(C=Cc2cc(C)n[nH]2)cc(OC)c1O |w:5.4|
Cc1cc(\C=C\c2ccccc2)on1
CC(C)(C)c1cc(\C=C\c2cc(no2)C(F)(F)F)cc(c1O)C(C)(C)C
COc1cc(C=Cc2cc(n[nH]2)C(O)=O)ccc1O |w:5.4|
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1C
CC(C)c1cc(C=Cc2cc(C)n[nH]2)cc(C(C)C)c1O |w:7.7|
COc1cc(\C=C\c2cc(C)ns2)ccc1O
CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O
COc1cc(\C=C\c2cc(C)no2)cc(c1O)C(C)(C)C
COc1cc(\C=C\c2cc(C)ns2)cc(OC)c1O
COc1cc(\C=C\c2cc(C)no2)ccc1O
CC(C)(C)c1cc(\C=C\c2cc(CC(O)=O)on2)cc(c1O)C(C)(C)C
COc1cc(\C=C\c2cc(C)ns2)cc(c1O)C(C)(C)C
Cc1cc(\C=C\c2ccc(O)cc2)on1
Cc1cc(\C=C\c2cc(C)c(O)c(C)c2)on1
Cc1cc(C=Cc2cc(C)c(O)c(C)c2)[nH]n1 |w:5.5|
Cc1cc(C=Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)[nH]n1 |w:4.3|
Cc1cc(\C=C\c2cc(C)c(O)c(c2)C(C)(C)C)on1
COc1cc(\C=C\c2cc(C)sn2)cc(c1O)C(C)(C)C
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)no1
Cc1cc(\C=C\c2cc(Cl)c(O)c(Cl)c2)on1
CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)on1
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)n(C)n1
Cc1cc(\C=C\c2cc(Br)c(O)c(Br)c2)on1
COc1cc(\C=C\c2cc(C)no2)cc(OC)c1O
COCCC1CN(NC1=O)c1ccccc1
CCSC1CN(NC1=O)c1ccccc1
COCCC1CCN(NC1=O)c1ccccc1
COCCC1CN(NC1=O)c1ccc(OC)cc1
COCCC1C(=O)NN(c2ccccc2)C1(C)C
COCC1CN(N(C)C1=O)c1ccccc1
COCCC1CN(NC1=O)c1ccc(C)cc1
O=C1NN(CC1Cc1cccs1)c1ccccc1
CCOCC1CN(NC1=O)c1ccccc1
CSC1CN(NC1=O)c1ccccc1
COCC1(C)CN(NC1=O)c1ccccc1
CCCOCC1CN(NC1=O)c1ccccc1
OC(C1CN(NC1=O)c1ccccc1)(c1ccccc1)c1ccccc1
CC(C)(O)C1CN(NC1=O)c1ccccc1
COCCOCC1CN(NC1=O)c1ccccc1
COCCC1CN(NC1=O)c1cccc(c1)C(F)(F)F
COCCC1CN(NC1=O)c1ccc(OCc2ccccc2)cc1
COCc1cn([nH]c1=O)-c1ccccc1
COCCC1CN(NC1=O)c1ccc(O)cc1
CN(C)CCC1CN(NC1=O)c1ccccc1
CCOCCC1CN(NC1=O)c1ccccc1
OCCC1CN(NC1=O)c1ccccc1
COCCC1CN(NC1=O)c1ccc(Cl)c(Cl)c1
O=C1NN(CC1Sc1ccccn1)c1ccccc1
COCCC1CN(NC1=O)c1ccc(Cl)cc1
COCC1CN(NC1=O)c1ccccc1
COCCC1C(C)N(NC1=O)c1ccccc1
O=C1NN(CC1SCc1ccccc1)c1ccccc1
COCCc1cn([nH]c1=O)-c1ccccc1
CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:1.0|
Cc1c(C)c(O)c(C(=CCCCCO)c2cccnc2)c(C)c1O |w:8.8|
CCCCCC=C(c1cccnc1)c1c(O)c(=C)c(C)c(O)c1=C |w:5.4|
Cc1c(C)c(O)c(C(=C)c2cccnc2)c(C)c1O
CC(=O)OCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:7.6|
Cc1c(C)c(O)c(C(=CCCCO)c2cccnc2)c(C)c1O |w:8.8|
CC(=Cc1cccc(c1)C(c1cccnc1)=c1c(C)c(O)c(=C)c(C)c1O)C(O)=O |w:9.9,2.2|
Cc1c(C)c(O)c(C(=CCCCCCC(O)=O)c2cccnc2)c(C)c1O |w:8.8|
CCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:3.2|
Cc1c(O)c(=Cc2cccnc2)c(C)c(O)c1=C |w:5.5|
CC(=O)OCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:8.7|
Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8|
CCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:5.4|
Cc1c(O)c(C=CC(O)=O)c(C)c(O)c1Cc1cccnc1 |w:6.6|
CC1=C(Cc2cccnc2)C(=O)c2ccccc2C1=O |c:1|
CC(=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C)C(O)=O |w:2.2|
COC1=C(OC)C(=O)C(Cc2cccnc2)=C(C)C1=O |c:2,t:16|
Cc1c(C)c(O)c(C(=CCCCC(O)=O)c2cccnc2)c(C)c1O |w:8.8|
Cc1c(O)c(=C(c2cccnc2)c2cccc(C=CC(O)=O)c2)c(C)c(O)c1=C |w:5.12,18.19|
CCOC(=O)C=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C |w:5.4|
Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2cccnc2)c(C)c1O |w:8.8|
OC(=O)C=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C |w:3.2|
Cc1c(O)c(=C(c2cccnc2)c2cccc(CCC(O)=O)c2)c(C)c(O)c1=C |w:5.12|
Cc1c(O)c(=C(c2ccccc2)c2cccnc2)c(C)c(O)c1=C |w:5.12|
Cc1c(O)c(=C)c(C(=CCCCCC(O)=O)c2cccnc2)c(O)c1=C |w:8.8|
Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O
COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Oc1ccc(\C=C(/C#N)C(=O)OCCCc2cccnc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCCCCCCCn2ccnc2)cc1O
Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O
CCCc1sc(nc1OC(=O)OCC)-c1ccccc1
CCCOC(=O)Oc1nc(sc1CCC)-c1ccccc1
CCCc1sc(nc1O)-c1ccccc1
Cc1sc(nc1O)-c1ccc(SC(F)(F)F)cc1
COC(=O)Cc1sc(nc1O)-c1ccccc1
CCCCNC(=O)Oc1nc(sc1CCC)-c1ccccc1
Cc1sc(nc1O)-c1ccc(Cl)cc1
CCCc1sc(nc1OC(C)=O)-c1ccccc1
CC(=O)Oc1nc(sc1C)-c1ccc(cc1)C(O)=O
Cc1sc(nc1O)-c1ccc(cc1)S(N)(=O)=O
CCOC(=O)c1ccc(cc1)-c1nc(O)c(C)s1
Cc1sc(nc1O)-c1ccc(N)cc1
Cc1sc(nc1O)-c1ccc(cc1)C(=O)OCCc1ccccc1
Cc1sc(nc1O)-c1ccc(Br)cc1
CC(=O)Oc1nc(sc1-c1ccccc1)-c1ccccc1
Cc1sc(nc1O)-c1ccc(cc1)[N+]([O-])=O
CC(=O)Oc1nc(sc1-c1ccccc1)-c1ccc(cc1)-c1ccccc1
CCCc1sc(nc1OC(=O)NC)-c1ccccc1
Cc1sc(nc1O)-c1ccccn1
CCCc1sc(nc1OC(=O)Nc1ccccc1)-c1ccccc1
CCCCCC(=O)Oc1nc(sc1-c1ccccc1)-c1ccccc1
Cc1sc(nc1O)-c1cc[nH]n1
Cc1sc(nc1O)-c1ccc(cc1)C#N
Cc1sc(nc1O)-c1ccc(cc1)C(N)=O
Cc1sc(nc1O)-c1ccc(cc1)C(O)=O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Cc1sc(nc1O)-c1ccc(C)cc1
Cc1sc(nc1O)-c1cccnc1
Oc1nc(sc1-c1ccccc1)-c1ccc(cc1)-c1ccccc1
Cc1nc(O)c(s1)-c1ccccc1
CCCCc1sc(nc1OC(C)=O)-c1ccccc1
Oc1nc(sc1-c1ccccc1)-c1ccncc1
COc1ccc(cc1)-c1nc(O)c(s1)-c1ccccc1
CN(O)C(=O)Cc1sc(nc1O)-c1ccccc1
CCCc1sc(nc1OC(=O)OCc1ccccc1)-c1ccccc1
CCOC(=O)CCC(=O)Oc1nc(sc1-c1ccccc1)-c1ccccc1
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NO
Cc1sc(nc1O)-c1ccco1
Cc1sc(nc1O)-c1cccc(F)c1
Oc1sc(nc1-c1ccccc1)-c1ccccc1
COc1ccc2nc(sc2c1)-c1nc(O)c(C)s1
Cc1sc(nc1O)-c1ccccc1
Cc1sc(nc1O)-c1ccc(F)cc1
Cc1sc(nc1O)-c1cnc2ccccc2c1
CCc1sc(nc1O)-c1ccccc1
CCCCC(=O)Oc1nc(sc1-c1ccccc1)-c1ccccc1
Cc1sc(nc1O)-c1ccncc1
CC(=O)c1c(O)cc(C)oc1=O
Cc1sc(nc1O)-c1cccs1
Oc1nc(sc1-c1ccccc1)-c1cccnc1
CCCCc1sc(nc1O)-c1ccccc1
Oc1nc(sc1CCc1ccccc1)-c1ccccc1
Cc1ccc(cc1)-c1nc(O)c(s1)-c1ccccc1
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Cc1sc(nc1O)-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1)-c1nc(O)c(C)s1
Cc1sc(nc1O)-c1ccccc1F
Oc1nc(sc1-c1ccccc1)-c1ccccc1
CCCCCCC(=O)CC\C=C/C\C=C/C=C/CCCCC(O)=O
OC(=O)c1ccc(cc1)-c1nc(O)c(s1)-c1ccccc1
COC(=O)c1ccc(cc1)-c1nc(O)c(C)s1
CC(=O)c1ccc(cc1)-c1nc(O)c(C)s1
Oc1nc(sc1-c1ccccc1)-c1ccc(F)cc1
CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
CCCCCCCCCCCCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
CCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12
CCCCCCCCCCCCCCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12
CCCCCCOc1cc(OC)c(OC)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12
CCCCCCOc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCOc1c(oc2cc(OC)c(OC)c(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
COc1cc(O)c2c(oc(c(C)c2=O)-c2ccc(O)c(O)c2)c1OC
CCCCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCOc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCOc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
CCCCCCCCCCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
CCCCCCCCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
COc1cc2oc(c(C)c(=O)c2c(OC)c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
CCCCCCCCCCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
CCCCCCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCOc1cc(OC)c(OC)c2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12
COc1cc(OC)c2c(oc(c(C)c2=O)-c2ccc(O)c(O)c2)c1OC
CCCCCCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCc1c(oc2cc(OC)c(OC)c(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCc1c(O)c2c(cc(OC)c(OC)c2=O)oc1-c1ccc(O)c(O)c1
COc1cc2oc(c(C)c(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCc1c(oc2c(OC)c(OC)cc(OC)c2c1=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCc1c(oc2c(OC)c(OC)cc(O)c2c1=O)-c1ccc(O)c(O)c1
CONC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
C(Oc1cccc(Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
COc1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
Cc1cc(\C=C\c2ccsc2)cc(C)c1O
Cc1cc(\C=C\c2cccs2)cc(C)c1O
Cc1cc(\C=C\c2cccnc2)cc(C)c1O
Cc1cc(Cc2cccnc2)cc(C)c1O
C\C(=C/c1cc(C)c(O)c(C)c1)c1ccc(F)cc1
Cc1cc(\C=C\c2ccc(Cl)cc2)cc(C)c1O
Cc1cc(\C=C\C(=O)c2ccc(F)cc2)cc(C)c1O
Cc1cc(\C=C\c2ccc(cc2)C(O)=O)cc(C)c1O
Cc1ccc(C)c(\C=C\c2cc(C)c(O)c(C)c2)c1
Cc1cccc(\C=C\c2cc(C)c(O)c(C)c2)c1
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O
CC(C)c1cc(\C=C\c2cccnc2)cc(C(C)C)c1O
Cc1cc(cc(C)c1O)C(=O)c1cccs1
Cc1cc(cc(C)c1O)C(=O)\C=C\c1cccs1
CC(C)(C)c1cc(\C=C\c2cccnc2)cc(c1O)C(C)(C)C
CCc1cc(\C=C\c2cccs2)cc(OC)c1O
COc1ccc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1
Cc1cc(\C=C2/CCOC2=O)cc(C)c1O
Cc1cc(CCC(=O)c2ccc(F)cc2)cc(C)c1O
CCc1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
CCCc1cc(\C=C\c2cccs2)cc(OC)c1O
Cc1cc(\C=C\c2ccccc2C(O)=O)cc(C)c1O
COc1cc(\C=C\c2cccs2)cc(C)c1O
Cc1cc(\C=C\c2ccncc2)cc(C)c1O
CC(C)c1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
Cc1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
CC(C)(C)c1cc(\C=C\c2cccs2)cc(c1O)C(C)(C)C
CC(C)c1cc(\C=C\c2ccc(F)cc2)cc(C(C)C)c1O
CC(C)(C)c1cc(\C=C\c2ccc(F)cc2)cc(c1O)C(C)(C)C
Cc1cc(\C=C\c2cccc(c2)C(O)=O)cc(C)c1O
Cc1cc(\C=C\C(=O)c2cccs2)cc(C)c1O
Cc1ccc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1
Cc1cc(\C=C\c2ccc(F)cc2)cc(C)c1O
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)c1cccs1
COc1ccccc1\C=C\c1cc(C)c(O)c(C)c1
Cc1cc(cc(c1O)C)\C=C\c2ccccc2
Cc1cc(\C=C\c2cccs2)cc(CC=C)c1O
CONC(=O)CC1=C(C)\C(=C\c2ccc(cc2)S(C)=O)c2ccc(F)cc12 |c:6|
CONC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(C)O)c2c1
CONC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
CONC(=O)C(C)c1ccc(CC(C)C)cc1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(O)C(C)C)c2c1
CC(C)Cc1ccc(cc1)C(C)C(=O)NO
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NO)c2c1
CN(O)C(=O)CC1=C(C)\C(=C\c2ccc(cc2)S(C)=O)c2ccc(F)cc12 |c:6|
CN(O)C(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
CC1=C(CC(=O)NO)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1|
CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NO)c1Cl
CCOC(=O)C(=O)CC=C(SCc1ccccc1)C(=O)OCC |w:8.7|
CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)OCC |w:8.7|
CCOC(=O)CC=CC(=O)C(=O)OCC |w:6.5|
CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC |w:10.10|
CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1 |w:8.7|
CCOC(=O)C(=O)CC=C(C(=O)OCC)C(=O)c1ccccc1 |w:8.7|
CCOC(=O)C(=O)CC=C(C(=O)OCC)c1ccccc1 |w:8.7|
CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(=O)c1ccccc1 |w:13.14|
CCOC(=O)C(=O)CC=C(Sc1ccccc1)C(=O)c1ccccc1 |w:8.7|
CCSC(C=CC(=O)C(O)=O)C(O)=O |w:5.5|
CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(=O)N(C)C |w:13.14|
CCOC(=O)C(Sc1ccccc1)C(=O)c1ccccc1
OC(=O)C(=O)CC=Cc1ccccc1 |w:7.7|
CCOC(=O)C(Sc1ccccc1)=CCC=O |w:13.14|
CCOC(=O)C(Sc1ccccc1)=CC=C(N(C)C)C(=O)OCC
CCOC(=O)c1ccc(Sc2ccccc2)c(=O)o1
CCOC(=O)C(=O)CCC(=O)C(=O)OCC
CCOC(=O)C(Sc1ccccc1)=CCC(=O)c1ccccc1 |w:13.14|
CCOC(=O)C(=CC=C(SC)C(=O)c1ccccc1)N(C)C
CCOC(=O)C(Sc1ccccc1)=CCC(=O)C(O)=O |w:13.14|
Cc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1
ONC(=O)Cc1cccc2ccccc12
CN(O)C(=O)COc1ccc2ccccc2c1
ONC(=O)CCSc1ccc2ccccc2c1
c1ccc(c(c1)C(=O)NO)O
CCCCOc1ccc(cc1)C(=O)N(C)O
CN(O)C(=O)c1ccccc1
CCCCOc1ccc(cc1)C(C)C(=O)N(C)O
CCCCOc1ccc(cc1)C(C(C)C)C(=O)N(C)O
CN(O)C(=O)\C=C\c1cccc2ccccc12
ONC(=O)c1c[nH]c2ccccc12
CN(O)C(=O)CCc1ccc2ccccc2c1
ONC(=O)c1ccc2cc(OCC=C)ccc2c1
ONC(=O)CCc1ccccc1
COc1ccc2cc(CC(=O)NO)ccc2c1
Cc1ccc(cc1)C(=O)NO
ONC(=O)c1ccc(cc1)-c1ccccc1
ONC(=O)c1ccc(cc1)-c1ccccc1[N+]([O-])=O
ON(C1CCCCC1)C(=O)\C=C\c1ccc2ccccc2c1
CC(C)Oc1ccc(cc1)C(C)C(=O)N(C)O
ONC(=O)\C=C\c1ccc2ccccc2c1
CN(O)C(=O)\C=C\c1cc2ccccc2c2ccccc12
CC(C)Cc1ccc(cc1)C(Cc1ccccc1)C(=O)N(C)O
CCCCC\C=C\CCOc1ccc2cc(ccc2c1)C(=O)NO
CN(O)C(=O)\C=C\c1ccc2c(ccc3ccccc23)c1
CCCCOc1ccc2cc(ccc2c1)C(=O)N(C)O
CN(O)C(=O)c1ccc(cc1)-c1c(C)cc(C)cc1C
CC(C)Cc1ccc(CC(=O)N(C)O)cc1
ONC(=O)Cc1ccc2ccccc2c1
ONC(=O)c1ccc(O)cc1
ONC(=O)c1ccc2ccccc2c1
ONC(=O)CCc1ccc2ccccc2c1
CCCCOc1ccc(cc1)CC(=O)NO
CN(O)C(=O)\C=C\c1ccc(cc1)-c1c(C)cc(C)cc1C
CC(C(=O)N(C)O)c1cccc(c1)C(=O)c1ccccc1
CN(O)C(=O)Cc1ccc(cc1)-c1ccccc1
ONC(=O)c1ccc2ccccc2c1O
ONC(=O)c1ccc(cc1)C(F)(F)F
ONC(=O)C#Cc1ccccc1
CCCCOc1ccc(OCC(=O)NO)cc1
CCCCOc1ccc(CCC(=O)N(C)O)cc1
CCCCCCOc1ccc2cc(ccc2c1)C(=O)NO
ONC(=O)c1ccc(I)cc1
Cc1ccc(cc1)N(O)C(=O)\C=C\c1ccc2ccccc2c1
CN(O)C(=O)Cc1c(C)cc(C)cc1C
ONC(=O)c1ccc(cc1)C#N
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)C1CCCCC1
ONC(=O)c1ccc(Br)cc1
CC(C(=O)N(C)O)c1ccc2ccccc2c1
CCCCCCCOc1ccc2cc(ccc2c1)C(=O)NO
c1ccc(cc1)C(=O)NO
Cc1ccc2ccc(CCC(=O)NO)cc2c1
COc1ccc2cc(ccc2c1)C(C)C(=O)NO
CCCCOc1ccc(\C=C\C(=O)N(C)O)cc1
CCCCOc1ccc(OC(C)C(=O)N(C)O)cc1
ONC(=O)c1ccc(cc1)[N+]([O-])=O
CN(O)C(=O)\C=C\c1cc2ccccc2cc1[N+]([O-])=O
c1ccc2c(c1)cccc2C(=O)NO
CC(Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C)O
CCCCOc1ccc(OC(C)C(=O)NO)cc1
CN(O)C(=O)C(=C\c1ccc2ccccc2c1)\c1ccc(Br)cc1
c1ccc(cc1)CCCC(=O)NO
CN(O)C(=O)\C=C\c1cccc(c1)-c1ccccc1
CN(O)C(=O)\C=C\c1ccc2ccc3ccccc3c2c1
[#6]-[#7](-[#8])-[#6](=O)-[#6](=[#6](/c1ccccc1)-c1ccccc1)\c1ccccc1
CN(O)C(=O)CC(=C)c1ccc2ccccc2c1
CCCCOc1ccc(OCC(=O)N(C)O)cc1
ONC(=O)c1cccc(c1)C(=O)c1ccccc1
CCCCOc1ccc(CC(=O)N(C)O)cc1
ONC(=O)c1ccc2CCc3ccccc3-c2c1
CN(O)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
CN(O)C(=O)\C=C\c1ccc([N+]([O-])=O)c2ccccc12
ONC(=O)c1ccc2ccc3ccccc3c2c1
CC(C)N(O)C(=O)\C=C\c1ccc2ccccc2c1
CN(O)C(=O)\C=C\c1ccc(cc1)-c1ccccc1
CC(C)Cc1ccc(CCC(=O)N(C)O)cc1
ONC(=O)c1ccc2c(ccc3ccccc23)c1
CC(C)Cc1ccc(cc1)C(C)(C)C(=O)N(C)O
ONC(=O)\C=C\c1ccccc1
CN(O)C(=O)C(\C)=C\c1ccc2ccccc2c1
CN(O)C(=O)\C=C\c1ccc2ccccc2c1
CC(C)Cc1ccc(cc1)C(=O)NO
ONC(=O)c1cc2ccccc2cc1O
CN(O)C(=O)C(=C\c1ccc2ccccc2c1)\c1ccc(F)cc1
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)C(C)C
ONC(=O)c1ccc(cc1)-c1ccc2ccccc2c1
CCCCCCCCCCC\C=C/C=C/SCCCC(=O)OC
CCCCCCCC\C=C/C\C=C/C=C/SCCCC(=O)OC
CCCCCCCC\C=C/C\C=C/C=C/SCCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/SCCCC(=O)OC
CCCCCCCC\C=C/C\C=C/C=C/Sc1ccc(cc1)C(=O)OC
CCCCCCCCC#CC\C=C/C=C/Sc1cccc(c1)C(=O)OC
CCCCCCCCC#CC\C=C/C=C/SCCCC(=O)OC
CCCCCCCC\C=C/C\C=C/C=C/Sc1ccccc1C(=O)OC
CCCCCCCC\C=C/C\C=C/C=C/Sc1cccc(c1)C(=O)OC
CC1Oc2c(S1)c(C)c(O)c(C)c2C
Cc1c2OC(CCC(N)=O)Sc2c(C)c(O)c1C
Cc1c2OC(Sc2c(C)c(O)c1C)c1ccccc1
CCC1Oc2c(S1)c(C)c(O)c(C)c2C
CCCCCCCC1Oc2c(S1)c(C)c(O)c(C)c2C
Cc1c2OC(CCCO)Sc2c(C)c(O)c1C
Cc1c2OCSc2c(C)c(O)c1C
CCCCC1Oc2c(S1)c(C)c(O)c(C)c2C
CCCC1Oc2c(S1)c(C)c(O)c(C)c2C
CCCCCCC1Oc2c(S1)c(C)c(O)c(C)c2C
c1cc(c(cc1\C=C\C(=O)O)O)O
Cc1ccc(\C=C\C(=O)NCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cn1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
CN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
CCOC(=O)CCCN(O)C(=O)CCCc1ccccc1
CCC(Cc1ccccc1)N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
COc1ccc(CC(=O)N(O)CCc2ccccc2)cc1
CC(C(=O)N(O)CCc1ccccc1)c1cccc(OCc2ccccc2)c1
ON(Cc1ccccc1)C(=O)CCCCc1ccccc1
ON(CCc1ccccc1)C(=O)CCCc1ccccc1
ON(CCCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1
ON(CCc1ccccc1)C(=O)CCOc1ccccc1
ON(Cc1ccccc1)C(=O)CCCc1ccccc1
ON(CCCCC(O)=O)C(=O)Cc1ccc(OCc2ccccc2)cc1
ON(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
ON(CCCc1ccccc1)C(=O)CCc1ccccc1
COc1ccc(CCCC(=O)N(C)O)cc1
ON(Cc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
CN(O)C(=O)CCCCc1ccccc1
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)Cc1ccccc1
CN(O)C(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
ON(CCc1ccccc1)C(=O)COc1ccccc1
ON(CCc1ccccc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
CCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
ON(CCc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1
CC(N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
CN(O)C(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
COc1ccc(CCCC(=O)N(O)CCc2ccccc2)cc1
CCCc1ccc2oc(Cc3ccc(OC)cc3)c(C)c2c1O
CCCc1c(Cc2ccc(OC)cc2)oc2c(Cl)cc(CCC)c(O)c12
COc1ccc(Cc2oc3cccc(O)c3c2C)cc1
COc1ccc(Cc2oc3c(Cl)cc(C)c(O)c3c2C)cc1
CCCc1cc(C)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
CCCc1cc(F)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
CCOCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
COc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1
CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
COc1ccc(Cc2oc3c(Cl)cc(CCC(O)=O)c(O)c3c2C)cc1
CCCc1cc(Cl)c2oc(Cc3ccccc3)c(C)c2c1O
COc1ccc(Cc2oc3c(Cl)cc(c(O)c3c2C)C(C)(C)C)cc1
COc1ccc(Cc2oc3c(Cl)cc(Cl)c(O)c3c2C)cc1
COc1ccc(Cc2oc3c(Cl)cc(CC=C)c(O)c3c2C)cc1
CCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O
COc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3OC)c(C)c2c1O
CCCc1cc(Cl)c2oc(Cc3ccc(OCC(O)=O)cc3)c(C)c2c1O
COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1O
COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
CCCCCCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1
CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
CCCCCCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
COC(=O)C(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
COC(=O)CC(=O)Nc1ccccc1COc1ccc(C(C)=O)c(O)c1
COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1
COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1
CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1O
COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
COC(=O)C(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
CCCc1c(O)c(ccc1OCc1cccc(NC(=O)CC(=O)OC)c1)C(C)=O
CCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(F)c2)c1
COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
COC(=O)CC(=O)N(C)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1
CCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
CN1C[C@H](OC1=O)c1cccc(OCc2ccc3ccccc3n2)c1 |r|
CC(N(O)C(C)=O)c1ccc(OCc2ccccc2)cc1
CCCCOc1ccc(cc1)C(C)N(O)C(C)=O
CN(O)C(=O)\C=C\c1ccc2C(=O)c3ccccc3C(=O)c2c1
CN(O)C(=O)C(Br)C(Br)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C(C)C(=O)N(C)O
Cc1cc(C)c(c(C)c1)-c1ccc(cc1)C(=O)NO
CC(C)Cc1ccc(cc1)C(C(C)C)C(=O)N(C)O
CC(C(=O)N(C)O)c1ccc(OCc2ccccc2)cc1
CN(O)C(=O)c1ccc2ccccc2c1
CN(O)C(=O)\C=C(/C)c1ccc2ccccc2c1
CCCCOc1ccc(OC(C(=O)N(C)O)c2ccccc2)cc1
ONC(=O)\C=C/c1ccccc1
ON(C(=O)\C=C\c1ccc2ccccc2c1)c1ccccc1
CCC(C(=O)N(C)O)c1ccc(CC(C)C)cc1
CCCCOc1ccc2cc(ccc2c1)C(=O)NO
ONC(=O)c1cccc(c1)-c1ccccc1
COc1ccc2cc(ccc2c1)C(=O)NO
ONC(=O)c1ccc(cc1)-c1cccc2ccccc12
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)c1ccccc1
ONC(=O)Cc1ccccc1
COC(=O)CCNC(=O)c1cccc(OCc2ccc3ccccc3c2)c1
COC(=O)CCC(=O)Nc1cccc(COc2ccc3ccccc3c2)c1
COC(=O)CCCC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
COC(=O)CC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1C
ON(C(=O)CCC([O-])=O)c1cccc(OCc2ccc3ccccc3c2)c1
CCOC(=O)CC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3c2)c1
COC(=O)CCC(=O)Nc1ccc(OCc2ccc3ccccc3n2)cc1
CCOC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCNC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCC(=O)Nc1cc(OCc2ccc3ccccc3n2)ccc1C
COC(=O)CCC(=O)Nc1cccc(Oc2ccc3ccccc3n2)c1
COC(=O)C(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCC(=O)N(O)c1cccc(COc2ccc3ccccc3c2)c1
COC(=O)CCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
COC(=O)CCC(=O)N(C)c1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)C(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
COC(=O)CCC(=O)Nc1ccccc1OCc1ccc2ccccc2c1
CCCCOc1ccc(CCN(O)C(C)=O)cc1
CC(C)C(=O)N(O)C(C)c1ccc(OCc2ccccc2)cc1
CCCCOc1ccc(cc1)C(C)N(O)C(=O)c1ccccc1
CC(N(O)C(=O)c1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1
CC(N(O)C(C)=O)c1ccc(\C=C\c2ccccc2)cc1
CC(=O)N(O)Cc1ccc(OCc2ccccc2)cc1
CCCCOc1ccc(cc1)C(CCCC)N(O)C(C)=O
CC(C)C(N(O)C(C)=O)c1ccc(OCc2ccccc2)cc1
CCCCOc1ccc(cc1)C(CC)N(O)C(C)=O
CC(N(O)C(C)=O)c1ccc(OCc2c(C)cc(C)cc2C)cc1
CCCCOc1ccc(CN(O)C(C)=O)cc1
CCCCOc1ccc(cc1)C(C(C)C)N(O)C(C)=O
CC(N(O)C(=O)c1ccccc1)c1ccc(OCc2ccncc2)cc1
CC(N(O)C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1
CC(N(O)C(=O)c1ccccc1)c1ccccc1Oc1ccccc1
CCCCOc1ccc(cc1)C(C)N(O)C=O
CC(Oc1ccc(cc1)C(C)N(O)C(C)=O)c1ccccc1
CCCCOc1ccc(cc1)C(C)(C)N(O)C(C)=O
CC(C)C(N(O)C(C)=O)c1ccc(OCCc2ccccc2)cc1
CCCCOc1ccc(CCC(C)N(O)C(C)=O)cc1
CCCCOc1ccc(OCCN(O)C(C)=O)cc1
CC(N(O)C=O)c1ccc(OCc2ccccc2)cc1
CC(N(O)C(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1
CCCCOc1ccc(CC(C)N(O)C(C)=O)cc1
CC(N(O)C(C)=O)c1ccc(SCc2ccccc2)cc1
CCCCOc1ccc(CCCN(O)C(C)=O)cc1
CC(N(O)C(C)=O)c1ccc(Oc2ccc-3c(Cc4ccccc-34)c2)cc1
CCCCOc1cccc(c1)C(C)N(O)C(C)=C
CC(Oc1ccccc1)c1ccc(OCCN(O)C(C)=O)cc1
CC(C)C(Oc1ccc(cc1)C(C)N(O)C(C)=O)c1ccccc1
CC(N(O)C(C)=O)c1ccc(Oc2ccccc2)cc1
CC(C)Cc1ccc(cc1)C(C)N(O)C(C)=O
CC(N(O)C(C)=O)c1ccc2ccccc2c1
CN(O)C(=O)\C=C\c1cccc(Oc2ccccc2)c1
CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
CC[C@]1(CCO[C@H](C)C1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 |r|
CC[C@@](COC)(OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
CC[C@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CC[C@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
COC1(CCc2ccc(OCc3ccc4ccccc4c3)cc12)c1cncs1
CC[C@]1(CCO[C@@H](C)C1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 |r|
CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CC[C@](COC)(OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
CN(O)C1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:3|
CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
CCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCOc1c(OC)cc(OC)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
COc1cc2oc(cc(=O)c2c(OC)c1OCCC(C)C)-c1ccc(O)c(O)c1
CCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCCCOc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(O)c(O)c1
CCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCOc1cc(OC)c(OC)c2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
COc1cc(OC)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
CCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCOc1cc(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
CCCCCCCCCCCCOc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
CCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
CCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
COc1cc2oc(cc(=O)c2c(O)c1OCCC(C)C)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCCCOc1cc(OC)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c1OC
CCCCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
CCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
CCCCCCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
CCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
COc1cc2oc(cc(=O)c2c(OCCC(C)C)c1OC)-c1ccc(O)c(O)c1
CCCCCCCCCCCCOc1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
COC(=O)CCC(=O)N(C)c1cccc(OCc2nc3ccccc3s2)c1
COC(=O)C1CN(C(=O)C1)c1cccc(OCc2nc3ccccc3o2)c1
COC(=O)C1CN(C(=O)C1)c1cccc(OCc2ccc3ccccc3n2)c1
COC(=O)CCC(=O)Nc1cccc(Oc2nc3ccccc3s2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2cc3ccccc3o2)c1
COC(=O)CC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3o2)c1
COC(=O)CCC(=O)N(O)c1cccc(OCc2nc3ccccc3s2)c1
COC(=O)C1CN(C(=O)C1)c1cccc(OCc2nc3ccccc3s2)c1
COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1
CCC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CNC(=O)N(O)CC1COc2cc(Oc3ccccc3)ccc2O1
NC(=O)N(O)CC1COc2cc(Oc3ccccc3)ccc2O1
ON(CC1COc2ccccc2O1)C(=O)NCc1ccccc1
CNC(=O)N(O)CC1COc2ccc(Oc3ccccc3)cc2O1
NC(=O)N(O)C[C@@H]1COc2ccc(Oc3ccc(F)cc3)cc2O1
NC(=O)N(O)CC1COc2ccc(Oc3ccc(F)cc3)cc2O1
CCCCNC(=O)N(O)CC1COc2ccccc2O1
NC(=O)N(O)CC1COc2ccccc2O1
ON(CC1COc2ccccc2O1)C(=O)NCC=C
NC(=O)N(O)C[C@H]1COc2ccc(Oc3ccc(F)cc3)cc2O1
NC(=O)N(O)CC1COc2ccc(Oc3ccccc3)cc2O1
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23
CCCCC\C=C/C\C=C/C=C/C=C/C1CC1CC(O)=O
CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(=O)OC |w:13.12,11.10|
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CO)CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O
CCCCCCCCCCCCCCC1CC1CCCC(O)=O
CCCCC\C=C/C\C=C/C=C/C=C/C1SC1CCCC(=O)OC
CCCCC\C=C/C\C=C/C=C/C=C/C1CC1CCCC(O)=O
CCCCC\C=C/C\C=C/C=C/C=C/C1CC1CCCCC(O)=O
CCCCCCC=CC(=O)CC\C=C/C=C/C(O)CCCC(=O)OC |w:6.5|
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O
Cc1c(CCN2CCN(CC2)c2cc(C)ccn2)c2cc(O)cc3CCCn1c23
Cc1ccc(cc1)C(O)c1nc2CCCCCc2cc1C
COc1ccc(cc1)-c1cc2cc3c(cc2o1)occ(C=O)c3=O
O=C1NCCN(N1)c1ccccc1
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(-c4ccoc4)c4COC(=O)c4cc3c2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
FC(F)(F)c1ccc(N\N=C\c2coc3c4cc(oc4ccc3c2=O)-c2ccc(Cl)cc2)cc1
CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(F)c4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4ccccc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COc4ccccc4CC(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCSc4ccccc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4ccc(Cl)cc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccccn3)ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(F)cc4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COCc4ccccc4C(O)=O)c(S1)c23
COc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c4SC(C)Cc2c34)nc1
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4cccc(c4)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(COc4ccccc4CC(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCc4ccccc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(CCOc4ccccc4CC(O)=O)c(S1)c23
CC1Cc2c(OCc3cc4ccccc4cn3)ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c(S1)c23
NC(=O)N(O)C1COc2cc(OCc3ccccc3)ccc12
NC(=O)N(O)C1CCCc2cc(OCc3ccccc3)ccc12
NC(=O)N(O)C1CCc2cc(OCc3ccccc3)ccc12
C\C(=N/OCC#N)c1ccc(cc1)S(=O)(=O)c1ncc(s1)[C@@]1(C)COC(C)(C)O1
CN1C(=O)COc2ccc(Sc3cc(cs3)C3(C)COC(C)(C)O3)cc12
CN(C(C)=O)c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
CCN(CC)C(=O)Cc1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
COC1(CCOCC1)c1cc(OCc2ccc3n(C)c(=O)ccc3c2)cc(F)c1C
CN(C(C)=O)c1ccc(cc1)S(=O)(=O)c1cc(cs1)C1(C)COC(C)(C)O1
COC1(CCOCC1)c1cc(Sc2ccc3N(C)C(=O)CCc3c2)cc(F)c1C
CC(=O)c1ccc(Sc2ncc(s2)[C@@]2(C)COC(C)(C)O2)cc1
CN(C(C)=O)c1ccc(Sc2cc(cs2)[C@@]2(C)COC(C)(C)O2)cc1
COC1(CCOCC1)c1cc(Sc2ccc(cc2)N(C)C(C)=O)cc(F)c1C
CO\N=C(/C)c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
Cn1c2cc(CSc3cc(cs3)C3(C)COC(C)(C)O3)ccc2ccc1=O
COC1(CCOCC1)c1cc(Sc2ccc(cc2)C(C)N=O)cc(F)c1C
CC(N=O)c1ccc(cc1)S(=O)(=O)c1ncc(s1)[C@@]1(C)COC(C)(C)O1
CN(C(C)=O)c1ccc(Sc2cc(cs2)[C@]2(C)COC(C)(C)O2)cc1
CC(N=O)c1ccc(Sc2cc(cs2)[C@@]2(C)COC(C)(C)O2)cc1
C\C(=N/OCC#N)c1ccc(cc1)S(=O)(=O)c1cc(cs1)[C@@]1(C)COC(C)(C)O1
CC(N=O)c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
CN(c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1)S(C)(=O)=O
CN1C(=O)CCc2ccc(Sc3ncc(s3)[C@@]3(C)COC(C)(C)O3)cc12
C\C(=N/OCC#N)c1ccc(Sc2ncc(s2)[C@@]2(C)COC(C)(C)O2)cc1
COC1(CCOCC1)c1cc(Sc2ccc3N(C)C(=O)COc3c2)cc(F)c1C
C\C(=N/OCCN1CCOCC1)c1ccc(Sc2cc(cs2)[C@@]2(C)COC(C)(C)O2)cc1
CC1(C)OCC(C)(O1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1sc(Sc2ccc3N(C)C(=O)CCc3c2)nc1C
COC1(CCOCC1)c1cc(Sc2ccc3N(C)C(=O)CCc3c2)sc1C
COC1(CCOCC1)c1cc(ccc1C)S(=O)(=O)c1ccc2n(C)c(=O)ccc2c1
CC(=O)c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
CN1C(=O)CCc2ccc(Sc3cc(cs3)C3(C)COC(C)(C)O3)cc12
C\C(=N/OCC#N)c1ccc(Sc2cc(cs2)[C@@]2(C)COC(C)(C)O2)cc1
CN(C(C)=O)c1ccc(Sc2ncc(s2)[C@@]2(C)COC(C)(C)O2)cc1
CC(N=O)c1ccc(Sc2ncc(s2)[C@@]2(C)COC(C)(C)O2)cc1
CN(C)S(=O)(=O)c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
CC(N=O)c1ccc(cc1)S(=O)(=O)c1cc(cs1)[C@@]1(C)COC(C)(C)O1
CN(C(C)=O)c1ccc(Sc2ncc(s2)[C@]2(C)COC(C)(C)O2)cc1
CC(C)(C)c1cc(\C=C2/CCOC2=O)cc2c1OCC2(C)C
CCC(OC)(c1nccs1)c1cccc(OCC#Cc2ccccc2)c1
CC(N(O)C(C)=O)c1ccc2oc(cc2c1)-c1ccccc1
COc1ccc2cc(ccc2c1)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
COCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
CCCCCCCCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1cc(OC)c(OC)c(OC)c1
CCOC(=O)CCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
COc1cc(cc(OC)c1OC)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
CC(N(O)C(=O)c1ccco1)c1ccc2oc(cc2c1)-c1ccccc1
CC(N(O)C(=O)COC(C)=O)c1ccc2oc(cc2c1)-c1ccccc1
COc1ccc(cc1OC)C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
CC(N(O)C(C)=O)c1ccc(OCCc2ccccc2)cc1
CC(N(O)C(N)=O)c1ccc2oc(cc2c1)-c1ccccc1
CCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
COc1cccc(OC)c1C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
CCCCCCCCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
CC(N(O)C(=O)c1ccccc1)c1ccc2oc(cc2c1)-c1ccccc1
COc1cc(cc(OC)c1OC)-c1cc2cc(ccc2o1)C(C)N(O)C(N)=O
CC(N(O)C(=O)CO)c1ccc2oc(cc2c1)-c1ccccc1
CCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
CC(N(O)C(=O)c1cccs1)c1ccc2oc(cc2c1)-c1ccccc1
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
NC(=O)N(O)CC1COc2ccc(Oc3ccccc3)cc2C1
COc1ccc2CC(CN(O)C(N)=O)COc2c1
CCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:9|
CCCC1Oc2ccc(Oc3ccccc3)cc2C=C1CN(O)C(N)=O |c:20|
NC(=O)N(O)CC1=Cc2cc(OCC3CCCCC3)ccc2OC1 |t:6|
CCCCCCCc1ccc2OCC(CN(O)C(N)=O)=Cc2c1 |c:19|
NC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OC1 |t:6|
CC1(C)Oc2ccc(Oc3ccccc3)cc2C=C1CN(O)C(N)=O |c:19|
CC1Oc2ccc(Oc3ccccc3)cc2C=C1CN(O)C(N)=O |c:18|
ON(CC1=Cc2cc(Oc3ccccc3)ccc2OC1)C(=O)NCc1ccccc1 |t:3|
CC(N(O)C(N)=O)C1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:7|
CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:8|
ON(CC1=Cc2cc(Oc3ccccc3)ccc2OC1)C(=O)Nc1ccccc1 |t:3|
CC1Oc2ccc(OCc3ccccc3)cc2C=C1CN(O)C(N)=O |c:19|
NC(=O)N(O)CC1=Cc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2OC1 |t:6|
COc1ccc2OCC(CN(O)C(N)=O)=Cc2c1 |c:14|
CCCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:10|
CCOC(=O)CNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:12|
CC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:6|
CC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:9|
NC(=O)N(O)CC1=Cc2cc(ccc2OC1)-c1ccccc1 |t:6|
NC(=O)N(O)CC1=Cc2cc(Br)ccc2OC1 |t:6|
COc1ccc2C=C(COc2c1)C(=O)N(C)O |c:6|
NC(=O)N(O)CC1=Cc2cc(OCc3ccccc3)ccc2OC1 |t:6|
ON(CC1=Cc2cc(Oc3ccccc3)ccc2OC1)C(=O)NCC=C |t:3|
NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1c1ccccc1 |t:6|
CN(O)C(=O)C1=Cc2cc(OCc3ccccc3)ccc2OC1 |t:5|
CNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:7|
Cc1cc(CCc2cccs2)cc(C)c1O
Cc1cc(\C=C\c2c(F)cccc2F)cc(C)c1O
Cc1cc(\C=C\c2ccc3ccccc3c2)cc(C)c1O
CCCC\C(=C/c1cc(C)c(O)c(C)c1)c1ccc(F)cc1
Cc1cc(\C=C\c2ccccc2OCc2ccccc2)cc(C)c1O
Cc1cc(\C=C\c2csc3ccccc23)cc(C)c1O
Cc1cc(\C=C\c2ccc(F)cc2F)cc(C)c1O
CC(C)c1cc(\C=C\c2cccs2)cc(C(C)C)c1O
Cc1cc(\C=C\c2cc(F)cc(F)c2)cc(C)c1O
COc1ccc(\C=C\c2cc(C(C)C)c(O)c(c2)C(C)C)cc1
CCc1cc(\C=C\c2ccc(OC)cc2)cc(CC)c1O
Cc1cc(\C=C\c2ccccc2C(F)(F)F)cc(C)c1O
Cc1ccc(\C=C\c2cc(C)c(O)c(C)c2)s1
CCCOc1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
Cc1cc(\C=C\c2cccs2)cc(F)c1O
Cc1cc(\C=C\c2cccc3ccccc23)cc(C)c1O
CCc1cc(\C=C\c2ccc(C)cc2)cc(CC)c1O
Cc1cc(\C=C\c2cccs2)cc(Cl)c1O
Cc1cc(\C=C\c2ccccc2Br)cc(C)c1O
Cc1cc(\C=C\c2ccccn2)cc(C)c1O
Cc1cc(\C=C\c2ccc(Cl)s2)cc(C)c1O
CCc1cc(\C=C\c2cccnc2)cc(CC)c1O
COc1cc(\C=C\c2cccs2)cc(F)c1O
CCC(OC)(c1nccs1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
COC1(CCOCC1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
CCC(OC)(c1nccs1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
CCC(OC)(c1nccs1)c1cccc(COc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cccc(COc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
CC(N(C)C(=O)Cc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOC(C)(C)C(O)=O)c(S1)c23
CC(N(CCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(C)=O)C(O)=O
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CSCCC(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COCCC(O)=O)c(S1)c23
CC(CC(O)=O)SCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23
CC[C@H](CSCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOCCC(O)=O)c(S1)c23
CCC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(=O)NS(C)(=O)=O
CC[C@@H](CSCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(=O)NS(C)(=O)=O
CC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)c1nnn[nH]1
CC(NCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Oc1cccc2Cc3cccc(O)c3C(=O)c12
CNC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OC1 |t:7|
NC(=S)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:6|
CC(C)(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:10|
CCCCCCOc1ccc2OCC(CN(O)C(N)=O)=Cc2c1 |c:19|
CC(C)(C)c1ccc(Oc2ccc3OCC(CN(O)C(N)=O)=Cc3c2)cc1 |c:21|
CN(O)C(=O)C1=Cc2ccccc2OC1 |t:5|
NC(=O)N(O)CC1=Cc2cc(OCCCc3ccccc3)ccc2OC1 |t:6|
COc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
CCCCOc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(OC)c1
CCOc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1ccc(OC(C)C)cc1C(=O)\C=C\c1ccc(O)c(O)c1
COc1ccc(C)cc1C(=O)\C=C\c1ccc(O)c(O)c1
COc1cccc(OC)c1C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
Oc1ccc(\C=C\C(=O)c2ccccc2-c2cccnc2)cc1O
Cc1cc(C)c(C(=O)C=Cc2ccc(O)c(O)c2)c(C)c1 |w:9.9|
CN(C)c1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O
Oc1ccc(\C=C\C(=O)c2ccccc2-c2cccs2)cc1O
CCOc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccc(cc2)[N+]([O-])=O)cc1O
COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccccc2Cl)cc1O
Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
CCOc1ccc(OC)cc1C(=O)\C=C\c1ccc(O)c(O)c1
Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Cc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1cc(\C=C\C(=O)c2ccccc2O)ccc1O
Cc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1ccccc1C(=O)\C=C\c1ccc(O)c(O)c1
CC(C)Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Cc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Cc1ccc(C)c(c1)C(=O)C=Cc1ccc(O)c(O)c1 |w:11.12|
CN(C)c1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(O)c(O)c1
Cc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)c(C)c1 |w:8.8|
Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(OC)c1
COc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
CC(C)Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
CC(C)c1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccccc2C(F)(F)F)cc1O
COc1cc(ccc1O)C(=O)\C=C\c1ccc(O)c(O)c1
c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O
COc1ccc(cc1OC)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
CCOc1ccc(OCC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Cn1c2ccc(COc3cccc(c3)C3(C)CCOCC3)cc2ccc1=O
CC(=O)C1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
CO[C@@](C)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1C
CCC1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
COC(C)(c1nccs1)c1cc(OCc2ccc3ccccc3c2)ccc1C
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Cn1c2ccc(COc3cc(F)cc(c3)C3(O)CCOCC3)cc2ccc1=O
CCOC(=O)C1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Cn1c2ccc(COc3cccc(c3)C3(CCOCC3)C=O)cc2ccc1=O
COCC1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Cn1c2ccc(COc3cccc(c3)C3(CO)CCOCC3)cc2ccc1=O
CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
[#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
CC(C)(C)c1cc(\C=C2/OC(=S)NC2=O)cc(c1O)C(C)(C)C
CN1C(=O)NC(=O)\C1=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
C\C(=C1\SC(=O)NC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(C=C2OC(NC#N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:13|
CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1)C(C)(C)C
CC(C)(C)c1cc(C=C2SC(NO)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:12|
CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
CN1C(NC#N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:10.11,c:5|
Oc1c(cc(\C=C2/SC(=O)NC2=O)cc1-c1ccccc1)-c1ccccc1
CC(C)(C)c1cc(C=C2OC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
CC(C)(C)c1cc(\C=C2/SC(=S)NC2=O)cc(c1O)C(C)(C)C
C\C(=C1\SC(=S)NC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CN1C(=S)NC(=O)\C1=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14|
CC(C)c1cc(\C=C2/SC(=O)NC2=O)cc(C(C)C)c1O
CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11|
CC(C)(C)c1cc(\C=C2/CC(=S)NC2=O)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C
CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=C)c1sc(NC#N)nc1O
CC(C)(C)c1cc(C=C2SC(NC#N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:13|
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(CCCc4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(=O)(=O)C(F)(F)F)c(S1)c23
CC(C)(Cc1c2SCCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CSc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12
CC1Cc2c(OCc3ccc(cc3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CCCCn1c(CC(C)(C)C(O)=O)c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc1c23
CC1Cc2c(OCc3ccccn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
COc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
CC1Cc2c(OCc3ccc(cn3)C(O)=O)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(cc4)S(C)(=O)=O)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CCC(O)=O)c(S1)c23
CC1Cc2c(OCc3cccc(n3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(CC4CCCCC4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(=O)NS(C)(=O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(c23)S1(=O)=O
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(cn4)-c4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccccn4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(O)=O)c(S1)c23
CC(C)(Cc1c2SCCc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(C(=O)c4ccccc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)CC(O)=O)c(S1)c23
C[C@@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
CC1Cc2c(OCc3cccs3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
COc1cccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)c1
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3[nH]c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)C#N)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CCCCc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c4SC(C)Cc2c34)nc1
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(C)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(CCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
COc1ccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)cc1
CC(C)(Cc1c2SC(C)(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
CC1Cc2c(OCc3cc(ccn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(SCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(O)=O)c(S1)c23
CC1Cc2c(OCc3cc4ccccc4cn3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CCC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(C(O)=O)c(S1)c23
C[C@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)s2)c1Cl
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(N)s2)c1Cl
Cn1c(n[nH]c1=S)-c1ccccc1Nc1cccc(c1)C(F)(F)F
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)o2)c1
Nc1nnc(s1)-c1ccccc1Nc1cccc(c1)C(F)(F)F
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)o2)c1Cl
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)o2)c1Cl
Cc1cccc(Nc2ccccc2-c2nnc(S)o2)c1C
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(NC#N)o2)c1
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl
Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(NC#N)s2)c1
Nc1nnc(o1)-c1ccccc1Nc1cccc(c1)C(F)(F)F
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)s2)c1
CN(O)C(=O)CCc1ccc2OCc3ccccc3Cc2c1
CCN(O)CCc1ccc2OCc3ccccc3Cc2c1
ONC(=O)CCCCCCCCc1ccccc1
CON(C)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
ONC(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
CC(C(=O)N(C)O)c1ccc2OCc3ccccc3C(=O)c2c1
CN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CN(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CC(=O)N(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CN(O)C(=O)C(C)(C)Cc1ccc2OCc3ccccc3C(=O)c2c1
CC(=O)N(O)Cc1ccc2OCc3ccccc3C(=O)c2c1
ON(C1CCCCC1)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
ON(C1CCCCC1)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CCN(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CC(C)N(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
CC(C)N(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CN(O)CCCc1ccc2OCc3ccccc3C(=O)c2c1
CCN(O)CCc1ccc2OCc3ccccc3C(O)c2c1
CCN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CC(C)N(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
CCN(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Cc1cccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(c1)-c1ccccc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(Cl)c1
COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1OC
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccccc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccccc1
OC(=O)c1cccc(c1)C(=O)Oc1cccc2ccccc12
OC(=O)c1cccc(c1)C(=O)Nc1cccc2ccccc12
OC(=O)c1cccc(c1)C(=O)Nc1ccccc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc(Cl)c1Cl
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccc(cc1)-c1ccccc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(Br)c1
OC(=O)c1cccc(c1)C(=O)OCc1ccccc1
CCCc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
[O-][N+](=O)c1cccc(c1)C(=O)Oc1cccc2ccccc12
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc(c1)-c1ccccc1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)NCc1cccc(Br)c1
OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1
Brc1cccc(n1)N1CCNC(=O)N1
CC1CN(NC(=O)N1O)c1cccc(Cl)c1
Fc1cc(F)cc(c1)N1CCNC(=O)N1
CC1(C)CN(NC(=O)N1)c1ccccc1
O=C1NCCN(N1)c1cccc(n1)-c1ccccn1
CN1CCN(NC1=O)c1ccccc1
CC1CN(NC(=O)N1)c1cccc(Br)n1
O=C1NCCN(N1)c1cccc(c1)-c1cccs1
CC1CN(NC(=O)N1)c1ccccc1
Nc1cccc(c1)N1CCNC(=O)N1
Cc1cccc(n1)N1CCNC(=O)N1
CC1CN(NC(=O)N1O)c1cccc(C)c1
CC1CN(NC(=O)N1)c1cccc(F)n1
CCC1CN(NC(=O)N1)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCNC(=O)N1
Clc1ccc2c(ccnc2c1)N1CCNC(=O)N1
Cc1cc(C)cc(c1)N1CCNC(=O)N1
Fc1ccc(OC2CN(NC(=O)N2)c2ccccc2)cc1
CSc1cccc(c1)N1CCNC(=O)N1
CC1CN(NC(=O)N1)c1cccc(Cl)c1
CON1C(C)CN(NC1=O)c1ccccc1
CC1CN(NC(=O)N1)c1cccc(C)n1
CC1CN(NC(=O)N1)c1cccc(F)c1
CC1CN(NC(=O)N1)c1cccc(Cl)n1
COc1cccc(n1)N1CCNC(=O)N1
COCCOCC1CN(NC(=O)N1)c1ccccc1
O=C1NCCN(N1)c1ccccn1
Cc1ccc(cc1)N1CCNC(=O)N1
Fc1cccc(n1)N1CCNC(=O)N1
CC(C)C1CN(NC(=O)N1)c1ccccc1
CC1CN(NC(=O)N1O)c1ccccc1
Clc1cccc(c1)N1CCNC(=O)N1
O=C1NCCN(N1)c1cccc(c1)-c1nccs1
Oc1cccc(c1)N1CCNC(=O)N1
Fc1cccc(c1)N1CCNC(=O)N1
CC1CN(NC(=O)N1)c1cccc(Br)c1
O=C1NCCN(N1)c1cccnc1
Clc1cccc(n1)N1CCNC(=O)N1
CCc1cccc(c1)N1CCNC(=O)N1
COc1cccc(n1)N1CC(C)NC(=O)N1
CC1CN(NC(=O)N1)c1cccc(c1)-c1cccs1
Cc1cccc(c1)N1CCNC(=O)N1
OCC1CN(NC(=O)N1)c1ccccc1
O=C1NCCN(N1)c1cccc(c1)-c1ccccn1
Cc1ccccc1N1CCNC(=O)N1
O=C1NCCN(N1)c1nc2ccccc2s1
CC1CN(NC(=O)N1)c1cccc(C)c1
O=C1NCCN(N1)c1cnc2ccccc2c1
COc1cccc(c1)N1CCNC(=O)N1
CCN1CCN(NC1=O)c1ccccc1
O=C1NC(CN(N1)c1ccccc1)Oc1ccccc1
O=C1NCCN(N1)c1cccc(n1)-c1cccs1
O=C1NCCN(N1)c1cccc(c1)-c1ccncc1
O=C1NCCN(N1)c1cccc(OCc2ccccc2)c1
O=C1NCCN(N1)c1cccc(c1)-c1ccsc1
O=C1NN(CCN1Cc1ccccc1)c1ccccc1
CCCCC1CN(NC(=O)N1)c1ccccc1
Brc1cccc(c1)N1CCNC(=O)N1
O=C1NCCN(N1)c1nc2ccccc2o1
O=C1NCCN(N1)c1ccncc1
CC1CN(NC(=O)N1)c1cccc(c1)-c1ccco1
[O-][N+](=O)c1cccc(c1)N1CCNC(=O)N1
COc1ccc2C(CCCc2c1)N(O)C(N)=O
NC(=O)N(O)C1COc2cc(Oc3ccccc3)ccc12
COc1ccc(COc2cccc3C(CCCc23)N(O)C(N)=O)cc1
NC(=O)N(O)C1CCCc2cc(CCc3ccccc3)ccc12
COc1ccc(COc2ccc3C(COc3c2)N(O)C(N)=O)cc1
Cc1c2C(CCn2c2ccc(Oc3ccccc3)cc12)N(O)C(N)=O
NC(=O)N(O)C1CCc2cccc(Oc3ccccc3)c12
NC(=O)N(O)C1COc2ccc(Oc3ccccc3)cc12
NC(=O)N(O)C1CCCc2c(Oc3ccccc3)cccc12
NC(=O)N(O)C1CCCc2cc(OCc3ccc4ccccc4c3)ccc12
NC(=O)N(O)C1CCc2cc(Oc3ccccc3)ccc12
NC(=O)N(O)C1COc2ccc3ccccc3c12
NC(=O)N(O)C1CCCc2cc(ccc12)-c1ccccc1
CCc1ccc2n3CCC(N(O)C(N)=O)c3cc2c1
COc1ccc(COc2ccc3C(CCc3c2)N(O)C(N)=O)cc1
NC(=O)N(O)C1CCCc2cc(OCc3ccc(Cl)cc3)ccc12
NC(=O)N(O)C1CCn2c1cc1cc(Cl)ccc21
NC(=O)N(O)C1CCCc2c1ccc1ccccc21
NC(=O)N(O)C1CCCc2ccccc12
NC(=O)N(O)C1CCCc2c(OCc3ccccc3)cccc12
NC(=O)N(O)C1CCn2c1cc1ccccc21
NC(=O)N(O)C1CCCc2ccc(OCc3ccccc3)cc12
NC(=O)N(O)C1COc2c1ccc1ccccc21
NC(=O)N(O)C1CCn2c1cc1cc(Oc3ccccc3)ccc21
NC(=O)N(O)C1CCn2c1cc1cc(OCc3ccccc3)ccc21
CC(C)c1ccc2n3CCC(N(O)C(N)=O)c3c(C)c2c1
CNc1oc(nc1C#N)-c1cccc2ccccc12
CNc1oc(nc1C#N)-c1cccc(Cl)c1Cl
CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
CNc1sc(nc1C#N)-c1cccc2ccccc12
Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Cl
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2F
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(Br)cc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
COc1ccc2cc(ccc2c1)[C@H](C)N(O)C(N)=O
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CNC(=O)N(C)O)c2c1
CC(C)Cc1ccc(cc1)C(C)NC(=O)NO
CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCN(O)C(N)=O)c2c1
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
CC(C)Cc1ccc(cc1)C(C)N(O)C(N)=O
COc1ccc2cc(ccc2c1)[C@H](C)NC(=O)NO
Cn1c2CCCCCc2c2cc(O)ccc12
CCOC(=O)c1c(CSc2ccc(F)cc2)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2cccc(Cl)c2)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccc(F)cc2F)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2c(C)cccc2C)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2cc(C)cc(C)c2)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccc(OC)cc2)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccc(OC(F)(F)F)cc2)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccccc2C(F)(F)F)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccc(cc2)C(F)(F)F)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)cc12
CCOC(=O)c1c(CSc2ccccc2OC)n(C)c2ccc(O)cc12
[O-][N+](=O)c1ccc2C(Nc3ccccc3)=NS(=O)(=O)c2c1 |c:15|
[O-][N+](=O)c1ccc2C(Nc3cccc(Cl)c3)=NS(=O)(=O)c2c1 |c:16|
[O-][N+](=O)c1ccc2C(Nc3cccc(Br)c3)=NS(=O)(=O)c2c1 |c:16|
COc1ccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |t:7|
COc1ccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)cc1OC |t:7|
[O-][N+](=O)c1ccc2C(NCc3cccc(Br)c3)=NS(=O)(=O)c2c1 |c:17|
[O-][N+](=O)c1ccc2C(Nc3cccc4ccccc34)=NS(=O)(=O)c2c1 |c:20|
Cc1ccccc1NC1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |t:9|
CC(C)c1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:9|
CC(C)(C)c1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:10|
COc1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:8|
[O-][N+](=O)c1ccc2C(Nc3cccc(c3)-c3ccccc3)=NS(=O)(=O)c2c1 |c:22|
[O-][N+](=O)c1ccc2C(Nc3cccc4ncccc34)=NS(=O)(=O)c2c1 |c:20|
[O-][N+](=O)c1ccc2C(Nc3cccc4c(Br)cccc34)=NS(=O)(=O)c2c1 |c:21|
[O-][N+](=O)c1ccc2C(Nc3cccc4OCOc34)=NS(=O)(=O)c2c1 |c:19|
Oc1oc(CCC#Cc2ccc(Cc3ccc(F)cc3)s2)c(O)c1O
C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
Oc1oc(CCC#Cc2ccccc2CSc2ccccc2)c(O)c1O
CCC\C=C/Cc1ccccc1C#CCCc1oc(O)c(O)c1O
Oc1oc(CCC#Cc2cccc3ccccc23)c(O)c1O
COc1cc(CCC(=O)CC(=O)CCc2cc(CCC(C)C)c(O)c(OC)c2)cc(CCC(C)C)c1O
COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
COc1cc(\C=C\C(=O)CC(=O)c2ccc(O)c(OC)c2)ccc1O
COc1cc(\C=C\c2cc([nH]n2)-c2ccc(O)c(OC)c2)ccc1O
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)\[#6]=[#6]\c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8]-[#6])c2)cc(-[#6]\[#6]=[#6](/[#6])-[#6])c1-[#8]
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(CCC(C)C)c(O)c(OC)c2)cc(CCC(C)C)c1O
COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
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(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8]-[#6])c2)cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C
CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1
CC(C)(Cl)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CC(C)CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C
CC(C)(C)c1cc(cc2c1OCCC2(C)C)C(=O)CCCC1CC1
CCC1(C)COc2ccc(cc12)C(=O)CCCC1CC1
CC(C)(C)c1cc(cc2CCOc12)C(=O)CCCC1CC1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1 |c:18|
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1|
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O |r,c:1|
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C=C2OC1=O |r,c:1,13|
[#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Cc1coc2C[C@@]3(C)CCCC(=C)[C@@H]3Cc12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-1=[#6]-[#6](=O)-[#6]=[#6](-[#6])-[#6]-1=O |w:8.8,t:10,14|
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCC)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CC(C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=N)N1CCCC1
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1cccs1
CC(C)(C)c1cc(\C=C/c2cccs2)cc2c1OCC2(C)C
CCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CC(C)(C)c1cc(NN2CCC=N2)cc2c1OCC2(C)C |c:11|
CCN(C)C(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CN(C1CC1)C(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)NC1CC1
CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cccs1
COCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
CC(C)(C)c1cc(cc2c1OCC2(C)C)-c1cn2ccsc2n1
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cncc3c2)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(=O)n(Cc4ccccc4)c3c2)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(nc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cc(F)cc(SCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CC2COC(C1)O2)c1cc(F)cc(OCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
CCC(=O)N(O)CC#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(C)=O
CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(N)=O
COC(=O)N(O)CC#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(=O)N1CCOCC1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)c1ccco1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)c1cccnc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(N)=O
CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(=O)C(C)C
COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
CCC(C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(N)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C(C)C)N(O)C(N)=O
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(=O)c1ccncc1
CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(=O)OC
CCOC(=O)C(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1
CCCNC(=O)N(O)C(C)C#Cc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(OC)cc1
CCOC(=O)CCC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(=O)N1CCCCC1
CCOC(=O)CCC(=O)N(O)C(C)C#Cc1cc(-c2ccc(CC)cc2)n(n1)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CCN(O)C(=O)c1ccccc1
CCc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C#CC(C)N(O)C(=O)CCl
CC(=O)O[C@@H]1[C@@H]2[C@H](CC2(C)C)C(=C)CCC=C(C)C1=O |r,w:15.15|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
CC1=CCCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O |r,w:2.2|
CC1CCCC(=C)[C@H]2CC(C)(C)[C@@H]2C(=O)C1=O |r|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10,t:12|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C
CCc1ccc(Nc2nc3cc(ccc3o2)[N+]([O-])=O)cc1
COc1cccc(Nc2nc3cc(C)ccc3o2)c1
CCc1ccc(Nc2nc3cc(Cl)ccc3o2)cc1
Cc1ccc2oc(Nc3ccccc3)nc2c1
CSc1ccc(Nc2nc3cc(C)ccc3o2)cc1
N(c1nc2ccccc2o1)c1ccccc1
COc1ccc2oc(Nc3ccccc3)nc2c1
COc1ccc2oc(Nc3cccc(Br)c3)nc2c1
COc1ccc2oc(Nc3ccc(SC)cc3)nc2c1
CCc1ccc(Nc2nc3ccccc3o2)cc1
Clc1ccc2oc(Nc3ccccc3)nc2c1
COc1ccc2oc(Nc3ccc(cc3)C(C)C)nc2c1
CCc1ccc(Nc2nc3cc(C)ccc3o2)cc1
CCc1ccccc1Nc1nc2cc(C)ccc2o1
COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O
Oc1ccc2N(CCc2c1)NC(=O)c1ccccc1
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(C)cc2)n(n1)-c1ccc2ccccc2n1
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccccc2)cc1
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(C)cc2)n(n1)-c1ccccc1
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccccc1
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(Cl)nn1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(F)cc3)n(n2)-c2ccc(Cl)nn2)cc1
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc(Cl)nn2)cc1
COc1cc(\C=C2/CCn3c2nc2ccccc2c3=O)cc(OC)c1O
COc1cc(\C=C2/CCn3c2nc2ccccc2c3=O)cc(OC)c1OC(C)=O
CS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccccc1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1
CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]
Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
CCCCc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(C)(=O)=O
Cc1nccn1-c1ccc(COc2cc(F)cc(c2)C2(CCOCC2)S(C)(=O)=O)cc1
CSC1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
Cc1nccn1-c1ccc(COc2cc(F)cc(c2)C2(CCOCC2)C(N)=O)cc1
CCOC(=O)C1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
Cc1nccn1-c1ccc(COc2cc(F)cc(c2)C2(CCOCC2)C(O)=O)cc1
CCOC1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
Cc1nccn1-c1ccc(COc2cc(F)cc(c2)C2(CCOCC2)S(C)=O)cc1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
CN(C)C(=O)C1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
CNC(=O)C1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
Cc1nccn1-c1ccc(COc2cc(F)cc(c2)C2(O)CCOCC2)cc1
CC(=O)C1(CCOCC1)c1cc(F)cc(OCc2ccc(cc2)-n2ccnc2C)c1
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OCC(=O)N2CCOCC2)cc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OC(=O)N2CCOCC2)cc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccncc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cccnc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc[nH]1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1c[nH]c2ccccc12 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cccs1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ncc[nH]1 |t:8|
Cc1nc[nH]c1\C=C1/SC(=NC1=O)c1ccc(C)cc1 |c:10|
COc1ccc(\C=C2/SC(=NC2=O)c2cccnc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccncc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2cnccn2)cc1 |c:9|
[I-].COc1ccc(\C=C2/SC(=NC2=O)c2ccc[n+](C)c2)cc1 |c:9|
COc1ccc(\C=C2/C=C(OC2=O)c2ccc(C)cc2)cc1 |c:8|
COc1ccc(\C=C2/C=C(NC2=O)c2ccc(C)cc2)cc1 |c:8|
COc1ccc(\C=C2/N=C(OC2=O)c2ccc(C)cc2)cc1 |c:8|
COc1ccc(\C=C2/N=C(NC2=O)c2ccc(C)cc2)cc1 |c:8|
COc1ccc(\C=C2/OC(=NC2=O)c2ccc(C)cc2)cc1 |c:9|
COc1ccc(cc1)\N=C1/SC(=NC1=O)c1ccc(C)cc1 |c:12|
COc1ccc(NC2(OC)SC(=NC2=O)c2ccc(C)cc2)cc1 |c:11|
COc1ccc(\C=C2/S\C(NC2=O)=N\c2ccc(C)cc2)cc1
COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(C)cc2)cc1
COc1ccc(\C=C2/SC(N(C)C2=O)c2ccc(C)cc2)cc1
COc1ccc(cc1)C(=C)c1sc(nc1O)-c1ccc(C)cc1
[#6]-[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#16]-[#6](=[#7]-[#6]-1=O)-c1ccc(-[#6])cc1)\c1ccc(-[#8]-[#6])cc1 |c:12|
COc1ccc(\C=C\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1 |c:11|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\C12CC3CC(CC(C3)C1)C2 |t:8,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
[#6]-c1ccc(cc1)-c1nc(-[#8])c(\[#6]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)s1
COC1CCC(CC1)=Cc1sc(nc1O)-c1ccc(C)cc1
COc1ccc(Cc2sc(nc2O)-c2ccc(C)cc2)cc1
COc1ccc(cc1)-c1sc(nc1O)-c1ccc(C)cc1
COc1ccc(cc1)-c1sc(nc1C)-c1ccc(C)cc1
COc1ccc(Cc2sc(nc2O)-c2ccc(Cl)cc2)cc1
COc1ccc(cc1)-c1sc(nc1O)-c1ccc(Cl)cc1
COc1ccc(\C=C2\SC(=NC2=O)c2ccc(Cl)cc2)cc1 |c:9|
COc1ccc(\C=C2\SC(=NC2=O)c2cccc3ccccc23)cc1 |c:9|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OCCN2CCOCC2)cc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(cc1)N1CCOCC1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(cc1)S(C)(=O)=O |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cccc(c1)S(N)(=O)=O |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(N)cc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(cc1)C(O)=O |t:8|
COC(=O)\C=C\c1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1 |c:13|
COC(=O)c1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1 |c:11|
CC(=O)c1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1 |c:10|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(O)cc1 |t:8|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1 |c:9|
NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)o1
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1
CC(C#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1)N(O)C(N)=O
NC(=O)N(O)Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)O1
NC(=O)N(O)CCC#C[C@H]1CC[C@H](CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)O1
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)O1
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
CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
CC(=O)c1cccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c1
Clc1ccc(cc1)-c1csc(Nc2cc(Cl)cc(Cl)c2)n1
FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
FC(F)(F)Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
FC(F)(F)c1cc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc(c1)C(F)(F)F
OC(c1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1)(C(F)(F)F)C(F)(F)F
Clc1ccc(cc1)-c1csc(Nc2ccc3OCCOc3c2)n1
Clc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1
Clc1ccc(cc1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1
COc1ccc(cc1)-c1csc(Nc2ccccc2)n1
Oc1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
Oc1ccc(cc1)-c1csc(Nc2ccc(F)cc2)n1
CC(=O)c1ccc(Nc2nc(cs2)-c2ccc(F)cc2)cc1
Clc1ccc(Nc2nc(cs2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
Nc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Cc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
CCOc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Oc1cccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c1
Oc1cccc(Nc2nc(cs2)-c2ccccc2)c1
COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
COc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
COc1ccccc1Nc1nc(cs1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1csc(Nc2ccccc2)n1
COc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1OC
COc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c(OC)c1
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)C(O)=O)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3CCCCc3c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)cc2F)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)c(F)c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(C)cc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O
OC(=O)CSc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1
CCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O
CCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc-3c(CCc4cc(OC)ccc-34)s2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccc(Br)cc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
[#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
[#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
[#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)c(Cl)c2)c1
COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(F)cc2)c1
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1
COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC
COc1cc(OC)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
COc1ccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc1OC
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C#N)cc1-c1ccccc1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)cc2)c1
CCOc1cccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)N2CCOCC2)cc1-c1ccccc1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(OC(F)(F)F)cc2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)cc2)c1
COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
CCOC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CC(C)OC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
ON(CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1)C(=O)OCc1ccccc1
CC(C)COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2cccnc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc(cc2)-c2csc(C)n2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1ccccc1)C(O)=O
CCCC\C(=C/c1cc(Oc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCC(c2ccccc2)c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O |(5.33,-7.4,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.55,;6.67,-.78,;8,-1.56,;7.99,-3.1,;9.32,-3.88,;9.32,-5.42,;10.65,-6.19,;11.99,-5.42,;11.99,-3.88,;10.66,-3.11,;13.32,-6.2,;13.32,-7.43,;14.39,-5.58,;14.38,-6.82,;6.67,.76,;5.34,1.53,;4.01,.77,;2.68,1.54,;2.68,3.08,;1.35,3.86,;1.36,5.4,;.02,6.17,;-1.31,5.41,;-1.32,3.87,;.02,3.09,;-2.64,6.18,;-2.64,7.41,;-3.71,5.57,;-3.71,6.8,;1.33,-3.85,;1.32,-5.08,;.26,-3.23,)|
Cc1cc(C)n(n1)-c1ccc(Sc2cccc(c2)C2(CCOCC2)C(N)=O)cc1
Cc1nccn1Cc1ccc(Sc2cccc(c2)C2(CCOCC2)C(N)=O)cc1
Cc1nccn1-c1ccc(Sc2cccc(c2)C2(CC3CCC(C2)O3)C(N)=O)cc1 |TLB:15:17:24:20.21,THB:25:17:24:20.21|
CO\N=C\C1(CCOCC1)c1cccc(Sc2ccc(cc2)-n2ccnc2C)c1
NC(=O)C1(CCOCC1)c1cccc(Sc2ccc(cc2)-n2cnnc2)c1
Cc1nccn1-c1ccc(Sc2cccc(c2)[C@@]2(CC3CC[C@H](C2)O3)C(N)=O)cc1
NC(=O)C1(CCOCC1)c1cccc(Sc2ccc(Cn3cccc3)cc2)c1
Cc1nccn1-c1ccc(Sc2cccc(c2)C2(CCOCC2)C(N)=O)cc1
Cc1nccn1-c1ccc(Sc2cccc(c2)C2(CN=O)CCOCC2)cc1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(S)s1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
CCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:12,t:17|
CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:11,t:16|
CCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:10,t:15|
CCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:14,t:19|
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:13,t:18|
CCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:12,t:17|
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
CCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:10,t:15|
CCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:8,t:13|
CCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:6,t:11|
CCCCC1=C(O)C(=O)C=C(O)C1=O |c:4,t:9|
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:13,t:18|
CCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:14,t:19|
CCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:15,t:20|
CCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:16,t:21|
[#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](-[#8])=[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O |t:2,7|
[#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](-[#8])=[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O |t:2,7|
CCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:4,t:10|
CCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:6,t:12|
CCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:8,t:14|
CCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:10,t:16|
CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:11,t:17|
CCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:12,t:18|
CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:13,t:19|
CCCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:14,t:20|
CCCCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:15,t:21|
CCCCCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:16,t:22|
[#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](-[#8]-[#6])=[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O |t:2,8|
[#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](-[#8]-[#6])=[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O |t:2,8|
CCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:4,10|
CCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:6,12|
CCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:8,14|
CCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:8,t:13|
CCCCCCC1=C(O)C(=O)C=C(OC)C1=O |c:6,t:11|
CCCCC1=C(O)C(=O)C=C(OC)C1=O |c:4,t:9|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8])-[#6](=O)-[#6]=[#6](-[#8])-[#6]-1=O |c:15,t:20|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8])-[#6](=O)-[#6]=[#6](-[#8])-[#6]-1=O |c:10,t:15|
CCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:16,t:21|
CCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:15,t:20|
[#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:23,t:2|
[#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:18,t:2|
CCCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:15,21|
CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:14,20|
CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
CCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:12,18|
CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16|
COc1cccc(c1)C(=O)N[C@H](CO)CCCCNC(=O)c1cccc(OC)c1O |r|
COc1cccc(C(=O)NCCCC[C@@H](CO)NC(=O)c2cccc(O)c2)c1O |r|
OC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1 |r|
O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1
CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1
O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1
OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F
CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F
O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
CCC(O)(c1nccs1)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1
OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F
OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccc(Cl)cc2)c1)(C(F)(F)F)C(F)(F)F
OC(c1cc(F)cc(Sc2ccc3oc(=O)cc(-c4ccc(F)cc4)c3c2)c1)(C(F)(F)F)C(F)(F)F
O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1
Clc1ccc(Cn2cc(CC(=O)N3CCOCC3)c3ccccc23)cc1Cl
Cc1[nH]c2ccc(Cl)cc2c1CCCC(=O)N1CCOCC1
O=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCNCC1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCc1c[nH]c2ccccc12
COc1ccc2[nH]c(C)c(CCCC(=O)N3CCOCC3)c2c1
O=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1
Cc1c(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2n1Cc1ccccc1
O=C(CCc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1
COC1(CCOCC1)c1cc(F)cc(OCCc2c[nH]c3ccccc23)c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCCC(=O)N3CCOCC3)c2c1
O=C(CCCc1c[nH]c2ccccc12)N1CCOCC1
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
COc1cc2c(cc1O)OC(=O)C=C2
COc1cc2oc(=O)ccc2cc1O
OC[C@@H]1[C@H](CO[C@@H]1c1ccc(O)c(O)c1)[C@H](O)c1ccc(O)c(O)c1
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
COc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)Nc1ccccn1 |w:14.16,9.9|
CC1C2CCC3(C)Cc4sc(NC(=O)NCc5ccccc5)nc4C(C)C3C2OC1=O |w:27.31,24.26,5.5,26.28,1.0,2.2|
COc1ccc(cc1)C(=O)Nc1nc2C(C)C3C4OC(=O)C(C)C4CCC3(C)Cc2s1 |w:16.16,23.25,14.15,26.29,17.18,21.22|
CC1C2CCC3(C)Cc4sc(NC(=O)c5ccc6OCOc6c5)nc4C(C)C3C2OC1=O |w:1.0,27.30,28.33,2.2,5.5,25.28|
CC1C2CCC3(C)Cc4sc(NC(=O)Nc5ccc(F)cc5F)nc4C(C)C3C2OC1=O |w:5.5,27.29,1.0,2.2,28.32,25.27|
COc1cc(cc(OC)c1OC)C(=O)Nc1nc2[C@@H](C)[C@@H]3[C@H]4OC(=O)[C@@H](C)[C@@H]4CC[C@@]3(C)Cc2s1
CSc1cccc(NC(=O)Nc2nc3C(C)C4C5OC(=O)C(C)C5CCC4(C)Cc3s2)c1 |w:26.28,16.27,21.21,23.24,17.17,14.14|
COc1ccccc1CC(=O)Nc1nc2C(C)C3C4OC(=O)C(C)C4CCC3(C)Cc2s1 |w:18.19,15.16,27.30,17.29,22.23,24.26|
CC1C2CCC3(C)Cc4sc(NC(=O)c5snnc5C)nc4C(C)C3C2OC1=O |w:25.29,22.24,5.5,24.26,1.0,2.2|
COc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)NC(C)(C)C |w:14.16,9.9|
COc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)NCc1ccco1 |w:14.16,9.9|
CC(C1CCc2c(C)cc(OCCN(C)C)c(C)c2C1)C(=O)Nc1nccs1 |w:1.0,2.20|
CCCOc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)NCc1cccs1 |w:16.18,11.11|
CCCOc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)Nc1nccs1 |w:16.18,11.11|
CC1C2CCC3(C)Cc4sc(NC(=O)C5CCCC5)nc4C(C)C3C2OC1=O |w:23.24,24.28,21.23,5.5,1.0,2.2|
COCCOc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)NC1CCCC1 |w:17.19,12.12|
CCCOc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)Nc1ccccn1 |w:16.18,11.11|
COc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)NCc1cccs1 |w:14.16,9.9|
CCCOc1cc(C)c2CCC(Cc2c1C)C(C)C(=O)Nc1ncc(C)s1 |w:16.18,11.11|
CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O
COc1ccccc1C(=O)N\N=C\c1cc(Cc2ccccc2Cl)ccc1O
CC(C)C(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:10,34|
CCCCCC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:12,36|
CC(C)CC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:11,35|
OC1=C(C(c2ccccc2)c2c(O)c(C(C3=C(O)c4ccccc4C3=O)c3ccccc3)c(O)c(C(=O)c3ccccc3)c2O)C(=O)c2ccccc12 |c:1,16|
CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
CCCCCC(=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:15,36|
CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,26|
CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:16,38|
CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |c:5,28|
CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CC(C)C)c1O |c:5,28|
CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:16,37|
CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4|
CCCCCC(=O)c1c(O)cc(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:18|
CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O |c:5|
CC(C)[C@H]1C2=C(Oc3c1c(O)cc(O)c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4|
CCCCCC(=O)c1c(O)cc(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:18|
CC(C)[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c2[C@@H](C(C)C)C3=C(Oc2c(C(=O)C(C)C)c1O)C(C)(C)C(=O)C(C)(C)C3=O |r,c:4,26|
CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:15,36|
CC(C)C1C2=C(Oc3c1c(O)c1C(C(C)C)C4=C(Oc1c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C4=O)C(C)(C)C(=O)C(C)(C)C2=O |c:4,17|
CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:4,23,41|
CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C)=O)c1O |c:4,23|
CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)C(C)C)c1O |c:4,23|
CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:15,33|
CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,23|
CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:16,35|
CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)C(C)C)c1O |c:4,25|
CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:15,35|
CC(C)CC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:14,34|
CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25|
CC(=O)Oc1c(C)c(C)c2OC(C)(CCc2c1C)C(=O)OCCCN=[N+]=[N-]
CC(=O)Oc1ccc(\C=C\C(=O)OCCc2cnnn2CCCOC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O
OCCCn1nncc1CCOC(=O)\C=C\c1ccc(F)c(F)c1
CC(=O)Oc1ccc(\C=C\C(=O)NCCc2cnnn2CCCO)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCc2cnnn2CCCO)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCc2cnnn2CCCO)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCc2cnnn2CCCO)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)CCCN=[N+]=[N-])cc1OC(C)=O
Fc1ccc(\C=C\C(=O)OCCC#C)cc1F
CC(=O)Oc1ccc(\C=C\C(=O)NCCC#C)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCC#C)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCC#C)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCCCC#C)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)OCCC#C)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(O)=O)cc1OC(C)=O
NS(=O)(=O)c1ccccc1C#Cc1ccc(=O)n(O)c1
NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(=O)n(O)c1
NS(=O)(=O)c1cccc(c1)C#Cc1ccc(=O)n(O)c1
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
N\C(=N/O)c1ccc(OCCCCC(=O)Nc2ccc3oc(Nc4ccccc4)nc3c2)cc1
COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
CCc1ccc(o1)-c1ccc(O)c(OC)c1
CCCCCCc1ccc(o1)-c1ccc(O)c(OC)c1
CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
CC(=O)Oc1ccc(\C=C\C(=O)NCCSc2nc(-c3ccc(cc3)S(N)(=O)=O)n(n2)-c2ccc(Br)cc2)cc1OC(C)=O
CC(=O)Oc1ccc(\C=C\C(=O)NCCCSc2nc(-c3ccc(cc3)S(N)(=O)=O)n(n2)-c2ccccc2)cc1OC(C)=O
CS(=O)(=O)c1ccc(cc1)-c1nc(SCCCNC(=O)\C=C\c2ccc(O)c(O)c2)nn1-c1ccc(F)cc1
COc1cc(\C=C\C(=O)OCCSc2nc(-c3ccc(cc3)S(C)(=O)=O)n(n2)-c2ccc(Br)cc2)ccc1OC(C)=O
COc1cc(\C=C\C(=O)OCCSc2nc(-c3ccc(cc3)S(C)(=O)=O)n(n2)-c2ccc(F)cc2)ccc1OC(C)=O
C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
Oc1ccc(\C=C\C(=O)OCCn2cc(COC(=O)\C=C\c3ccccc3)nn2)cc1O
Oc1ccc(\C=C\C(=O)OCc2cn(CC(Cn3cc(COC(=O)\C=C\c4ccc(O)c(O)c4)nn3)(Cn3cc(COC(=O)\C=C\c4ccc(O)c(O)c4)nn3)Cn3cc(COC(=O)\C=C\c4ccc(O)c(O)c4)nn3)nn2)cc1O
OCC(Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1)(Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1)Cn1cc(COC(=O)\C=C\c2ccc(O)c(O)c2)nn1
Oc1ccc(\C=C\C(=O)OCCn2cc(COC(=O)\C=C\c3ccc(O)c(O)c3)nn2)cc1O
CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2ccccc2Cl)n(CC)c2c1cc(OCC)c1ccccc21
CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OCC)c1ccccc21
CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(OC)c1ccccc21
CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OC)c1ccccc21
CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2cc(C)cc(C)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2c(C)cccc2C)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2cccc(Cl)c2Cl)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2ccccc2C)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(CSc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CN(O)C(=O)\C=C\c1ccc2Oc3ccccc3Nc2c1
COC(=O)c1cccc2Oc3ccccc3Nc12
COC(=O)c1ccc2Oc3ccccc3Nc2c1
CCOC(=O)\C=C\c1ccc2Oc3ccccc3Nc2c1
COc1ccc2Oc3ccccc3Nc2c1C(O)=O
OC(=O)c1ccc2Oc3ccccc3Nc2c1
OC(=O)c1cccc2Oc3ccccc3Nc12
N1c2ccccc2Oc2ccccc12
ONC(=O)c1ccc2Oc3ccccc3Nc2c1
OC(=O)\C=C\c1ccc2Oc3ccccc3Nc2c1
CN(O)C(=O)c1ccc2Oc3ccccc3Nc2c1
COc1ccc2Oc3ccccc3Nc2c1C(=O)NO
O=c1c2CCCc2[nH]n1CCOc1ccc2ccccc2c1
O=c1c2CCCCc2[nH]n1CCOc1ccc2ccccc2c1
Cc1cc(=O)n(CCOc2ccc3Oc4ccccc4Nc3c2)[nH]1
Cc1cc(=O)n(CCOc2ccc3Nc4ccccc4Sc3c2)[nH]1
Cc1cc(=O)n(CCOc2ccc3Sc4ccccc4Nc3c2)[nH]1
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc(S)o2)c1
FC1(C(=O)c2ccc(Br)cc2C1=O)c1ccccc1
COc1ccc(cc1)C2C(=O)c3ccccc3C2=O
Fc1ccc(cc1)C1C(=O)c2ccccc2C1=O
c1ccc(cc1)C2C(=O)c3ccccc3C2=O
CSc1ccc(cc1)C1C(=O)c2ccccc2C1=O
O=C1c2ccccc2C(=O)C1(Sc1ccccc1)c1ccccc1
O=C1C(C2C(=O)c3ccccc3C2=O)C(=O)c2ccccc12
FC1(C(=O)c2ccccc2C1=O)c1ccc2ccccc2c1
Clc1ccc(cc1)C1C(=O)c2ccccc2C1=O
O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2c1
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C1C(=O)c2ccccc2C1=O
CCCCc1ccc(cc1)C1C(=O)c2ccccc2C1=O
O=C1CCCCC(=O)C1c1ccccc1
O=C1CCCCC(=O)C1c1ccc2OCOc2c1
CN(C)c1ccc(cc1)C1C(=O)c2ccccc2C1=O
CCCCc1ccc(cc1)C1C(=O)CCCCCC1=O
FC1(C(=O)c2ccccc2C1=O)c1ccccc1
CSC1(C(=O)c2ccccc2C1=O)c1ccccc1
COc1cccc(c1)N1CCCC(=O)N1
Fc1cccc(c1)N1CCCC(=O)N1
Cc1cccc(c1)N1CCCC(=O)N1
Brc1cccc(c1)N1CCCC(=O)N1
Clc1ccccc1N1CCC(=O)N1
FC(F)(F)c1cccc(c1)N1CCCC(=O)N1
OCc1cccc(c1)N1CCCC(=O)N1
CCc1cccc(c1)N1CCCC(=O)N1
CC(=O)c1cccc(c1)N1CCCC(=O)N1
CCCCCCCCN1CCCC(=O)N1
CCCCCCCCCCCCN1CCCC(=O)N1
CCc1ccccc1N1CCCC(=O)N1
Clc1ccc(cc1)N1CCC(=O)N1
Clc1ccc(cc1)N1CCCC(=O)N1
O=C1CCCN(N1)c1cccc(c1)C#N
CC(C)(C)C(=O)c1cccc(c1)N1CCCC(=O)N1
Cc1ccc(cc1)N1CCCC(=O)N1
CCc1ccc(cc1)N1CCCC(=O)N1
COc1ccc(cc1)N1CCCC(=O)N1
Cc1cccc(c1)N1CCC(=O)N1
CCCC(=O)NNc1ccccc1
COc1ccccc1N1CCCC(=O)N1
Clc1ccccc1N1CCCC(=O)N1
Clc1cccc(c1)N1CCCC(=O)N1
Clc1cccc(c1)N1CCC(=O)N1
Cc1ccc(cc1)N1CCC(=O)N1
CCOC(=O)c1cccc(c1)N1CCCC(=O)N1
Cc1ccccc1N1CCCC(=O)N1
CC(=O)NNc1ccccc1
Cc1ccccc1N1CCC(=O)N1
CNC(=S)N(O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(N)=O)c2c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(C)=O)c2c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)N(O)C(N)=O)c2c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C(C)N(O)C(C)=O)c2c1
CNC(=S)N(O)C(C)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)c(CC=C)c12
Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12
Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(S)=NC2=O)c1Cl |w:14.14,c:19|
Cc1ccc(Cl)c(Nc2ccccc2\C=C2/SC(=S)N(CC(O)=O)C2=O)c1Cl
Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(NC#N)=NC2=O)c1Cl |w:14.14,c:21|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C=C3SC(S)=NC3=O)c2c1 |w:19.19,c:24|
C\C(=C\N(O)Cc1ccccc1)C(=O)c1ccc(F)cc1
O=C1OCc2c1cc1cc3OCOc3cc1c2-c1ccc2OCOc2c1
COc1ccc(cc1OC)-c1c2COC(=O)c2cc2cc3OCOc3cc12
COc1ccc2c(c3COC(=O)c3cc2c1)-c1ccccc1
O=C1OCc2c1cc1cc(OCc3ccc4ccccc4n3)ccc1c2-c1ccccc1
O=C1OC(=O)c2c1cc1cc3OCOc3cc1c2-c1ccc2OCOc2c1
O=C1OCc2c1cc1cc(OCc3ccc(cn3)-c3ccccc3)ccc1c2-c1ccccc1
O=C1OCc2c1cc1ccccc1c2-c1ccccc1
C1Oc2ccc(cc2O1)C1c2cocc2Cc2cc3OCOc3cc12
COc1cccc(c1)-c1c2COC(=O)c2cc2ccccc12
O=C1OCc2c1cc1ccncc1c2-c1ccccc1
COc1cc2cc3C(=O)OCc3c(-c3ccc4OCOc4c3)c2cc1OC
O=C1OCc2c1cc1ccccc1c2-c1ccc2OCOc2c1
O=C1OCc2cc3cc4OCOc4cc3c(c12)-c1ccc2OCOc2c1
O=C1OCc2c1cc1ccccc1c2-c1ccncc1
COc1ccc(cc1)-c1c2COC(=O)c2cc2ccccc12
C1Oc2ccc(cc2O1)-c1c2COCc2cc2cc3OCOc3cc12
OCc1cc2cc3OCOc3cc2c(c1CO)-c1ccc2OCOc2c1
Cc1cc2cc3OCOc3cc2c(c1C)-c1ccc2OCOc2c1
O=C1OCc2c1cc1sccc1c2-c1ccccc1
COc1ccc2cc3C(=O)OCc3c(-c3ccccc3)c2c1
O=C1OCc2c1cc1cc3OCOc3cc1c2-c1ccccc1
O=C1NCc2c1cc1cc3OCOc3cc1c2-c1ccc2OCOc2c1
NC(=O)N(O)[C@H]1C[C@@H](C1)c1cc2ccccc2s1 |wU:7.9,wD:5.4,(13.91,-8.94,;12.58,-8.17,;12.58,-6.63,;11.25,-8.94,;11.25,-10.48,;10.17,-7.85,;10.18,-6.31,;8.64,-6.31,;8.63,-7.85,;7.31,-5.54,;6.39,-4.29,;4.93,-4.78,;3.59,-4.01,;2.26,-4.78,;2.26,-6.33,;3.59,-7.1,;4.93,-6.32,;6.4,-6.79,)|
CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
NC(=O)N(O)[C@H]1C[C@H](C1)c1cccc(Oc2ccc(F)cc2)c1 |wU:5.4,7.9,(14.94,-12.7,;13.61,-11.93,;13.61,-10.39,;12.28,-12.7,;12.28,-14.24,;11.21,-11.62,;9.67,-11.6,;9.67,-10.06,;11.21,-10.08,;8.34,-9.29,;8.34,-7.75,;7,-7,;5.68,-7.75,;5.68,-9.29,;4.35,-10.06,;3.01,-9.29,;3.01,-7.75,;1.66,-6.98,;.33,-7.75,;-1,-6.98,;.33,-9.29,;1.66,-10.06,;7.01,-10.06,)|
CC(C)(C)c1cc(Sc2nnc(S)o2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(Sc2n[nH]c(=O)o2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(Sc2nnc(NC#N)s2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(Sc2nnc(S)s2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(C=Cc2nnc(S)s2)cc(c1O)C(C)(C)C |w:7.6|
Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C
OC(=O)c1ccc(OCCCCCCc2cccc(O)c2O)cc1
CCCc1c(O)c(ccc1OCCCCCCCCCCc1cccc(O)c1O)C(O)=O
CCCc1c(O)c(ccc1OCCCCCc1cccc(O)c1O)C(O)=O
CCCc1c(O)c(ccc1OCCCCCCc1cccc(O)c1O)C(O)=O
CCCc1c(O)c(ccc1OCCCCc1cccc(O)c1O)C(O)=O
OC(=O)c1ccc(OCCCCCCc2cccc(O)c2O)cc1O
CCCc1c(O)c(ccc1OCCCCCCCCc1cccc(O)c1O)C(O)=O
CCCc1c(O)c(ccc1OCCCc1cccc(O)c1O)C(O)=O
CCCc1cc(ccc1OCCCCCCc1cccc(O)c1O)C(O)=O
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
CCCc1c(O)c(ccc1OCCc1cccc(O)c1O)C(O)=O
CCCc1c(O)c(ccc1OCCCCCCCc1cccc(O)c1O)C(O)=O
Cc1c(-c2ccc(O)c(O)c2)n2CC(CCN3CCN(CC3)c3cc(C)ccn3)Oc3cccc1c23
Cc1c(-c2cc(C)c(O)c(C)c2)n2CC(CCN3CCN(CC3)c3cc(C)ccn3)Oc3cc(O)cc1c23
Cc1c(-c2ccc(O)cc2)n2CC(CCN3CCN(CC3)c3ncccc3C)Oc3cccc1c23
Cc1c(-c2ccc(O)cc2)n2CC(CCN3CCN(CC3)c3cccc(C)n3)Oc3cccc1c23
COc1ccc2[nH]c(c(C)c2c1)-c1cc(C)c(O)c(C)c1
COc1cc(ccc1O)-c1c(C)c2cccc3OC(CCN4CCN(CC4)c4cc(C)ccn4)Cn1c23
Cc1c(-c2ccc(O)cc2)n2CC(CCN3CCN(CC3)c3ccc(C)cn3)Oc3cccc1c23
COc1cc2OC(CCN3CCN(CC3)c3cc(C)ccn3)Cn3c(c(C)c(c1)c23)-c1cc(C)c(O)c(C)c1
Cc1c(-c2ccc(O)cc2)n2CC(CCN3CCN(CC3)c3cc(C)ccn3)Oc3cccc1c23
Cc1c(-c2ccc(O)cc2)n2CC(CCN3CCN(CC3)c3ccccn3)Oc3cccc1c23
Cc1c(-c2cc(C)c(O)c(C)c2)n2CC(CCN3CCN(CC3)c3cc(C)ccn3)Oc3cccc1c23
COc1cc(\C=C\C=C\c2nc3cc(CO)ccc3o2)ccc1O
CCOC(=O)/C=C/c1ccc(c(c1)O)O
CCOC(=O)c1ccc2nc(\C=C\C=C\c3ccc(O)c(OC)c3)oc2c1
Oc1ccc(\C=C\C=C\c2nc3ccccc3o2)cc1O
CCOC(=O)c1ccc2oc(\C=C\C=C\c3ccc(O)c(O)c3)nc2c1
COc1cc(\C=C\C=C\c2nc3cc(Cl)ccc3o2)ccc1O
COc1cc(\C=C\C=C\c2nc3ncccc3o2)ccc1O
COc1cc(\C=C\C=C\C(=O)NCCN2CCC(CC2)OC(c2ccccc2)c2ccccc2)ccc1O
CCOC(=O)c1ccc2oc(\C=C\C=C\c3ccc(O)c(OC)c3)nc2c1
COc1cc(\C=C\C=C\c2nc3cc(C)ccc3o2)ccc1O
COc1cc(\C=C\C=C\c2nc3cc(ccc3o2)C(O)=O)ccc1O
COc1cc(\C=C\C=C\c2nc3ccccc3o2)ccc1O
COc1cc(\C=C\C=C\c2nc3c(ccc4ccccc34)o2)ccc1O
COc1cc(\C=C\C=C\c2nc3ccc(CO)cc3o2)ccc1O
CCOC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1ccccc1-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN(C)CCCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1)=NC#N |w:27.31|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1cnccc1-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2ccccc12
CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC1(C)NC(=NO1)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |c:4|
CN(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
[O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN(Cc1ccccc1)Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CC(N(O)C(N)=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1cc(cc(C)c1O)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
ONC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2nc3ccccc3s2)cc1
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccccn2)cc1
Cc1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccccc2C)cc1O
Cc1ccccc1COc1ccc(cc1)-c1onc(C(O)=O)c1-c1ccc(Cl)cc1
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2cccc(F)c2)cc1
Cc1ccc(COc2ccc(cc2)-c2onc(C(O)=O)c2-c2ccc(Cl)cc2)cc1
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2cccc(c2)C#N)cc1
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccccc2Cl)cc1
OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccccc2C(F)(F)F)cc1
CCCNC(=O)N(O)c1cc(cc(OCCC)c1OCCC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1cc(cc(N(CC)C(=O)N(C)O)c1OCCC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(O)C(C)C)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(O)C2CCCCC2)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(C)O)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1cc(cc(N(CC)C(=O)N(O)CC)c1OCCC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCOc1c(NC(=O)N(O)C(C)(C)C)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1
CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#8])[C@]([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |r,c:6,t:14|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
COc1cc2OC(C)(C)C=Cc2c(O)c1C(=O)\C=C\c1ccc(O)cc1 |c:9|
[#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6]-1=O |c:5|
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]2-[#8]-[#6@H](-[#6][C@@]2([#8])[#6]-1=O)C([#6])([#6])[#8] |r,c:6,t:14|
COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
CCCc1ccc(O)c(c1)-c1ccc(O)c(CCC)c1
CCCc1ccc(O)c(c1)-c1ccc(OC)c(CCC)c1
COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OC(C)=O
CC(=O)Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OC(C)=O
COc1ccc(cc1\C=C\C)-c1cc(CC=C)ccc1O
COc1ccc(cc1\C=C/C)-c1cc(CC=C)ccc1O
C\C=C\c1cc(ccc1O)-c1cc(CC=C)ccc1O
Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OC
COc1cc(ccc1O)-c1cc2ccccc2c(=O)o1
Oc1ccc(cc1O)-c1cc2ccccc2c(=O)o1
COc1cc(cc(OC)c1OC)-c1cc2ccccc2c(=O)o1
COc1cc(cc(OC)c1OC)-c1cc2cccc(O)c2c(=O)o1
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:13|
[O-][N+](=O)c1ccc2c(c1)S(=NS2(=O)=O)c1ccc(Br)cc1 |c:10|
COc1cc2CC(C)(Cc3cc(OC)c(O)c(O)c3-c2c(O)c1O)C(C)O
COc1cc2CC(C)(Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC)C(C)I
C(Oc1ccc2ccccc2c1)c1ccccc1
CN(C)CCNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8])cc1
[#6]-[#8]-c1cccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc2-[#8])c1-[#8]-[#6]
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8])c(-[#8]-[#6])c1-[#8]-[#6]
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc2-[#8])cc1-[#8]-[#6]
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8])cc(-[#8]-[#6])c1-[#8]-[#6]
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1
[#6]-[#8]-c1cccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6])c1-[#8]-[#6]
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]-[#6]
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc(-[#8]-[#6])c1-[#8]-[#6]
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccs1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccsc1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1
O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccccc1
Fc1cccc(c1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc(cc1F)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
FC(F)(F)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc(Cl)cc1
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(csc3c2)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(CO)sc3c2)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)(C)O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)=O)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)N(C)C)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)NC)-c2ccccc2)nn1)C(F)(F)F
CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F |r|
CC1=C(C(=S)C=CO1)O
c1cc(c(cc1O)C(=O)O)O
Cc1cccc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)c1C
CCCCNc1cc(Cl)nc(SC(C(O)=O)c2cccc3ccccc23)n1
CC(C)CCNc1cc(Cl)nc(SC(C(O)=O)c2cccc3ccccc23)n1
OC(=O)C(Sc1nc(Cl)cc(Nc2cccc(Cl)c2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(F)cc2)n1)c1cccc2ccccc12
Cc1ccc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)cc1C
CC(C)c1ccc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)cc1
CC(C)(C)c1cc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)cc(c1)C(C)(C)C
OC(=O)C(Sc1nc(Cl)cc(NCCc2ccccc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(NCCCc2ccccc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ccccc3c2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc3CCCc3c2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2cccc(c2)-c2ccccc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(cc2)C2CCCCC2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)c1cccc2ccccc12
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc-3c(Cc4ccccc-34)c2)n1)c1cccc2ccccc12
Oc1cccc(c1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1
OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12
Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1
Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccc(N)cc1
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1
O=Cc1ccc(cc1)-c1c(Cc2ccccc2)nnn1CSc1ccccc1
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2)c(c1)[N+]([O-])=O
FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1
O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1
C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1cc2ccccc2c2ccccc12
Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1
C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12
Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F
Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12
C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccc(Oc2ccccc2)cc1
CN(O)C(=O)C(=C\c1ccc2ccccc2c1)\c1ccccc1
C\C(=C/c1ccc2ccccc2c1)C(=O)NO
ONC(=O)c1ccc2cc3ccccc3cc2c1
CN(O)C(=O)C(=C\c1ccc2ccccc2c1)\c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)Nc2ccccc2C(O)=O)cc1
OC(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C=C1c1ccccc1 |c:29|
Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
CC1(C)CC(=O)C2=C(C1)N(CCC(O)=O)C1=C(C2c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)CC(C)(C)C1 |c:6,16|
CCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O
COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1
Cc1cc(Oc2ccc(Cl)cc2NC(=O)Nc2cccc(c2)C(F)(F)F)cc(c1Cl)S(O)(=O)=O
CCCCCCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1
OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(C(O)=O)c2cc(Cl)ccc2n1
CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)OCC
CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC
CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(=O)OCC
CCCCC(Sc1ccc(OCCCOc2ccc(Cl)cc2OC)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2cccc(OC)c2)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccccc2OC)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccc(C)cc2)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2cccc(C)c2)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccccc2C)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccccc2)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O
CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r|
CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r|
CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
CCCC\C(=C/c1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
CCCCC(Cc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Cc1cccc(OCCCOc2ccc(CCC(O)=O)cc2)c1C
Cc1cccc(OCCCOc2ccc(SCC(O)=O)cc2)c1C
O=c1n([nH]c2ccccc12)-c1ccccc1
Cn1[nH]c(=O)c2ccccc12
Cc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
O=c1n(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
C[C@H](c1cccc2ccccc12)n1[nH]c2ccccc2c1=O
Cc1ccncc1Cn1[nH]c2ccccc2c1=O
O=c1n(Cc2ccc3ccccc3c2)[nH]c2ccccc12
O=c1n(CCCc2ccccc2)[nH]c2ccccc12
O=c1n(Cc2ccccc2)[nH]c2ccccc12
O=c1[nH]n(Cc2ccccc2)c2ccccc12
Cn1n(Cc2ccccc2)c(=O)c2ccccc12
O=c1n(Cc2cccnc2)[nH]c2ccccc12
O=c1n(Cc2ccccn2)[nH]c2ccccc12
Clc1ncccc1Cn1[nH]c2ccccc2c1=O
O=c1n(Cc2cncs2)[nH]c2ccccc12
Cn1[nH]c2ccccc2c1=O
O=c1n(CCCCc2ccccc2)[nH]c2ccccc12
Brc1cncc(Cn2[nH]c3ccccc3c2=O)c1
O=c1n(Cc2cccs2)[nH]c2ccccc12
O=c1n(Cc2ccco2)[nH]c2ccccc12
O=c1n(CCc2ccccc2)[nH]c2ccccc12
O=c1[nH][nH]c2ccccc12
Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
O=c1n(Cc2ccncc2)[nH]c2ccccc12
COc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Cc1ncccc1Cn1[nH]c2ccccc2c1=O
O=c1n(Cc2cccc3ccccc23)[nH]c2ccccc12
Cc1cncc(Cn2[nH]c3ccccc3c2=O)c1
CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r|
Oc1c(Cl)cc(Cl)c2cccnc12
CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
CCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc(Cl)nn1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccc(Cl)nn2)cc1
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc(Cl)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(F)cc3)n(n2)-c2ccc(Cl)cc2)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccc(Cl)cc2)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(F)cc3)n(n2)-c2ccccc2)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccccc2)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(F)cc3)n(n2)-c2ccc3ccccc3n2)cc1
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc2cc(-c3ccc(cc3)C(F)(F)F)n(n2)-c2ccc3ccccc3n2)cc1
COc1ccc(nn1)-n1nc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)cc1-c1ccc(C)cc1
COc1ccc(nn1)-n1nc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)cc1-c1ccc(F)cc1
COc1ccc(nn1)-n1nc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)cc1-c1ccc(cc1)C(F)(F)F
CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
COC1=CC(=O)C(OC)=C(C(O)CCCCCCCCCO)C1=O |t:2,8|
COC1=CC(=O)C(OC)=C(CCCCCCCCCCCO)C1=O |t:2,8|
COC1=CC(=O)C(OC)=C(CCCCCCCCCCO)C1=O |t:2,8|
COC1=CC(=O)C(=O)C(CCCCCCCCCCO)=C1OC |c:19,t:2|
COC1=CC(=O)C(=O)C(CCCCCCCCO)=C1OC |c:17,t:2|
CCCCCCCCCCCCCc1c(O)c(OC)cc(O)c1OC
CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
COC1=CC(=O)C(OC)=C(C(CCCCCCCCCO)OC(C)=O)C1=O |t:2,8|
COC1=CC(=O)C(OC)=C(CCCCCCCCO)C1=O |t:2,8|
COC1=CC(=O)C(=O)C(CCCCCCCCCCCO)=C1OC |c:20,t:2|
CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1O
Cc1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:11|
NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:14|
NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(cc1)-c1ccccc1 |c:14|
NS(=O)(=O)c1cc2c(cc1Cl)S(=NS2(=O)=O)c1ccc(Br)cc1 |c:12|
CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:14|
COC(=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:14|
CCc1ccc(cc1)S1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |t:9|
CC(C)c1ccc(cc1)S1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |t:10|
CC(C)(C)c1ccc(cc1)S1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |t:11|
COc1ccc(cc1)S1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |t:9|
COc1ccc(cc1OC)S1=NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |t:11|
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(cc1)-c1ccccc1 |c:13|
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(cc1)C(F)(F)F |c:13|
COc1cc(OC)cc(OCC=S2NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |w:11.10|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8]
CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
CCCC(O)C#CCOCc1ccccc1
OC(C#CCOCc1ccccc1)c1ccccc1
CCCCCC(O)C#CCOCc1ccc(SC)cc1
COc1ccc(cc1)C(O)C#CCOCc1ccc(SC)cc1
COc1cccc(C(O)C#CCOCc2ccc(SC)cc2)c1OC
COc1ccc(C(O)C#CCOCc2ccc(SC)cc2)c(OC)c1OC
COc1ccc(cc1OC)C(O)C#CCOCc1ccc(SC)cc1
COc1cc(cc(OC)c1OC)C(O)C#CCOCc1ccc(SC)cc1
CSc1ccc(COCC#CC(O)c2ccc(cc2)C#N)cc1
CSc1ccc(COCC#CC(O)c2cccc(c2)[N+]([O-])=O)cc1
CSc1ccc(COCC#CC(O)c2ccc(F)cc2)cc1
CSc1ccc(COCC#CC(O)c2ccc(cc2)C(C)C)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCc2ccccc2)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(Oc2ccccc2)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(OCc2ccccc2)c1
Cc1ccc(cc1)-c1nc2cc(C)ccn2c1NC1CCCC1
CN(C)c1ccc(cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Clc1ccc(cc1)-c1nc2cnccn2c1NC1CCCCC1
Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccc(F)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)[N+]([O-])=O
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccncc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1O
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1nc2ccc(Br)cn2c1NC1CCCCC1
COc1ccc(cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
O=C(Nc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1)c1cccs1
CCOc1ccc2[nH]c(=O)c(cc2c1)-c1nc2ccc(C)cn2c1NC1CCCCC1
CN(C)c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Brc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccc(cc1)N1CCOCC1
Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCCCC1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc(cc1)N1CCOCC1
C1CCC(CC1)Nc1c(nc2cccnn12)-c1ccc(cc1)N1CCOCC1
C1CCC(CC1)Nc1c(nc2cnccn12)-c1ccc(cc1)N1CCOCC1
C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc(cc1)N1CCOCC1
Clc1ccc2nc(-c3ccc(cc3)N3CCOCC3)n(CC3CCCCC3)c2c1
CN(C)c1ccc(cc1)-c1nc2ccc(Cl)cc2n1CC1CCCCC1
COc1cccc(c1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1ccc(cc1OC)-c1nc2ccc(C)cn2c1NC1CCCCC1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(Oc2ccccc2)c1
CC(C)c1ccc2c(CCC3[C@](C)(CN(CCC(NC(C)=O)c4ccc(F)cc4)C(C)=O)CCC[C@]23C)c1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
CC(C)c1ccc2c(CC[C@H]3C(C)(CN)CCC[C@]23C)c1 |r|
CC(N)CCCNC[C@]1(C)CCC[C@@]2(C)C1CCc1cc(ccc21)C(C)C |r|
CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl
CC(C)c1ccc2c(CCC3[C@](C)(CNCc4ccccc4C(O)=O)CCC[C@]23C)c1 |r|
CC(C)(C)c1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
NCC(CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1
Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
NCC(CCCSc1ccc2ccccc2c1)c1ccc(F)cc1
Cc1ccc(SCCCCCC(CN)c2ccc(F)cc2)cc1
Clc1ccc(cc1Cl)C(=O)\C=C\c1ccco1
Cc1coc(C)c1C(=O)C=Cc1cc2ccccc2nc1Cl |w:10.11|
Fc1ccc(cc1)C(=O)\C=C\c1cc2ccccc2nc1Cl
COc1cccc(\C=C\C(=O)c2ccc(Br)cc2)c1OC
Cc1cc(OCCCCCCCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Cc1cc(OCCCCCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Cc1cc(OCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Cc1cc(OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Cc1cc(OCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Cc1cc(OCCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Cc1cc(OCCCCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c(C)c(C)c1O
Clc1ccc(s1)C(=O)\C=C\c1ccco1
O=C(\C=C\c1ccsc1)c1cccnc1
O=C(\C=C\c1ccoc1)c1ccccn1
O=C(\C=C\c1cccs1)c1ccccc1
O=C(\C=C\c1ccccc1)c1ccccc1
O=C(\C=C\c1ccco1)c1cccnc1
Cc1ccsc1\C=C\C(=O)c1ccccn1
O=C(\C=C\c1ccco1)c1ccccn1
O=C(\C=C\c1ccsc1)c1ccccn1
O=C(\C=C\c1ccccc1)c1ccccn1
O=C(\C=C\c1cccs1)c1cccs1
O=C(\C=C\c1ccsc1)c1cccs1
O=C(\C=C\c1ccco1)c1ccco1
O=C(\C=C\c1cccs1)c1ccccn1
O=C(\C=C\c1ccoc1)c1cccnc1
O=C(\C=C\c1ccccn1)c1ccco1
O=C(\C=C\c1ccco1)c1cccs1
Oc1cccc2[nH]c(Cc3ccccc3)nc12
CN(C)c1ccc(cc1)-c1nc2c(O)ccc(C)c2[nH]1
Cc1ccc(O)c2nc(Cc3ccc(Cl)cc3)[nH]c12
Cc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
COc1cc(Cc2nc3c(O)ccc(C)c3[nH]2)cc(OC)c1OC
Cc1ccc(O)c2nc(CCc3ccccc3)[nH]c12
Cc1cc(c(O)c2[nH]c(Cc3ccccc3)nc12)C(C)(C)C
Cc1ccc(O)c2nc(Cc3cccc4ccccc34)[nH]c12
Cc1ccc(O)c2nc([nH]c12)C(F)(F)F
Cc1ccc(O)c2nc(Cc3cccnc3)[nH]c12
COc1ccc(cc1)-c1nc2c(O)ccc(C)c2[nH]1
Cc1ccc(O)c2nc([nH]c12)-c1ccccc1
Cc1ccc(O)c2nc([nH]c12)-c1ccco1
COc1ccc(Cc2nc3c(O)cccc3[nH]2)cc1
CCOc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
COc1cccc(Cc2nc3c(O)ccc(C)c3[nH]2)c1
COc1ccccc1Cc1nc2c(O)ccc(C)c2[nH]1
COc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
COc1ccc(Cc2nc3c(C)cc(c(O)c3[nH]2)C(C)(C)C)cc1
Cc1ccc(O)c2nc(Cc3ccccc3)[nH]c12
Cc1ccc(O)c2nc(Cc3ccc(O)cc3)[nH]c12
COc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1OC
Cc1ccc(O)c2nc(Cc3cccs3)[nH]c12
CCCCC[C@H](OC)\C=C/C=C\C\C=C/CCCCC(O)=O |r|
CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/C1CCCC(=O)O1
CCCCCC(O)C#CC#CCCCCCCCCCC(O)=O
CCCCCC(O)\C=C/C=C/CCCCCCCCCC(O)=O
CCCCCC(=O)C=CC=CCCCCCCCCCC(O)=O |w:9.8,7.6|
[H][C@@](CCCCC)(OC(C)=O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O |r|
CCCCCC(OC(C)=O)\C=C\C=C/CCCCCCCCCC(O)=O
OC(CC1CCCC1)\C=C\C#CCCCCCCCCCC(O)=O
CCCCC[C@H](O)\C=C\C=C/C\C=C\CCCCC(O)=O |r|
[H][C@](O)(CCCCC)\C=C\C=C/CCCCCCCCCC(O)=O |r|
CCCCC\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O
CCCCCC(O)\C=C\C#CCCCCCCCCC(O)=O
CCCCCC(O)\C=C\C=C/CCCCCCCCCC(O)=O
CCCC(O)\C=C\C#CCCCCCCCCCC(O)=O
CCCCC[C@H](O)\C=C/C=C\C\C=C/CCCCCCC(O)=O |r|
CCCCCC(O)\C=C\C#CCCCCCCCCCC(O)=O
OC(CC1CCCC1)\C=C\C=C\CCCCCCCCCC(O)=O
CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C1CCCC(=O)O1
[H][C@@](CCCCC)(OC(C)=O)\C=C\C=C/C\C=C/C\C=C/CCCC(=O)OC |r|
CCCC(O)\C=C\C=C\CCCCCCCCCC(O)=O
[H][C@](O)(CCCCC)\C=C\C=C/C\C=C/C\C=C/CCCC(=O)OC |r|
CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/C(O)CCCC(O)=O
CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCCCC(O)=O |r|
CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC |r|
CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O
CCCCCCC(O)\C=C\C#CCCCCCCCCCC(O)=O
Nc1ccc(cc1)C(=O)NO
CCCCC\C=C/CCOc1ccc2cc(ccc2c1)C(=O)NO
CCCCCC\C=C\C=C/C\C=C/C\C=C/CCCNO
CCCCCCCCOc1ccc2cc(ccc2c1)C(=O)NO
CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NO
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCO)CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCO)CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C1CCCC(=O)N1
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)NO
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCS)CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CS)CCCC(O)=O
CCCCCC(=O)CC\C=C/C\C=C/C=C/CCCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)C(=O)NO
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)CC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NO
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)CC(=O)NO
CCCCC\C=C/C\C=C/CC=CC=CC(CCCC(O)=O)=NNC(N)=O |w:22.22,13.12,11.10|
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)CCC(=O)NO
CCCCC\C=C/C\C=C/C\C=C/C=C/C1CC(CC(O)=O)CC(=O)C1
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCS)CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCC(O)=O)OC(C)=O
CCCCC\C=C/C\C=C/CC=CC=CC(CCCC(O)=O)=NNC(N)=S |w:22.22,13.12,11.10|
CCCCC\C=C/C\C=C/C\C=C/C=C/C(N)CCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/C=C/C(S)CCCC(O)=O
CCCCC\C=C/C\C=C/CC=CC=CC(CCCC(O)=O)N=O |w:13.12,11.10|
CCCCC\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(=O)NO
CCCCC\C=C/C\C=C/CC=CC=CC(=O)CCCC(O)=O |w:13.12,11.10|
CCC(O)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F
CC[C@H](NC(=O)CC)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F |r|
CCC(OC(=O)CC)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|
Oc1c(cnc2c(cccc12)C(F)(F)F)C(=O)Nc1nccs1
Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Oc1c(C(=O)Nc2nccs2)c(nc2c(cccc12)C(F)(F)F)C(Cl)Cl
CC[C@H](N)c1nc2c(cccc2c(O)c1C(=O)Nc1nccs1)C(F)(F)F |r|
CC(=O)Oc1c(Cc2ccccc2)ccc2ccccc12
Oc1c(Cc2cccc(Br)c2)ccc2ccccc12
Oc1c(Cc2ccc(Br)cc2)ccc2ccccc12
OC(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
CCOC(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
Oc1ccc2ccccc2c1Cc1ccccc1
Oc1c(CC=C)ccc2ccccc12
Oc1c(\C=C/c2ccccc2)ccc2ccccc12
Oc1c(Cc2cccc(Oc3ccccc3)c2)ccc2ccccc12
Cc1cc(C)c2ccc(Cc3ccccc3)c(O)c2c1
OC(c1ccccc1)c1ccc2ccccc2c1
Cc1cc(Cc2ccccc2)c(O)c2ccccc12
Oc1c(Cc2ccc(cc2)[N+]([O-])=O)ccc2ccccc12
CCOc1ccccc1Cc1ccc2ccccc2c1O
CC(C)(C)c1ccc2ccccc2c1O
O=C1C=C(Cc2ccccc2)C(=O)c2ccccc12 |t:2|
CCOC(=O)c1ccc2ccccc2c1O
Oc1c(Cc2ccccn2)ccc2ccccc12
Oc1c(Cc2ccccc2)cc([N+]([O-])=O)c2ccccc12
Oc1c(Cc2ccccc2)cccc1Cc1ccccc1
Oc1c(Cc2cccnc2)ccc2ccccc12
c1ccc2c(c1)cccc2O
Oc1ccc(Cc2ccccc2)c2ccccc12
Oc1c(Cc2ccncc2)ccc2ccccc12
COc1ccc(Cc2ccc3ccccc3c2O)cc1
Oc1c(Cc2ccc(Cl)c(Cl)c2)ccc2ccccc12
COc1cc(Cc2ccccc2)c(O)c2ccccc12
Cc1ccc(C)c2c(O)c(Cc3ccccc3)ccc12
COc1cccc2c(O)c(Cc3ccccc3)ccc12
Oc1c(Cc2ccc3OCOc3c2)ccc2ccccc12
CCOC(=O)\C=C\c1ccc2ccccc2c1O
CC(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
Oc1c(Cc2ccccc2)cc(-c2ccccc2)c2ccccc12
COc1ccc2ccc(Cc3ccccc3)c(O)c2c1
COc1ccc2c(O)c(Cc3ccccc3)ccc2c1
COc1cc2ccc(Cc3ccccc3)c(O)c2cc1OC
COc1ccc(Cc2ccc3ccccc3c2O)cc1OC
Cc1ccccc1Cc1ccc2ccccc2c1O
OCCOc1c(Cc2ccccc2)ccc2ccccc12
Oc1c(Cc2ccc3ccccc3c2)ccc2ccccc12
CCOC(=O)CCc1ccc2ccccc2c1O
Oc1c(Cc2ccccc2)cc(Br)c2ccccc12
CC(c1ccccc1)c1ccc2ccccc2c1O
Oc1c(Cc2ccc(F)cc2)ccc2ccccc12
Oc1c(Cc2ccc(Cl)cc2)ccc2ccccc12
Oc1c(Cc2cccc(Cl)c2)ccc2ccccc12
Oc1c(CCc2ccccc2)ccc2ccccc12
OC(=O)CCCCc1ccc2ccccc2c1O
Oc1c(Cc2ccc(OCc3ccccc3)cc2)ccc2ccccc12
COc1cccc(Cc2ccc3ccccc3c2O)c1
Cn1cccc1Cc1ccc2ccccc2c1O
Oc1c(Cc2cccc(c2)C(F)(F)F)ccc2ccccc12
Cc1ccc(Cc2ccc3ccccc3c2O)cc1
NS(=O)(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
COc1c(Cc2ccccc2)ccc2ccccc12
Oc1cc2ccccc2cc1Cc1ccccc1
Oc1c(Cc2ccco2)ccc2ccccc12
Cc1ccc2ccccc2c1O
CCOc1ccc(Cc2ccc3ccccc3c2O)cc1
Oc1c(Cc2cccs2)ccc2ccccc12
CS(=O)(=O)c1ccc(Cc2ccc3ccccc3c2O)cc1
Oc1c(Cc2ccccc2)cc(C(=O)c2ccccc2)c2ccccc12
Oc1cc(Cc2ccccc2)cc2ccccc12
Oc1c(ccc2ccccc12)C(=O)c1ccccc1
Cn1ccnc1Cc1ccc2ccccc2c1O
CCOC(=O)CCCC(N=O)c1ccc2ccccc2c1O
Nc1c(Cc2ccccc2)ccc2ccccc12
CCOC(=O)CCCCc1ccc2ccccc2c1O
CSc1ccc(Cc2ccc3ccccc3c2O)cc1
CS(=O)(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
Oc1ccccc1Cc1ccccc1
CN(C)c1ccc(Cc2ccc3ccccc3c2O)cc1
CSCCNC(=O)C1C(=O)N2c3c1cccc3CCc1ccccc21
Fc1ccc2N3C(=O)C(C(=O)Nc4nncs4)c4cccc(Cc2c1)c34
Fc1ccc2N3C(=O)C(C(=O)Nc4nc(ns4)-c4ccccc4)c4cccc(Cc2c1)c34
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Cc2cc(F)ccc32)no1
Fc1ccc2N3C(=O)C(C(=O)Nc4ccccn4)c4cc(F)cc(Cc2c1)c34
Fc1ccc(NC(=O)C2C(=O)N3CCCc4cc(F)cc2c34)c(F)c1
O=C(Nc1ccccn1)C1C(=O)N2c3c1cccc3Cc1ccccc21
FC(F)(F)c1nnc(NC(=O)C2C(=O)N3CCSc4cccc2c34)s1
Fc1cccc(F)c1NC(=O)C1C(=O)N2c3c1cccc3Sc1ccccc21
O=C(Nc1ccccn1)C1C(=O)N2c3c1cccc3CCc1ccccc21
COc1cc2C(C(=O)Nc3cc(F)ccc3F)C(=O)N3CCCc(c1)c23
FC(F)(F)c1nnc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)s1
O=C(Nc1ncccn1)C1C(=O)N2c3c1cccc3Cc1ccccc21
Fc1cc2C(C(=O)Nc3nc4ccccc4s3)C(=O)N3CCCc(c1)c23
Cc1cc(NC(=O)C2C(=O)N3CCCc4cc(F)cc2c34)sn1
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)sn1
O=C(Nc1ccccc1)C1C(=O)N2c3c1cccc3CCc1ccccc21
O=C(Nc1nccs1)C1C(=O)N2CCSc3cccc1c23
FC(F)(F)c1nnc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)s1
Clc1ccc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)cc1
Fc1cc2C(C(=O)Nc3nc(ns3)-c3ccccc3)C(=O)N3CCCc(c1)c23
O=C(Nc1ncc[nH]1)C1C(=O)N2c3c1cccc3Cc1ccccc21
O=C(Nc1ccn[nH]1)C1C(=O)N2c3c1cccc3Cc1ccccc21
O=C(Nc1nccs1)C1C(=O)N2c3c1cccc3Oc1ccccc21
Cc1cccc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)n1
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)c(F)c1
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)cc1
Fc1ccc2N3C(=O)C(C(=O)Nc4cc(F)ccc4F)c4cccc(Cc2c1)c34
Cc1cc(NC(=O)C2C(=O)N3CCSc4cccc2c34)sn1
N1c2ccccc2Sc2ccccc12
O=C(Nc1nccs1)C1C(=O)N2c3c1cccc3CCc1ccccc21
Fc1ccc(F)c(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)c1
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)sn1
Clc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Oc2ccccc32)cc1
O=C(Nc1nccs1)C1C(=O)N2c3c1cccc3Sc1ccccc21
C1c2ccccc2Nc2ccccc12
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)no1
O=C(Nc1ccccc1)C1C(=O)N2c3c1cccc3Sc1ccccc21
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Oc2ccccc32)cc1
Cc1nc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)sc1C
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Oc2ccccc32)no1
O=C(Nc1nccs1)C1C(=O)N2c3c1cccc3Cc1ccccc21
Cc1cnc(NC(=O)C2C(=O)N3CCCc4cc(F)cc2c34)s1
Fc1cccc(F)c1NC(=O)C1C(=O)N2c3c1cccc3Cc1ccccc21
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)c(F)c1
Fc1ccc(NC(=O)C2C(=O)N3CCSc4cccc2c34)c(F)c1
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)no1
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)c(F)c1
COc1ccc2Sc3ccccc3Nc2c1
Fc1cc2C(C(=O)Nc3nccs3)C(=O)N3CCCc(c1)c23
C1Cc2ccccc2Nc2ccccc12
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)cc1
Cc1cnc(NC(=O)C2C(=O)N3c4c2cc(F)cc4Cc2cc(F)ccc32)s1
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Cc2cc(F)ccc32)sn1
O=C(Nc1nc2ccccc2s1)C1C(=O)N2c3c1cccc3CCc1ccccc21
Cc1cnc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)s1
Cc1cnc(NC(=O)C2C(=O)N3c4c2cccc4CCc2ccccc32)s1
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Oc2ccccc32)c(F)c1
Fc1ccc2N3C(=O)C(C(=O)Nc4nccs4)c4cccc(Cc2c1)c34
Cc1cc(NC(=O)C2C(=O)N3c4c2cc(F)cc4Cc2cc(F)ccc32)ns1
Cc1cnc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)s1
Cc1cnc(NC(=O)C2C(=O)N3c4c2cccc4Cc2cc(F)ccc32)s1
COc1cc2C(C(=O)Nc3nc4ccccc4s3)C(=O)N3CCCc(c1)c23
O=C(Nc1ccccc1)C1C(=O)N2c3c1cccc3Cc1ccccc21
O=C(Nc1ccccn1)C1C(=O)N2c3c1cccc3Oc1ccccc21
Fc1ccc2N3C(=O)C(C(=O)Nc4nccs4)c4cc(F)cc(Cc2c1)c34
CCCCC[C@H](O)c1cccc(OCc2cccc(CC(O)=O)c2)c1
C(Oc1cccc2ccccc12)c1ccc2ccccc2n1
CCCc1c(O)c(ccc1OCC(O)COc1cccc(NC(=O)C(=O)OCC)c1C#N)C(C)=O
CCN1C(=S)N(C(=O)C1(C)C)c1ccc(cc1)N1CCN(CC1)c1ccc(O)cc1
CSc1ccccc1\C=C\C(=O)N(C)[O-]
OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1
OC(=O)c1ccc(CN(Cc2cccc(F)c2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
CC(N(O)C(N)=O)c1ccoc1
CCCc1c(ccc(c1O)C(=O)C)OC[C@H](COc2ccc3c(c2CCC)OC(=CC3=O)C(=O)O)O
CN(O)C(=O)C\C=C\c1ccc(cc1)-n1c(C)ccc1C
Cc1nc(NCCCCCCc2ccccc2)nc(C)c1O
CC(C(O)=O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Oc1ccccc1OCc1ccc2ccccc2n1
Oc1cccc(OCc2ccc3ccccc3n2)c1
COC1(CCCCC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cccc(OCC#Cc2ccccn2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ncc3ccccc3n2)c1
COC1(CCOC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3ncncc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3nccnc3c2)c1
COC1(CCOCC1)c1ccc(OCc2ccc3ccccc3c2)cc1
COC(C)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1C
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3oc(=O)ccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2cc3ccccc3[nH]c2=O)c1
COC1(CCN(C)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)cnc3c2)c1
COC1(CCCCOC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(OCc2ccc3ccccc3c2)ccc1C
COC1(COC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)n(C)c3c2)c1
CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1
COC1(CCOCC1)c1cccc(OCc2cccc3n(C)c(=O)ccc23)c1
CCC(OC)(c1nccs1)c1ccc(OCc2ccc3ccccc3c2)cc1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3c(ccn(C)c3=O)c2)c1
COC1(CCOCC1)c1cccc(OCc2ccc3n(C)c(=O)ccc3c2)c1
COC1(CCCOC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)oc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)ccc(=O)c3c2)c1
COC1(CCC(=O)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3N(C)C(=O)C(C)(C)c3c2)c1
COC1(CCOCC1)c1cccc(OCc2ccc3ccc(=O)n(C)c3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3[nH]c(=O)ccc3c2)c1
COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1C
COC1(CCOCC1)c1cc(F)cc(OCc2cc3ccccc3n(C)c2=O)c1
COC1(CCCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCSCC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cccc(OCC#Cc2ccccc2)c1
COC1(CCS(=O)(=O)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)sc3c2)c1
COC1(CCS(=O)CC1)c1cccc(OCc2ccc3ccccc3c2)c1
CC(C)N(O)C(=O)NCCCSc1nc2ccccc2s1
CN(O)C(=O)NCCSc1nc2ccccc2s1
CCOc1ccc2nc(SCCNC(=O)N(C)O)sc2c1
CC(C)N(O)C(=O)NCCSc1nc2ccccc2s1
ONC(=O)NCCSc1nc2ccccc2s1
CN(O)C(=O)NCCSc1nc2cccc(Cl)c2s1
CN(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1
CCOc1ccc2nc(SCCNC(=O)N(O)C(C)C)sc2c1
CN(O)C(=O)\C=C\Sc1nc2ccccc2s1
CN(O)C(=O)CSc1nc2ccccc2s1
CN(O)C(=O)CCSc1nc2ccccc2s1
CN(O)C(=O)NCCCSc1nc2ccccc2s1
CC(C)N(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1
CC(C)c1ccc2nc(SCCNC(=O)N(C)O)sc2c1
ONC(=O)NCCSc1nc2cc(Cl)ccc2s1
CN(O)C(=O)NCCSc1nc2cc(ccc2s1)C(F)(F)F
CN(O)C(=O)NCSc1nc2ccccc2s1
CN(O)C(=O)CCSc1nc2cc(Cl)ccc2s1
CN(C)Cc1noc(n1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CCO\C=N\c1noc(n1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(N=C(N)N)n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(N)no1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(=S)o[nH]1
[#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-c1noc(\[#7]=[#6](/[#7])-[#7])n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(NC#N)n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1CCOC1=O
CSC(N)=Nc1nc(ns1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:4.4|
CN(C)Cc1nc(no1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(CN)n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(CCl)no1
CNC(N)=Nc1nc(ns1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:4.4|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(N)n1
Cc1noc(n1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Cc1nc(no1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1noc(N)n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(N)o1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)[nH]1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=S)n1N
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(N)[nH]1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(S)o1
CSc1nnc(s1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(C=Cc2n[nH]c(=O)[nH]2)cc(c1O)C(C)(C)C |w:7.6|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=S)[nH]1
CC(C)(C)c1cc(C=Cc2n[nH]c(=O)o2)cc(c1O)C(C)(C)C |w:7.6|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)s1
CC(C)(C)c1cc(C=Cc2nnc(S)o2)cc(c1O)C(C)(C)C |w:7.6|
CSc1nnc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)s1
CC(C)(C)c1cc(\C=C\c2nnc(N)o2)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(C=Cc2n[nH]c(=S)[nH]2)cc(c1O)C(C)(C)C |w:7.6|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(N)s1
Cn1c(n[nH]c1=S)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
COc1cc2nc(NCc3cccnc3)sc2c(OC)c1O
CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(N)sc12
COc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1
Cc1c(C)c2nc(N)sc2c(Cc2cccnc2)c1O
CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1
Oc1cc(-c2ccccc2)c2nc(NCc3cccnc3)sc2c1
Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1
CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
Cc1c(O)c2ccccc2c2nc(NCc3cccnc3)sc12
CNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1
CCNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1
CCNc1nc2c(C)c(C)c(O)c(Cc3cccnc3)c2s1
Cc1c(C)c2nc(NCc3ccc(cc3)S(N)(=O)=O)sc2c(C)c1O
C[C@@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
NC(=O)N(O)CC#Cc1ccc(Cc2ccc(F)cc2)s1
C[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
NC(=O)N(O)CC#Cc1ccc(Oc2ccc(F)cc2)o1
CC(\C=C/c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
CC(C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
C[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O |r|
Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccncc1
CSc1ccc(cc1)-c1nc2CCCn2c1-c1ccncc1
Clc1ccc(cc1Cl)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Cn1nnc(n1)-c1cc(-c2ccoc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccccc2)c1
CC(C)(O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Cn1nnc(n1)-c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOC(=O)C1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
CC1OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
COC1CC(O)(CCO1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
CCCCc1cc(cc2cc(OCc3cccc(c3)C3(O)CCOCC3)ccc12)C(=O)OC
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccoc2)c1
COc1cccc(c1)-c1c2COC(=O)c2cc2cc(OCc3cccc(c3)C3(O)CCOCC3)ccc12
COC(=O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)-c2nnn[nH]2)-c2ccccc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C(=O)c2ccccc2)-c2ccoc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccc(Cl)cc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2F)c1 |(2.26,-3.69,;2.28,-2.15,;.91,.28,;-2.01,-1.07,;-3.91,-.24,;-2.75,-2.55,;.4,-1.19,;3.6,-1.39,;3.59,.15,;4.98,.83,;6.27,-.01,;6.33,-1.51,;7.65,-2.25,;8.99,-1.48,;10.31,-2.25,;10.31,-3.79,;11.62,-4.56,;12.97,-3.79,;14.29,-4.56,;15.62,-3.8,;17.08,-4.28,;17.98,-3.05,;17.08,-1.81,;17.58,-.33,;15.64,-2.26,;14.31,-1.49,;12.97,-2.25,;11.65,-1.45,;14.26,-6.1,;12.93,-6.84,;12.91,-8.38,;14.24,-9.15,;15.57,-8.41,;15.59,-6.87,;16.92,-6.11,;4.98,-2.25,)|
COCc1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OCc1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccco2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)-c2nc3ccccc3s2)-c2ccoc2)c1
COC(C)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(Cn4ccnc4)cc3c2)-c2ccccc2)c1
CC1(C)OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
CCc1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1CC(O)(CCO1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
COc1ccc(cc1)-c1c2COC(=O)c2cc2cc(OCc3cccc(c3)C3(O)CCOCC3)ccc12
OC1(CC2OC(C1)C=C2)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 |c:8,TLB:9:1:4:7.8,THB:0:1:4:7.8|
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C(=O)c2cccnc2)-c2ccoc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccsc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C(=O)c2nccs2)-c2ccoc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C2=NCCS2)-c2ccoc2)c1 |t:27|
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccc(F)cc2)c1
CC(=O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(Cc4nccs4)cc3c2)-c2ccoc2)c1
OC1(CC2CCC(C1)O2)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 |TLB:0:1:8:4.5,THB:9:1:8:4.5|
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2Cl)c1 |(2.26,-3.69,;2.28,-2.15,;.91,.28,;-2.01,-1.07,;-3.91,-.24,;-2.75,-2.55,;.4,-1.19,;3.6,-1.39,;3.59,.15,;4.98,.83,;6.27,-.01,;6.33,-1.51,;7.65,-2.25,;8.99,-1.48,;10.31,-2.25,;10.31,-3.79,;11.62,-4.56,;12.97,-3.79,;14.29,-4.56,;15.62,-3.8,;17.08,-4.28,;17.98,-3.05,;17.08,-1.81,;17.58,-.33,;15.64,-2.26,;14.31,-1.49,;12.97,-2.25,;11.65,-1.45,;14.26,-6.1,;12.93,-6.84,;12.91,-8.38,;14.24,-9.15,;15.57,-8.41,;15.59,-6.87,;16.92,-6.11,;4.98,-2.25,)|
Cn1nnnc1-c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
CC(O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
CC1(C)COC(=N1)c1cc(-c2ccoc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1 |c:5|
CC1CC(O)(CC(C)O1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
COC(=O)c1cc(Cc2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2cccnc2)c1
OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C2=NCCO2)-c2ccoc2)c1 |t:27|
OC1OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
CCOCc1ccc(o1)C(C)N(O)C(N)=O
CC(N(O)C(N)=O)c1ccc(COCc2ccccc2)o1
NC(=O)N(O)Cc1sccc1Oc1ccccc1
NC(=O)N(O)Cc1sc2ccccc2c1Sc1ccccc1
CC(N(O)C(N)=O)c1cc2ccccc2[nH]1
NC(=O)N(O)Cc1ccc2ccccc2n1
CC(N(O)C(N)=O)c1ccc(o1)-c1c(C)cc(C)cc1C
CC(N(O)C(N)=O)c1cc(C)oc1C
COc1ccc(cc1)-c1ccc(cc1)C(C)N(O)C(N)=O
Cc1ccsc1CN(O)C(N)=O
NC(=O)N(O)Cc1ccc(Sc2ccccc2)o1
CC(\C=C\c1ccoc1)N(O)C(N)=O
CC(N(O)C(N)=O)c1cc2ncccc2s1
CC(N(O)C(=O)C(F)(F)F)c1cc2ccccc2s1
CC(N(O)C(N)=O)c1nc2ccccc2s1
CC(N(O)C(N)=O)c1ccc(Cc2ccccc2)s1
NC(=O)N(O)Cc1ccc(Sc2ccc(Cl)cc2)s1
CC(C#Cc1ccco1)N(O)C(N)=O
CC(N(O)C(N)=O)c1sc2ccccc2c1Cl
CC(N(O)C(=O)NO)c1cc2ccccc2s1
CC(\C=C\c1ccc(C)o1)N(O)C(N)=O
CC(N(O)C(N)=O)c1ccc(CC(=O)NCc2ccccc2)o1
CC(N(O)C(N)=O)C(\F)=C\c1ccc(Oc2ccc(F)cc2)o1
CC(N(O)C(N)=O)c1cc2c(Cl)cccc2s1
CCCCc1ccc(o1)C(C)N(O)C(N)=O
CC(N(O)C(N)=O)c1cc2ccccc2o1
CC(N(O)C(N)=O)c1ccccc1
CC(\C=C\c1ccco1)N(O)C(N)=O
CC(C1CC1c1ccoc1)N(O)C(N)=O
CC(N(O)C(N)=O)c1ccc(\C=C\c2ccccc2)s1
CC(C1CC1)N(O)C(N)=O
COc1c(sc2ccccc12)C(C)N(O)C(N)=O
NC(=O)N(O)CC1CCCCC1
CC(C(=O)N(C)O)c1cc2ccccc2s1
Cc1occc1CN(O)C(N)=O
Cc1cc(CN(O)C(N)=O)c(C)o1
NC(=O)N(O)CC1CC1c1ccco1
CC(N(O)C(N)=O)c1cc2cccc(Cl)c2s1
CC(N(O)C(=O)NCC(N)=O)c1cc2ccccc2s1
CC(N(O)C(N)=S)c1cc2ccccc2s1
COc1ccc2oc(cc2c1)C(C)N(O)C(N)=O
CC(N(O)C(N)=O)c1ccc(o1)-c1ccccc1
CC(N(O)C(N)=O)c1ccc(Br)cc1
CC(N(O)C(=O)NCCO)c1cc2ccccc2s1
NC(=O)N(O)CC1CCC1
CC(N(O)C(N)=O)c1cc(C)sc1C
NC(=O)N(O)Cc1cc(Oc2ccccc2)cs1
NC(=O)N(O)CC1CC1c1ccoc1
NC(=O)N(O)CC1CC1c1cccc(Oc2ccccc2)c1
CC(Oc1ccc(cc1)C(C)N(O)C(N)=O)c1ccccc1
CC(N(O)C(=O)N(C)C)c1cc2ccccc2s1
CC(CO\N=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
CC(N(O)C(=O)NC(C)=O)c1cc2ccccc2s1
CC(N(O)C(N)=O)c1cc2cc(Cl)ccc2o1
C[C@@H](CN(O)C(N)=O)C#Cc1ccc(Oc2ccc(F)cc2)o1 |r|
NC(=O)N(O)Cc1cccc2c1oc1ccccc21
NC(=O)N(O)C\C=C\c1ccoc1
CC(C1CC1c1ccco1)N(O)C(N)=O
CC(C#Cc1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
C[C@H](CN(O)C(N)=O)C#Cc1ccc(Oc2ccc(F)cc2)o1 |r|
NC(=O)N(O)CC#Cc1cccc(Oc2ccccc2)c1
NC(=O)N(O)C\C=C\c1ccsc1
CC(\C=C\c1ccsc1)N(O)C(N)=O
CC(C1CC1c1cccc(Oc2ccccc2)c1)N(O)C(N)=O
CCNC(=O)N(O)C(C)c1cc2ccccc2s1
NC(=O)N(O)Cc1sccc1Sc1ccccc1
CC(N(O)C(N)=O)c1csc2ccccc12
CC(N(O)C(N)=O)c1sccc1C
CC(N(O)C(N)=O)c1ccc(\C=C\c2ccccc2)o1
CC(N(O)C(N)=O)c1cc2cc(F)ccc2s1
CC(N(O)C(N)=O)c1ccccc1-c1cccc2ccccc12
NC(=O)N(O)CC1CCCC1
NC(=O)N(O)CC1CC1
CC(N(O)C(N)=O)c1cc2ccccc2n1C
NC(=O)N(O)Cc1ccc(o1)-c1ccccc1
NC(=O)N(O)Cc1ccc(Oc2ccccc2)s1
CNC(=O)N(O)C(C)c1cc2ccccc2s1
NC(=O)N(O)Cc1cc(Sc2ccccc2)cs1
CCCCNC(=O)N(O)C(C)c1cc2ccccc2s1
CC(N(O)C(=O)NCCCCCO)c1cc2ccccc2s1
CC(N(O)C(N)=O)c1ccc(o1)-c1ccccn1
CC(C#Cc1ccoc1)N(O)C(N)=O
CC(N(O)C(N)=O)c1cc2cc(ccc2s1)C(C)(C)C
CC(N(O)C(N)=O)c1ccsc1
CC(N(O)C(N)=O)c1ccc(C)o1
CC(N(O)C(N)=O)C1=Cc2ccccc2S1(=O)=O |t:7|
CC(C)(C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
CCCCCNC(=O)N(O)C(C)c1cc2ccccc2s1
NC(=O)N(O)Cc1ccc(\C=C\c2cccs2)s1
NC(=O)N(O)C\C=C\c1ccc(o1)-c1ccccc1
CC(N(O)C(N)=O)c1cccs1
CC(C#Cc1cccc(Oc2ccccc2)c1)N(O)C(N)=O
CC(N(O)C(N)=O)c1cn(C)c2ccccc12
CC(N(O)C(N)=O)c1coc(C)c1
CC(N(O)C(=O)NC(N)=O)c1cc2ccccc2s1
CC(N(O)C(N)=O)c1ccc(s1)-c1cccs1
Cc1ccc(CN(O)C(N)=O)o1
CC(C#Cc1cc2ccccc2s1)N(O)C(N)=O
CC(N(O)C(N)=O)c1ccc(s1)-c1ccccc1
NC(=O)N(O)Cc1ccc(Oc2ccccc2)o1
NC(=O)N(O)Cc1ccco1
CC(N(O)C(N)=O)c1ccco1
NC(=O)N(O)CCO\N=C\c1ccc(Oc2ccc(F)cc2)o1
CC(N(O)C=O)c1cc2ccccc2s1
CC(N(O)C(N)=O)c1cccc(Oc2ccccc2)c1
Cc1ccc(\C=C\CN(O)C(N)=O)o1
NC(=O)N(O)Cc1ccoc1
CC(N(O)C(N)=O)c1ccc(cc1)-c1ccccc1
CC(N(O)C(N)=O)c1ccc(s1)-c1ccccn1
CC(N(O)C(N)=O)c1cc2ccsc2s1
CC(N(O)C(N)=O)c1ccc(C)s1
CC(NC(=O)N(C)O)c1cc2ccccc2s1
CC(N(O)C(N)=O)c1ccc(C)cc1
CC(\C=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O
CC(N(O)C(N)=O)c1ccc(OCCc2ccccc2)cc1
NC(=O)N(O)C\C=C\c1ccco1
CC(N(O)C(=O)NCc1ccccc1)c1cc2ccccc2s1
NC(=O)N(O)Cc1ccc(Sc2ccccc2)s1
Cn1c(CN(O)C(N)=O)nc2ccccc12
CC(N(O)C(C)=O)c1cc2ccccc2s1
CC(N(O)C(=O)NN)c1cc2ccccc2s1
CC(N(O)C(=O)NCC=C)c1cc2ccccc2s1
OC1(CCOCC1)c1cncc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
OC1(CCOCC1)c1nc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)cs1
OC1(CC2COC(C1)O2)c1cccc(OCc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
OC1(CCOCC1)c1ccc2ccc(COc3ccc4c(cc(cc4c3)C#N)-c3ccoc3)nc2c1
OC1(CCOCC1)c1cc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)ccn1
OC1(CCOCC1)c1ccnc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1
[#6]-[#8]-c1cc(-[#8])cc(-[#6]-[#6]-c2ccc(-[#8]-[#6])c(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])c1
[#6]-[#8]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2o1
COc1cc2CCC3(CCC(=O)C=C3)c2c(O)c1 |c:12|
C\C(=N/OC(CC=C)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
OC(=O)CSC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
Cc1cc(ccc1OCc1ccc2ccccc2n1)C(O\N=C\C(O)=O)C1CCCCC1
C\C(=N/OC(C1CCCCC1)c1cc2ccc(OCc3ccc4ccccc4n3)cc2s1)C(O)=O
C\C(=N/OC(C1CCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1SC1CCCCC1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2cscn2)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3o2)cc1
C\C(=N/O[C@H](C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O |r|
C\C(\C=C\C(O)=O)=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(=N/OC(C1CCCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
OC(=O)\C=N\OC(C1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccc3ccccc3n2)cc1 |TLB:13:8:16:12.14.11,13:12:7.8.9:16,THB:11:10:7:12.13.14,11:12:7:10.9.16,6:7:16:12.14.11,(18.19,-7.29,;18.17,-5.77,;19.52,-5,;16.84,-5,;15.51,-5.77,;14.16,-5,;12.83,-5.77,;12.83,-7.32,;11.65,-8.23,;12.07,-9.59,;13.22,-10.48,;11.58,-10.46,;11.16,-8.99,;9.9,-8.08,;12.42,-8.01,;14.04,-8.08,;14.44,-9.55,;11.51,-5,;11.51,-3.45,;10.17,-2.68,;8.85,-3.45,;7.52,-2.68,;6.19,-3.47,;4.85,-2.68,;4.84,-1.13,;3.5,-.37,;2.16,-1.15,;.82,-.37,;-.51,-1.15,;-.51,-2.71,;.82,-3.48,;2.16,-2.68,;3.5,-3.47,;8.85,-4.98,;10.17,-5.76,)|
CC(C)(C)SC\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)c(Cl)c1)C(O)=O
C\C(=N/OC(C1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O |TLB:4:5:12:8.14.9,7:8:12:5.6.11,THB:9:8:5:10.12.11,9:10:5:8.7.14,7:6:12:8.14.9,(19.63,-4.14,;19.63,-5.68,;18.3,-6.45,;16.96,-5.68,;15.64,-6.45,;15.63,-7.99,;14.46,-8.89,;12.72,-8.74,;13.97,-9.66,;14.39,-11.12,;16.01,-11.14,;14.87,-10.25,;17.24,-10.21,;16.82,-8.74,;15.22,-8.67,;14.32,-5.68,;14.32,-4.14,;12.97,-3.37,;11.65,-4.14,;10.33,-3.37,;9.01,-4.15,;7.68,-3.37,;7.66,-1.82,;6.33,-1.07,;4.99,-1.84,;3.66,-1.07,;2.33,-1.84,;2.33,-3.39,;3.66,-4.16,;4.99,-3.37,;6.33,-4.15,;11.65,-5.66,;12.97,-6.43,;20.94,-6.45,;20.97,-7.96,;22.29,-5.68,)|
OC(=O)\C=N\OC(C1CCCCC1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3s2)cc1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(CCc2ccc3ccccc3n2)cc1
[#8]-[#6](=O)-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#8]-[#6](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#8]-[#6]-c2ccc3ccccc3n2)cc1
c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2cc(on2)-c2ccccc2)cc1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3s2)cc1Br
COc1cc(OCc2ccc3ccccc3n2)ccc1C(O\N=C\C(O)=O)C1CCCCC1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
OCCSC\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(Cc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(cc1)-c1ccc2ccccc2n1
C\C(=N/OC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3s2)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(Oc2ccc3ccccc3n2)cc1
OC(=O)C(\Cc1ccc(O)cc1)=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2cnc3ccccc3n2)cc1
C\C(=N/OC(C1CCCCC1)c1cc(OCc2ccc3ccccc3n2)on1)C(O)=O
OC(=O)\C=N\OC(CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)C(\CCc1ccccc1)=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(CCC(O)=O)=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2nc(cs2)-c2ccccc2)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(\C=C\c2ccc3ccccc3n2)cc1
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2nc3cc(F)ccc3s2)cc1Cl)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(CCCc1ccc(F)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(CC1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3n2C)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2csc(n2)-c2ccc(Cl)cc2)cc1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3s2)cc1Cl
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2ccccn2)cc1
C\C(=N/OC(CC(C)(C)c1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)c(C)c1)C(O)=O
Cc1nc(COc2ccc(cc2)C(O\N=C\C(O)=O)C2CCCCC2)cs1
OC(=O)C(=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)\c1ccccc1
OC(=O)\C=N\OCC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(=N/OCC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2nc3ccccc3s2)cc1Cl)C(O)=O
CCCCC(O\N=C\C(O)=O)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(=N/OC(c1cccs1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc(cs2)-c2ccccc2)cc1
CC(C)(C)Sc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
C\C(CCCC(O)=O)=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(=N/OCc1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3cc(F)ccc3s2)cc1
OC(=O)\C=N\OC(C1CCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
CC\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O
OC(=O)c1ccc(\C=N\OC(C2CCCCC2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
OC(=O)C(\Cc1ccccc1)=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(CCCCCC(O)=O)=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)C(=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)\c1cccs1
CC(C)c1ccc(cc1)-c1csc(COc2ccc(cc2)C(O\N=C\C(O)=O)C2CCCCC2)n1
CC(C)(CC(O\N=C\C(O)=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1
C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1Cl)C(O)=O
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3cc(F)ccc3s2)cc1Cl
OC(=O)\C=N\OC(C1CCCCC1)c1cccc(c1)-c1ccccc1OCc1ccc2ccccc2n1
OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc3cccnc3s2)cc1
CCCCC(CCCC)C(O\N=C(/C)C(O)=O)c1ccc(OCc2ccc3ccccc3n2)cc1
CCCCC(CCCC)C(O\N=C\C(O)=O)c1ccc(OCc2ccc3ccccc3n2)cc1
O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC(F)(F)F
O=C1c2ccccc2-n2c1nc1ccccc1c2=O
OCCOc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCCO)cc1 |w:12.13,15.15|
Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:21.24,24.26,19.30,THB:18:19:23.22:25,TEB:26:19:23.22:25|
OC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1 |w:13.14,16.16,11.11,THB:18:11:15.14:17,TEB:8:11:15.14:17|
COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:26.29,29.31,24.35,THB:23:24:28.27:30,TEB:31:24:28.27:30|
CCCCCCC(Sc1nc(Cl)cc(Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2cc(C)c(cc2OC)-c2ccccc2)n1)C(O)=O
CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r|
CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O |r|
Cc1cc(S)c2ncccc2c1
Cc1ccc(S)c2ncccc12
Sc1cccc2cccnc12
Cc1cnc2c(S)cccc2c1
Cc1ccnc2c(S)cccc12
[#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8]
CC(C)CC(c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C)c1c(O)c2CC(Oc2c(C(C)=O)c1O)C(C)=C
[#6]-[#6](-[#6])-[#6]-[#6](-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8])-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c1-[#8]
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]-[#6@H](-[#8])-[#6](-[#6])=[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |r|
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c3-[#8]-[#6](-[#6]-c3c(-[#8])c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8]-c3c(-[#6](-[#6])=O)c2-[#8])C([#6])([#6])[#8])c(-[#8])c1-[#6](-[#6])=O
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6](-[#6])=O)c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c23)c(-[#8])c1-[#6](-[#6])=O
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6])[#8]-c3c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O |c:21|
[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6]-[#6](-[#6])-[#6])-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6](-[#6])=O
CC(C)CC(c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O)c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O |c:9,28|
CC(C)CC(c1c(O)cc(O)c(C(C)=O)c1O)c1c(O)cc(O)c(C(C)=O)c1O
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1cc(=O)oc2ccccc12
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)OCCOc1cc(=O)oc2ccccc12
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1Cl)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)OCCOc1cc(=O)oc2ccccc12
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCOc1cc(=O)oc2ccccc12
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(F)c1)C(=O)OCCOc1cc(=O)oc2ccccc12
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)[N+]([O-])=O)C(=O)OCCOc1cc(=O)oc2ccccc12
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCOc1ccc2ccc(=O)oc2c1
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)OCCOc1ccc2ccc(=O)oc2c1
COc1cc(cc(OC)c1OC)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1cc(=O)oc2ccccc12
COc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1cc(=O)oc2ccccc12
COc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(F)c1)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCOc1ccc2ccc(=O)oc2c1
COc1cc(cc(OC)c1OC)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1
NS(=O)(=O)c1ccc(cc1)-n1nc(COC(=O)c2cc3ccccc3oc2=O)cc1-c1ccc(F)cc1
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]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)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
C[C@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
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|
[#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][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|
COC1(CCOCC1)c1cc(F)cc(OCCCN2CCc3c(C2)c2cc(F)ccc2n3Cc2ccc(cc2)S(C)(=O)=O)c1
COc1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3ccccc3)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COC1(CCOCC1)c1cc(F)cc(OCCCN2CCc3c(C2)c2ccccc2n3C(=O)c2ccccc2)c1
COc1ccc2n(C(=O)c3ccccc3F)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3cccc(F)c3)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3ccc(F)cc3)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3c(Cl)cc(Cl)cc3Cl)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3ccc(Br)cc3)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc2n(C(=O)c3ccc(cc3)S(=O)(=O)\N=C\N(C)C)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(N)cc2)cc1 |c:9|
CCOc1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:10|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cccc(Cl)c1 |t:8|
COc1cc(Cl)cc(\C=C2/SC(=NC2=O)c2ccccc2)c1O |c:11|
COc1cccc(\C=C2/SC(=NC2=O)c2ccccc2)c1O |c:10|
COc1cc(\C=C2/SC(=NC2=O)c2ccccc2)cc(Cl)c1O |c:8|
COc1cc(\C=C2/SC(=NC2=O)c2ccccc2)cc(c1O)[N+]([O-])=O |c:8|
COc1ccc(OC)c(\C=C2/SC(=NC2=O)c2ccc(C)cc2)c1 |c:12|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)c(OC)c1OC |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)c(OC)c1 |c:9|
COc1cccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)c1O |c:10|
COc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc(Cl)c1O |c:8|
CCOc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc(Cl)c1O |c:9|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccccc1 |t:8|
Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\C=C\c1ccccc1 |t:8|
CC(C)(C)c1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:11|
O=C1N=C(S\C1=C/c1c2ccccc2cc2ccccc12)c1ccccc1 |c:2|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(Cl)cc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:9|
COC(=O)COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1 |c:13|
COC(=O)COc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:13|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(O)cc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(OC)cc2)cc1 |c:9|
COc1ccc(C=C2SC(=NC2=O)c2ccc(cc2)C(C)=O)cc1 |w:6.5,c:9|
COc1ccc(C=C2SC(=NC2=O)c2cccc(c2)C(C)=O)cc1 |w:6.5,c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2cccc(F)c2)cc1 |c:9|
Oc1ccc(\C=C2/SC(=NC2=O)c2ccc(Cl)cc2)cc1 |c:8|
CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1 |c:10|
O=C1N(\C(S\C1=C/C=C/c1ccco1)=N\c1ccccc1)c1ccccc1
Cc1ccc(C=C2SC(Nc3ccc4ccccc4c3)=NC2=O)cc1 |w:5.4,c:21|
COc1ccc(\C=C2/SC(=NC2=O)N2CCCC2)cc1 |c:9|
O=C1N=C(Nc2ccccc2)SC1=Cc1ccccc1 |w:13.15,t:2|
CCCOc1ccc(\C=C2/SC(=NC2=O)N2CCCCCC2)cc1 |c:11|
Oc1[nH]c(=O)sc1C(=C)c1cc(-c2ccccc2)c(O)c(c1)-c1ccccc1
CCCOc1ccc(\C=C2/SC(=NC2=O)c2ccc(OC)cc2)cc1 |c:11|
COc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OC)c2ccccc12 |t:9|
COc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc2ccccc2c1 |t:9|
COc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc2ccccc2[nH]1 |t:9|
O=C1N=C(S\C1=C/c1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1 |c:2|
O=C1N=C(S\C1=C/c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 |c:2|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(Oc3ccccc3)cc2)c2ccccc12 |c:9|
O=C1N=C(S\C1=C/c1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1 |c:2|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc3ccccc3c2)c2ccccc12 |c:9|
O=C1N=C(S\C1=C/c1ccc2[nH]ccc2c1)c1ccc2ccccc2c1 |c:2|
COc1ccc(cc1)C(=C)c1sc(nc1O)-c1ccc(N)cc1
CCCOc1ccc(\C=C2/SC(=NC2=O)c2ccc(Cl)cc2)cc1 |c:11|
Clc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OCc2ccccc2)cc1 |t:8|
COc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(C)cc1 |t:9|
COc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)cc1 |t:9|
CCCOc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:11|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(Br)cc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(F)cc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2cccc(Cl)c2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccccc2Cl)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(cc2)C(=O)c2ccccc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(c(O)c2)[N+]([O-])=O)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 |c:9,TLB:19:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
CCC(=O)Nc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:12|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc3ccccc3c2)cc1 |c:9|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc3ccccc3c2)cc1O |c:9|
Clc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cccc(Oc2ccccc2)c1 |t:8|
Clc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1ccc(Oc2ccccc2)cc1 |t:8|
COc1ccc2cc(\C=C3/SC(=NC3=O)c3ccc(Cl)cc3)ccc2c1 |c:11|
COc1ccc(\C=C2/SC(=NC2=O)c2ccc(Cl)cc2)c2ccccc12 |c:9|
COc1cccc(CNc2nc3ccccc3n2C)c1O
CC(C)CC(=O)Nc1nc-2c(CCc3ccccc-23)s1
COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1OC |w:7.6|
CN(C)c1ccc(cc1)-n1nc2ccc3ccccc3c2n1
COc1ccc(cc1OC)-c1nc2cc(C)ccc2o1
COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1
COc1ccc(cc1CN1CCOCC1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccc(O)cc2)c(c1)[N+]([O-])=O
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccs2)c(c1)[N+]([O-])=O
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O
COc1cc(cc(OC)c1OC)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(O)c2)c(c1)[N+]([O-])=O
OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O
CN(C)c1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1
Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O
OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F
OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1
Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O
OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1
COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1
COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1
C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1
C\C=C\c1ccc2O[C@@H]([C@@H](CO)c2c1)c1ccc(O)cc1 |r|
C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O
C\C=C\c1ccc2O[C@H]([C@H](C)c2c1)c1ccc(O)cc1 |r|
C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1
COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1
C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1
CC(N(O)C(N)=O)c1ccc(OCc2ccccc2)cc1
C(c1nnc2sc(nn12)C1COc2ccccc2O1)n1nnc2ccccc12
[O-][N+](=O)c1ccc(o1)C(=O)NCCNC(=O)c1ccc2ccccc2n1
CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Clc1ccc(\C=C2/N=C(OC2=O)c2ccc3ccccc3c2)cc1 |c:7|
CC(=NCc1ccc(Cl)c(Cl)c1)c1c([nH]n(-c2nc3ccccc3s2)c1=O)C(F)(F)F |w:2.2|
C(Sc1ccccc1)c1nnc2sc(nn12)-c1ccc2OCCOc2c1
COc1cc(Cl)cc(\C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O
[O-][N+](=O)c1cc(ccc1Cl)C(=O)NC1c2ccccc2Oc2ccccc12
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1CC(=NO1)c1cccc(Br)c1 |c:22|
[O-][N+](=O)c1cc(ccc1Cl)C(=O)C(C#N)c1nc2ccccc2s1
COC(=O)c1ccc(NC(=S)NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
Cc1cc(Cl)ccc1NC(=O)Cn1nnc2sc3CCCCc3c2c1=O
Clc1ccc(cc1Cl)-c1nn2c(Cc3ccccc3)nnc2s1
Oc1c(I)cc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccccc1
COc1ccc(\C=C2/N=C(OC2=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(OC)c1OC |c:8|
COc1ccc(cc1)-c1nnc2sc(\C=C\c3ccccc3OC)nn12
OC(=O)c1cc(ccc1Cl)-n1nnnc1SCC(=O)Nc1ccc(F)cc1
Cc1cccc(c1)C1=N\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C(=O)O1 |t:8|
[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)n1cnc2ccccc12
Cn1ncc(Cl)c1C(=O)N[N-][CH+]c1ccccc1OC(=O)c1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(NCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Cc1ccc2cccc(OC(=O)c3cccc(c3)[N+]([O-])=O)c2n1
Cc1cccc(c1)N=C1NS(=O)(=O)c2cc(ccc12)[N+]([O-])=O |w:7.7|
[O-][N+](=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)OCC(=O)c1ccccc1
Cc1ccc(Sc2nc(nn2CC(=O)c2ccccc2)[N+]([O-])=O)cc1
CCOc1cc(CN=Nc2nc3ccccc3s2)cc(c1O)[N+]([O-])=O |w:8.8|
[O-][N+](=O)c1ccc(CSc2cc3ccccc3[nH]2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)O[N-][CH+]c1ccc(Br)cc1
CCCCC(Sc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O
CCCCC(Sc1nc(OCCC(C)C)cc(OCCC(C)C)n1)C(O)=O
CCCCC(Sc1nc(OCCC2CC2)cc(OCCC2CC2)n1)C(O)=O
CCCCC(Sc1nc(OCCC2CCCC2)cc(OCCC2CCCC2)n1)C(O)=O
CCCCC(Sc1nc(OCCC2CCCCCC2)cc(OCCC2CCCCCC2)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccsc2)cc(OCCc2ccsc2)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccc(C)cc2)cc(OCCc2ccc(C)cc2)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccc(OC)cc2)cc(OCCc2ccc(OC)cc2)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc2ccc(cc2)C(F)(F)F)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccc(OC(F)(F)F)cc2)cc(OCCc2ccc(OC(F)(F)F)cc2)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccc(cc2)[N+]([O-])=O)cc(OCCc2ccc(cc2)[N+]([O-])=O)n1)C(O)=O
CCCCC(Sc1nc(OCCc2ccc(cc2)C#N)cc(OCCc2ccc(cc2)C#N)n1)C(O)=O
CCCCC(Sc1nc(OCCCCc2ccccc2)cc(OCCCCc2ccccc2)n1)C(O)=O
CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(O)=O
CCCCC(Sc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1)C(O)=O
OC(=O)C(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)c1ccccc1
CCCCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
CCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
OC(=O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1
CCCC\C(=C/c1cc(OCCC2CCCCC2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCCc1ccc(cc1)C(F)(F)F)C(O)=O
CCCC\C(=C/c1cc(OCCC2CCCCC2)ccc1OCCC1CCCCC1)C(O)=O
CCCC\C(=C/c1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(O)=O
CCCC\C(=C/c1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(O)=O
CCCCC(Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(O)=O
CCCCC(Cc1ccc(OCCc2ccccc2)cc1OCCc1ccccc1)C(O)=O
CCCCC(Cc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1)C(O)=O
CCCCC(Cc1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(O)=O
CCCC\C(=C/c1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O
CCCCC(Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O
CCCCC(Oc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O
Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1
Clc1ccc(cc1)C#Cc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1ccccc1)-c1ccccc1
OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1
OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1ccc(Cl)cc1)-c1ccccc1
OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1ccccc1)-c1ccccc1
Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1
Cc1c(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1
Cc1c(CC(O)=O)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1
Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(Br)ccc2n1Cc1ccc(Cl)cc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(cc1)-c1ccccc1)-c1ccccc1
Clc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Clc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccccc1)-c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NS(=O)(=O)c3ccc(C)cc3)c2c1
ON1CCc2ccccc2C1=O
ON1CCc2cc(CCCCc3ccccc3)ccc2C1=O
CN(O)C(=O)c1ccc(CCCCc2ccccc2)cc1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccc2ccccc12)-c1ccncc1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccc(Cl)c1)-c1ccncc1
CS(=O)(=O)NCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(NC(C)=O)c1)-c1ccncc1
CS(=O)c1ccccc1-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COc1ccccc1-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)N=[N+]=[N-]
CS(=O)(=O)c1cccc(c1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Fc1ccc(cc1)-c1nc([nH]c1-c1ccncc1)-c1ccc(cc1)-c1nc(=O)o[nH]1
NCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1nc(no1)-c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN(C)Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(NS(C)(=O)=O)c1)-c1ccncc1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2ccccc2c1)-c1ccncc1
CSc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(c1)[N+]([O-])=O)-c1ccncc1
CSc1ccc(cc1)-c1nc(c([nH]1)-c1cccc(N)c1)-c1ccncc1
NC(=O)N(O)Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1cccc(c1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2ccccc12)-c1ccc(cc1)C#N
CS(=O)(=O)c1ccccc1-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1ccccc1-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
[O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(CNC=O)cc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(CN2CCOCC2)cc1
COc1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
CCc1[nH]c(nc1-c1ccncc1)-c1ccc(OC)cc1
Ic1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)N=[N+]=[N-]
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccc(NS(C)(=O)=O)c1)-c1ccncc1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=NO)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |w:2.2|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)C#N
Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
CS(=O)c1cccc(c1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cc1cc(cc(Cl)n1)C(=O)Nc1nnc(s1)-c1ccc(cc1)-c1ccccc1N
Nc1ccccc1-c1ccc(cc1)-c1nnc(NC(=O)c2ccccc2Br)s1
OCc1ccccc1\C=C\Cc1cc2OCCc2cc1O
CCCCCCCCCCCCCCCCCCOC1C(=O)O[C@H](C(O)CO)C1=O |r|
CCCCCNC(=O)c1cccc2[nH]n(C)c(=O)c12
O=c1[nH]n(-c2ccccc2)c2ccccc12
COc1nn(Cc2ccccc2)c2ccccc12
C[C@@H](c1cccc2ccccc12)n1[nH]c2ccccc2c1=O
Cn1n(Cc2ccccc2)c2ccccc2c1=O
CCCCCNC(=O)c1cccc2[nH]n(Cc3cccnc3)c(=O)c12
C(Oc1[nH]nc2ccccc12)c1ccccc1
CCCCCNC(=O)c1cccc2[nH][nH]c(=O)c12
COc1c(cc(cc1C(C)(C)C)-c1nnc(S)s1)C(C)(C)C
Cn1nc(sc1=S)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CN(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1cccc(Br)c1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(OC)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(CNC(=O)N(C)O)c1OCCSc1ccc(Cl)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(Cl)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccccc1Br)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1c(F)c(F)cc(F)c1F)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCS(=O)(=O)c1ccccc1Br)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCS(=O)(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(Br)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
C\C(CCC(O)=O)=N\OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
C\C(=N/O[C@@H](C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O |r|
OC(=O)C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)\c1cccs1
C\C(=N/O[C@@H](C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C([O-])=O |r|
OC(c1cc(F)cc(Sc2ccc(\C(=C/C([O-])=O)c3ccc(F)cc3)c([O-])c2)c1)(C(F)(F)F)C(F)(F)F
CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O |r|
c1cc(sc1)C(=O)c2c3cc(ccc3n(c2O)C(=O)N)Cl
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
COc1ccc2n(OS(=O)(=O)c3ccc(C)cc3)cc(C(=O)C(=O)N3CCOCC3)c2c1
COc1ccc2n(cc(C(=O)C(=O)N3CCCC3)c2c1)C(=O)\C=C\c1ccccc1
O=C(N1CCOCC1)C(=O)c1cn(C(=O)\C=C\c2ccccc2)c2ccccc12
O=C(N1CCCC1)C(=O)c1cn(C(=O)c2ccccc2)c2ccccc12
Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCCC2)c2ccccc12
COc1cc(ccc1OCCCNC(=O)NC1CCCCC1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)-c1nc2ccc(C)cn2c1NC1CCCCC1 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
COc1ccc(cc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1ccc(cc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC(C)C
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC(C)C
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC(C)C
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(F)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(F)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)-c1nc2ccc(C)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCNC(=O)Nc1ccc(Cl)cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
CC(C)Nc1c(nc2ccc(C)cn12)-c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCC2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)cc1
OCC1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r|
CCOc1ccc(OCC)c(c1)C(=O)\C=C\c1ccccc1
CCOc1ccc(OC)cc1C(=O)\C=C\c1ccccc1
COc1ccc(OC(C)C)cc1C(=O)\C=C\c1ccccc1
CCOc1ccc(OC)c(c1)C(=O)\C=C\c1ccccc1
COc1ccc(C)cc1C(=O)\C=C\c1ccccc1
Cc1ccc(C)c(c1)C(=O)C=Cc1ccccc1 |w:10.10|
CCCCOc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
CC(C)Oc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
CC(C)c1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
CCOc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
COc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
Cc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
Oc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1
COc1ccc(OC)c(c1)C(=O)\C=C\c1ccccc1
COc1cc(\C=C\C(=O)c2ccccc2)cc(OC)c1OC
Cc1cc(C)c(\C=C\C(=O)c2ccccc2)c(C)c1
COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
COc1cccc(OC)c1\C=C\C(=O)c1ccccc1
COc1ccc(OC)c(\C=C\C(=O)c2ccccc2)c1
COc1ccc(\C=C\C(=O)c2ccccc2)c(OC)c1
Cc1ccc(\C=C\C(=O)c2ccccc2)c(C)c1
COc1cc(\C=C\C(=O)c2ccccc2)ccc1O
COc1ccc(O)c(\C=C\C(=O)c2ccccc2)c1
COc1ccc(\C=C\C(=O)c2ccccc2)c(O)c1
CC(C)Oc1ccc(\C=C\C(=O)c2ccccc2)cc1
CN(C)c1ccc(\C=C\C(=O)c2ccccc2)cc1
CN(C)c1cccc(\C=C\C(=O)c2ccccc2)c1
COc1ccc(\C=C\C(=O)c2ccccc2)cc1
COc1cccc(\C=C\C(=O)c2ccccc2)c1
COc1ccccc1\C=C\C(=O)c1ccccc1
Cc1ccc(\C=C\C(=O)c2ccccc2)cc1
Cc1cccc(\C=C\C(=O)c2ccccc2)c1
FC(F)(F)c1ccccc1\C=C\C(=O)c1ccccc1
[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1
Clc1ccc(\C=C\C(=O)c2ccccc2)cc1
Clc1ccccc1\C=C\C(=O)c1ccccc1
Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r|
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(CC)s2)-c2ccccc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)n1)C(O)=O |TLB:23:24:28:22.27.21,THB:25:24:27.26.28:21|
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(OC)cc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2Cl)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)n1)C(O)=O
CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r|
CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r|
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2cccc3ccccc23)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O
OC(=O)C(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)c1cccc2ccccc12
CCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O
CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(c2)-c2ccccc2)n1)C(O)=O
CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Oc1ccc(Nc2nc(cs2)-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:21:22:25.20.19:26,THB:21:20:27.22.23:26,19:20:23:27.18.26,19:18:23:21.25.20,16:18:23:21.25.20|
c1coc(c1)-c1nc2ccccc2o1
COC(=O)Nc1nc(c(C)s1)-c1ccccc1
[O-][N+](=O)c1ccc(s1)-c1ncc2ccccn12
Oc1ccc(CC2=C(N=O)C3CCN2CC3)cc1 |c:6,(60.33,-4.83,;58.78,-4.86,;58.04,-6.21,;56.5,-6.24,;55.71,-4.92,;54.16,-4.95,;53.37,-3.63,;51.83,-3.65,;51.08,-5,;51.88,-6.32,;51.04,-2.34,;51.78,-.99,;53.32,-.95,;54.11,-2.28,;53.18,-1.54,;51.77,-1.54,;56.44,-3.57,;57.98,-3.54,)|
COc1ccc2c(c1)oc(cc2=O)C(F)(F)F
Nc1ccc2nc([nH]c2c1)-c1ccco1
CC(C)(C)c1cc(C=NNC(=O)c2ccccc2)c(O)c(c1)C(C)(C)C |w:7.6|
CC(C)(C)c1cc(C=NNC(=O)c2ccncc2)c(O)c(c1)C(C)(C)C |w:7.6|
CC(C)(C)c1cc(C=NNC(=O)c2ccccc2O)c(O)c(c1)C(C)(C)C |w:7.6|
CC(C)(C)c1cc(C=NNC(=O)c2cccnc2)c(O)c(c1)C(C)(C)C |w:7.6|
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O
c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O
Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1
Oc1ccc(C(=O)Cc2ccc3ccccc3c2)c(O)c1
Oc1ccc(-c2csc3ccccc23)c(O)c1
Oc1ccc(c(O)c1)-c1cccc(c1)[N+]([O-])=O
O=C1CC(=O)C(Cc2ccccc2)=CC1=O |c:13|
O=C1CC(=O)C(=O)C(CC2CCCCC2)C1=O
COC1=CC(=O)C(=O)C(Cc2ccc3ccccc3c2)C1=O |t:2|
COC1=CC(=O)C(=O)C(Cc2ccccc2)C1=O |t:2|
Oc1ccc(c(O)c1)-c1cccc2c1oc1ccccc21
Oc1ccc(Cc2ccccc2)c(O)c1
O=C1CC(=O)C(=CC1=O)c1cccc2c3ccccc3oc12 |c:5|
OC(=O)c1ccc2cc(CC3=CC(=O)C(=O)CC3=O)ccc2c1 |t:10|
[O-][N+](=O)c1cccc(c1)C1=CC(=O)C(=O)CC1=O |t:10|
CCCCCCc1ccc(O)cc1O
Oc1ccc(Cc2ccc3ccccc3c2)c(O)c1
Oc1ccc(c(O)c1)-c1ccccc1
COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O |c:19,t:2|
O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
CCCCC=Cc1cc(O)c(O)cc1O |w:5.5|
Oc1ccc(c(O)c1)-c1cccc2Sc3ccccc3Sc12
O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O
Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12 |r|
Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12 |r|
Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2cnc[nH]2)C(O)=O)c2ccccc12 |r|
Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
COC(=O)[C@H]1CCCN1C(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
COC(=O)CC[C@@H](NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC |r|
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
COC(=O)[C@H]1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12 |r|
COC(=O)CC[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)OC |r|
COC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3[nH]2)c1O
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O
COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4ccccc4s3
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O
OCCCc1ccc(O)c(O)c1
C\C=C(\C=O)[C@@H](CC=O)CC(=O)OCCc1ccc(O)c(O)c1 |r|
Clc1nc(Nc2ccc(cc2)N2CCOCC2=O)nc(n1)N1CCCC1
CC[C@](O)(c1nnc(NCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)o1)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1nc(SCCN(O)C(N)=O)nn1-c1ccc(Br)cc1
Cc1cc(Nc2ncc(o2)-c2ccc(F)cc2)cc(C)c1O
CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
CC(C)Cc1ccc(cc1)C1CC(O)=CC1=O |c:14|
CC(C)Cc1ccc(cc1)C(C)C1(O)COC1
CC(C)Cc1ccc(cc1)C(C)C1(O)CS(=O)(=O)C1
CC(C)Cc1ccc(cc1)C(C)C1(O)CSC1
CC(C)Cc1ccc(cc1)C(C)c1nnn[nH]1
CC(C)Cc1ccc(cc1)C(C)C1(O)C[S+]([O-])C1 |(25.37,-32.74,;26.7,-31.97,;26.7,-30.43,;28.03,-32.74,;29.37,-31.98,;29.37,-30.43,;30.7,-29.66,;32.03,-30.42,;32.04,-31.97,;30.7,-32.75,;33.37,-29.65,;33.36,-28.11,;34.7,-30.42,;36.03,-29.64,;33.6,-31.51,;34.69,-32.61,;34.69,-34.14,;35.79,-31.52,)|
CC(C)Cc1ccc(cc1)C(C)c1nc2cc(CCC(O)=O)ccc2n1Cc1ccccc1Cl
CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1ccc(cc1)C(O)=O
CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1n[nH]c(=S)o1
COc1ccc(cc1)-c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1
O=C(c1sc(nc1-c1ccccc1)N1CCOCC1)c1ccccc1
COc1ccc(cc1)C(=O)NC(=S)N1CCCCC1
O=C(c1sc(nc1-c1ccccc1)N1CCCCC1)c1ccccc1
O=C(NC(=S)N1CCN(CC1)c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(=O)NC(=S)N1CCCCC1
[#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |c:20|
[#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occc(=O)c2c1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc3-[#8]-[#6@@H](-[#6]-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-c1cc(-[#8])cc(-[#8])c1 |r,c:23|
[#6]-[#8]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccccc1Br
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccccc1F
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccccc1Cl
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccccc1Br
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1cccc(Br)c1
CCOC(=O)c1c(oc2ccc(O)cc12)-c1cc(Br)ccc1F
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccccc1C
CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccc(Br)cc1F
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1cccc(Cl)c1
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccccc1Cl
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(C)c1
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccccc1OC
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Br)cc1F
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)c(Cl)c1
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Br)c1
CCOC(=O)c1c(C)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2c(F)cccc2F)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(Cc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccc(Br)cc1F
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccccc1OC
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccccc1Br
CCOC(=O)c1c(oc2ccc(O)cc12)-c1cccc(Br)c1
CCOC(=O)c1c(oc2ccc(O)cc12)-c1cccc(Cl)c1
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccccc1OC
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cc(Br)ccc1F
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccc(Cl)c(Cl)c1
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1cc(Br)ccc1F
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccc(Cl)c(Cl)c1
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccccc1Cl
CCOC(=O)c1c(oc2c1cc(O)c1ccccc21)-c1ccccc1F
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccccc1F
CCOC(=O)c1c(oc2ccc(O)cc12)-c1ccc(Cl)cc1
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cc(C)cc(C)c1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCC1CCN(Cc2ccccc2)CC1
COc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)oc(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1
Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
OC(=O)c1ccc(cc1)N(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
OC(=O)c1ccc(cc1)N(Cc1cccs1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1ccc2ccccc2c1)C(=O)c1ccc(cc1)-c1ccccc1
OC(=O)CCc1ccc(cc1)N(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1cccc(Oc2ccccc2)c1)C(=O)c1ccc(cc1)-c1ccccc1
CCCCCCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)(C)c1ccc(CN(C(=O)c2ccc(cc2)-c2ccccc2)c2ccc(cc2)C(O)=O)cc1
OC(=O)c1ccc(cc1)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(cc1)-c1ccccc1
Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O
OC(=O)c1ccc(cc1)N(CC1CCCCC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Cc1ccc(CN(c2ccc(cc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
OC(=O)c1ccc(cc1)N(Cc1ccoc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)Cc1ccc(cc1)N(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(Cc1ccc2OCCOc2c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)(C)c1ccc(CN(C(=O)c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(O)=O)cc1
CC(C)(C)C#Cc1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(O)=O
COc1cccc(CN(C(=O)c2ccc(cc2)-c2ccccc2)c2ccc(cc2)C(O)=O)c1
OC(=O)c1ccc(cc1)N(Cc1cccc(OCc2ccccc2)c1)C(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(cc1)N(CC1CCCCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc2ccccc2c1)c1ccc(cc1)C(O)=O
Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(O)=O
CCCCCCN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
CC[C@H](C)CCC1(C)OC1c1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c21 |r|
CC(C)CCC1(C)OC1c1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c21
CCc1ccc2ccccc2c1O
Oc1c(Cc2ccccc2)cc(C(=O)Oc2ccccc2)c2ccccc12
Oc1c(\C=C\c2ccccc2)ccc2ccccc12
CN(C)c1ccc(\C=C\C(=O)c2sc(NC(=O)c3ccccc3)nc2C)cc1
Cc1nc(NC(=O)c2ccccc2)sc1C(=O)\C=C\c1ccc(F)cc1
Cc1nc(NC(=O)c2ccccc2)sc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
COc1cc(\C=C\C(=O)c2sc(NC(=O)c3ccccc3)nc2C)cc(OC)c1OC
COc1ccc(cc1)C(=O)Nc1nc(C)c(s1)C(=O)\C=C\c1ccc(C)cc1
Cc1nc(NC(=O)c2ccccc2)sc1C(=O)\C=C\c1cc2OCOc2cc1Br
Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)\C=C\c1ccc(C)cc1
COc1ccc(cc1)C(=O)Nc1nc(C)c(s1)C(=O)\C=C\c1ccc(F)cc1
CC1(C)Oc2cc(\C=C\c3ccc(O)cc3)cc(O)c2C=C1 |c:22|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1
[#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1
[#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
COc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)NCCN1CCOCC1
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)OCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)OCCCN1CCOCC1
COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(F)c1)C(=O)N1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)N1CCSCC1
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)N1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(=O)N1CCOCC1
COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)N1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)N1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)N1CCSCC1
COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(F)c1)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCSCC1
COc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)N1CCSCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(=O)OCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)OCCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(=O)OCCN1CCOCC1
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)NCCCN1CCOCC1
COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1
CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCN1CCOCC1
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1
COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1
COc1cc(OC)cc(\C=C\c2ccc(O)c(OC)c2)c1
c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O
COc1cc(OC)cc(\C=C\c2ccc(O)c(O)c2)c1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
Cc1cc(NC(=O)Nc2ccccc2)ccc1OCc1nc2ccccc2s1
Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1Cl
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCc1nc2ccccc2s1
Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1nc2ccccc2s1
Clc1ccccc1NC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1
Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Clc1ccc(NC(=O)Nc2ccc(\C=C\c3nc4ccccc4s3)cc2)cc1Cl
Clc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4s3)cc2)cc1Cl
Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1
Clc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4s3)cc2)cc1Cl
O=C(Nc1ccccc1)Nc1ccc(OCc2nc3ccccc3s2)cc1
Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1Cl
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1
Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1nc2ccccc2s1
Cc1cc(NC(=O)Nc2ccccc2Cl)ccc1OCc1nc2ccccc2s1
Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Cl)c1
Clc1cc(Cl)c(c(Cl)c1)-n1cc(Cn2cc3c(n2)c2ccccc2oc3=O)nn1
Clc1cc(Cl)c(c(Cl)c1)-n1cc(Cn2ncc3c2c2ccccc2oc3=O)nn1
[H][C@]1(CCc2c(C)cc(OCCC)c(C)c2C1)[C@@H](C)C(=O)Nc1ncc(C)s1 |r|
[H][C@]1(CCc2c(C)cc(OCCC)c(C)c2C1)[C@@H](C)C(=O)Nc1ccccn1 |r|
[H][C@]1(CCc2c(C)cc(OCCC)c(C)c2C1)[C@@H](C)C(=O)NCc1cccs1 |r|
[H][C@]1(CCc2c(C)cc(OCCC)c(C)c2C1)[C@@H](C)C(=O)Nc1nccs1 |r|
COc1cc(ccc1O)CC=C
O\N=C1/C(/Nc2ccccc/12)=C1/C(=O)Nc2cc(Br)ccc12
C=CCSCC=C
c1ccc(cc1)/C=C/C=O
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
Oc1cccc(C(=O)NCCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(\[#6]=[#7]\[#7]-[#6](-[#7])=O)c2cc(Br)ccc12
Clc1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)cc1)-c1c[nH]c2ccccc12
Cc1ccc(cc1)S(=O)(=O)n1c(cc2ccccc12)C(=O)C(=O)N1CCCC1
Cn1nccc1-c1ccc(Sc2ccc(cc2)C2(CCOCC2)C(N)=O)cc1
c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2
CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O
[H][C@@]12[C@H](O)C(=O)Oc3c(O)c(O)cc(c13)C(=O)O[C@H]1[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]3COC(=O)c4ccccc4-c4c(O)c(O)c(O)cc4C(=O)O[C@H]1[C@@H]3OC(=O)[C@H]2CC(O)=O |r|
Oc1ccc(\C=C\C=C\C(=O)N2CCCCC2)cc1O
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19|
Oc1cc(\C=C\C=C\C(=O)N2CCCCC2)cc(O)c1O
c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O
c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O
Oc1cccc(\C=C\C(=O)OCCc2ccccc2)c1O
Oc1ccc(O)c(\C=C\C(=O)OCCc2ccccc2)c1
Oc1ccc(O)c(\C=C\C(=O)CCc2ccccc2)c1
NC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1ccccc1O |r|
Oc1cccc(C2=NC[C@H](CCCCNC(=O)c3c(O)cccc3F)N2)c1O |r,t:6|
Oc1cccc(C2=NC[C@H](CCCCNC(=O)c3ccccc3O)N2)c1O |r,t:6|
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1O |r|
NC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1cccc(O)c1O |r|
Oc1cccc(C(=O)NCCCC[C@H]2CN=C(N2)c2cccc(O)c2O)c1O |r,c:15|
Oc1cccc(C(=O)NCCCC[C@H]2CN=C(N2)c2ccccc2O)c1O |r,c:15|
Oc1ccccc1C(=O)NCCCC[C@H]1CN=C(N1)c1ccccc1O |r,c:17|
Oc1cccc(C(=O)NCCCC[C@H]2CN=C(N2)c2c(O)cccc2F)c1O |r,c:15|
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O |r|
NC[C@H](CCCCNC(=O)c1ccccc1O)NC(=O)c1cccc(O)c1O |r|
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1c(O)cccc1F |r|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
[H][C@@]12C[C@@](C)(CO)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C |r,t:17|
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:11|
[H][C@@]12C[C@@](C)(CO)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C |r,t:17|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18|
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:12|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
[H][C@@]12CC(C)(C)CC[C@@]1(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)C(O)=O |r,t:15|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:10|
C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:11|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(O)=O |t:9|
[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|
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:11|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C |r,t:16|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C |r,t:16|
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)s1)C(O)=O
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cc2ccccc2s1)C(O)=O
Cn1nc(cc1-c1ccn(C(F)F)c(=O)c1)C(F)(F)F
C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)NCc1ccccc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
CCN(Cc1ccccc1)C(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)NCc1cccnc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
COc1ccccc1CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
COc1cccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3cc(O)cc(C)c3O2)c1 |r|
COc1ccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3cc(O)cc(C)c3O2)cc1 |r|
C\C(CC\C=C(/C)C(=O)NCC1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)N1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)NCc1ccccc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
CCN(Cc1ccccc1)C(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)NCc1cccnc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
COc1ccccc1CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
COc1cccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 |r|
COc1ccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1 |r|
C\C(CC\C=C(/C)C(=O)NCC1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)N1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)NCc1ccccc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
CCN(Cc1ccccc1)C(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)NCc1cccnc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
COc1ccccc1CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
COc1cccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3c(C)c(O)cc(C)c3O2)c1 |r|
COc1ccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3c(C)c(O)cc(C)c3O2)cc1 |r|
C\C(CC\C=C(/C)C(=O)NCC1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)C(=O)N1CCCCC1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
CCCCCC1=CC(=O)C=C(OC)C1=O |t:5,9|
CCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:11,15|
CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:13,17|
CCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:15,19|
CCCCCc1cc(O)cc(OC)c1O
CCCCCCCCCCCc1cc(O)cc(OC)c1O
CCCCCCCCCCCCCc1cc(O)cc(OC)c1O
CCCCCCCCCCCCCCCc1cc(O)cc(OC)c1O
CCCCCc1cccc(OC)c1O
COc1cc(O)cc(Br)c1O
COC1=CC(=O)C=C(Br)C1=O |t:2,6|
CCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O
CCCCCCCCCCCCCc1cc(OC(C)=O)cc(OC)c1OC(C)=O
COC1=CC(=O)C=C(Br)C1OC(C)=O |t:2,6|
CCCCCC1=CC(=O)C=C(OC)C1=N |t:5,9|
Cc1ccc(cc1)C(=O)CC1CC(=O)N(C1=O)c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(CC(=O)c2ccc(Cl)cc2)C1=O
COc1ccc(cc1)C(=O)CC1CC(=O)N(C1=O)c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(CC(=O)c2ccccc2)C1=O
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(CC(=O)c2ccccn2)C1=O
CC(=O)C(C)(C)C1CC(=O)N(C1=O)c1ccccc1
CC(=O)CC1CC(=O)N(C1=O)c1ccccc1
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(C2CCCCCC2=O)C1=O
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(C2CCCCC2=O)C1=O
O=C1CCCC1C1CC(=O)N(C1=O)c1ccccc1
O=C1CC(C2CCCCCC2=O)C(=O)N1c1ccccc1
O=C1CC(C2COCCC2=O)C(=O)N1c1ccccc1
CC1CCC(=O)C(C1)C1CC(=O)N(Cc2ccccc2)C1=O
CC1CCC(=O)C(C1)C1CC(=O)N(C1=O)c1ccccc1
Brc1ccc(cc1)N1C(=O)CC(C2CCCCC2=O)C1=O
O=C1CC(C2CCCCC2=O)C(=O)N1Cc1ccccc1
O=C1CC(C2CCCCC2=O)C(=O)N1c1ccccc1
CC(C#Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cncc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1ccc(o1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cc(ccc1C)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
NC(=O)N(O)CC#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F
C[C@@H](C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O |r|
CCC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CCCC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C)C(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C)CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCc1c[nH]c2ccccc12)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCc1ccc(F)cc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1cccc(F)c1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1ccccc1OC(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCc1ccc(Cl)cc1Cl)N(O)C(N)=O
COc1ccc(CNC(=O)c2cccc(c2)C#CC(C)N(O)C(N)=O)c(c1)C(F)(F)F
CC(C#Cc1cccc(c1)C(=O)NCc1ccc(F)cc1C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccccc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(F)cc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O
CC(C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(Cl)cc1)N(O)C(N)=O
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(cc1)S(N)(=O)=O)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCCN(c1ccccc1)c1ccccc1)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r|
C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@H](c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F)N(O)C(N)=O |r|
COc1ccc2[nH]cc(CCc3nn(CC4CCC4)c(=O)o3)c2c1
COc1ccc2[nH]cc(CCc3nn(CC4CCCC4)c(=O)o3)c2c1
CNc1nnc(CCc2c[nH]c3ccc(OC)cc23)o1
COc1ccc2[nH]cc(\C=C\c3n[nH]c(=O)o3)c2c1
COc1ccc2CCC=C(\C=C\c3n[nH]c(=O)o3)c2c1 |t:8|
FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1
Brc1ccc(CSc2nccn2-c2ccccc2)cc1
CCc1ccc(CSc2nccn2-c2ccccc2)cc1
CC(CCCC(C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCCC(C)C(O)=O |r|
CC(CCCC(C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCCC(C)C(O)=O |r|
C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C\C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
C\C(CC\C=C\C(O)=O)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Cc1cc(O)cc2CC[C@@](C)(CC\C=C\C(O)=O)Oc12 |r|
C\C(=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(O)=O |r|
CC(CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1)C(O)=O |r|
CC(CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(O)=O |r|
COc1cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)CCCC(C)C(O)=O)CCc2c1 |r|
COC(=O)C(C)CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
COC(=O)C(C)CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(OC)cc(C)c2O1 |r|
CN(C)Cc1c(O)cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc12 |r|
CN(C)Cc1c(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc2c(CN(C)C)c1O |r|
COC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(O1)c(C)cc(O)c2C(=O)OC |r|
CC(CCCC(C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCCC(CO)CO |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]-c1cc(-[#8])cc2-[#6]-[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])[#8]-c12 |r|
[#6]\[#6](-[#6]-[#6]-[#6](-[#8])C([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8]-[#6]-[#6](-[#7])=O)cc(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6]=O)c(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#8]1)c(-[#6])cc(-[#8])c2-[#6]=O |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]-[#7](-[#6])-[#6]-c1c(-[#8])cc(-[#6])c2-[#8][C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#6]-[#6]-c12 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2c(-[#8])cc(-[#6])c3-[#8][C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#6]-[#6]-c23)-[#6]-[#6]-1 |r|
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2c(-[#6])c3-[#8][C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#6]-[#6]-c3c(-[#6]-[#7]-3-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-3)c2-[#8])-[#6]-[#6]-1 |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c3oc(=O)c(cc3c(-[#6])c2-[#8]1)-[#6](-[#6])=O |r|
[#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#8]1)c(-[#6])cc1oc(=O)c(cc21)-[#6](-[#6])=O |r|
[#6]-[#6]-[#8]-[#6](=O)-c1cc2c3-[#6]-[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#8]-c3c(-[#6])cc2oc1=O |r|
COc1ccc(cc1OC)C1OCC(CO1)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
COc1ccc(cc1OC)C1OCC(CO1)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(OCCCC(O)=O)cc(C)c2O1 |r|
COc1ccc(cc1OC)C1OCC(CO1)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(C)c(O)c(CO)c(C)c2O1 |r|
COc1ccc(cc1OC)C1OCC(CO1)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C=O)c(C)c2O1 |r,wU:29.30,(71.27,-21.77,;69.94,-21,;68.6,-21.78,;67.26,-21.01,;65.93,-21.79,;65.95,-23.32,;67.28,-24.09,;68.61,-23.32,;69.94,-24.09,;69.95,-25.63,;64.61,-24.1,;64.62,-25.64,;63.29,-26.41,;61.95,-25.64,;61.95,-24.1,;63.28,-23.33,;60.62,-26.42,;59.28,-25.65,;57.95,-26.42,;56.61,-25.65,;56.61,-24.12,;55.28,-26.43,;53.95,-25.67,;52.62,-26.44,;51.28,-25.67,;51.28,-24.13,;49.95,-26.45,;48.61,-25.68,;47.28,-26.45,;45.95,-25.69,;47.27,-24.9,;45.94,-24.13,;44.59,-23.36,;43.25,-24.14,;41.92,-23.38,;41.91,-21.84,;40.59,-24.15,;39.26,-23.38,;40.59,-25.69,;39.25,-26.46,;37.92,-25.69,;41.92,-26.46,;41.92,-28,;43.26,-25.7,;44.6,-26.47,)|
CC(CCC=C(/C)CCC=C1COC(OC1)c1ccc(cc1)[N+]([O-])=O)=C/CC[C@]1(C)CCc2c(CO)c(O)cc(C)c2O1 |r|
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)c1O
Oc1c(F)c(F)cc(-c2nc(no2)-c2ccc(cc2)-c2ccsc2)c1F
CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O |r,wU:23.30,wD:20.23,TLB:14:3:7.6.8:15,10:9:4:2.1.15,13:14:4:2.1.15,THB:8:7:4:2.1.15,8:1:4:14.7.6.9,9:7:3.4.2:15,0:1:4:14.7.6.9,(54.65,-28.03,;55.05,-29.51,;54.03,-30.74,;54.03,-32.3,;55.42,-32.86,;56.42,-31.6,;55.04,-31.94,;53.73,-31.46,;53.72,-29.99,;51.45,-31.64,;49.96,-32.05,;49.58,-33.55,;50.69,-34.63,;52.17,-34.21,;52.54,-32.72,;56.43,-30.09,;57.74,-32.36,;59.06,-31.6,;59.06,-30.07,;60.38,-32.36,;61.71,-31.59,;63.04,-32.37,;64.37,-31.61,;64.38,-30.07,;63.05,-29.29,;61.71,-30.06,;65.72,-29.3,;67.05,-30.08,;67.03,-31.61,;68.36,-32.39,;69.7,-31.63,;69.7,-30.08,;68.37,-29.31,;71.03,-32.4,;71.03,-33.94,;72.37,-31.64,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(Cl)(CC(C2)c2ccccc42)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:20:25.26.24:33,28:27:19:21.22.33,31:32:19:21.22.33,THB:24:25:19:21.22.33,24:22:19:32.25.26.27,27:25:20.19.21:33,23:22:19:32.25.26.27,(49.77,-46.61,;49.78,-45.07,;51.11,-44.3,;48.45,-44.3,;47.11,-45.06,;45.78,-44.28,;45.79,-42.75,;44.46,-41.97,;43.13,-42.73,;43.12,-44.28,;41.79,-45.04,;40.46,-44.26,;40.45,-42.72,;41.79,-41.96,;39.12,-45.03,;37.8,-44.27,;37.8,-42.74,;36.49,-45.03,;35.17,-44.27,;34.17,-45.53,;32.78,-44.97,;32.77,-43.4,;33.8,-42.18,;33.4,-40.69,;32.46,-42.65,;32.47,-44.12,;33.79,-44.61,;30.19,-44.31,;28.71,-44.72,;28.32,-46.22,;29.44,-47.3,;30.92,-46.88,;31.28,-45.39,;35.18,-42.76,;47.12,-41.98,;48.45,-42.75,)|
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(F)(CC(C2)c2ccccc42)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:20:25.26.24:33,28:27:19:21.22.33,31:32:19:21.22.33,THB:24:25:19:21.22.33,24:22:19:32.25.26.27,27:25:20.19.21:33,23:22:19:32.25.26.27,(74.96,-46.38,;74.97,-44.84,;76.3,-44.08,;73.64,-44.07,;72.3,-44.83,;70.97,-44.06,;70.98,-42.52,;69.65,-41.74,;68.32,-42.51,;68.31,-44.05,;66.98,-44.81,;65.65,-44.03,;65.64,-42.5,;66.98,-41.73,;64.31,-44.8,;62.99,-44.04,;62.99,-42.52,;61.68,-44.8,;60.36,-44.04,;59.36,-45.3,;57.97,-44.75,;57.96,-43.18,;58.99,-41.95,;58.59,-40.47,;57.65,-42.43,;57.66,-43.9,;58.98,-44.38,;55.38,-44.08,;53.9,-44.49,;53.51,-45.99,;54.63,-47.08,;56.11,-46.65,;56.47,-45.16,;60.37,-42.53,;72.31,-41.75,;73.64,-42.52,)|
COc1cc(\C=C\C(=O)OCCc2ccccc2)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2cccc(F)c2)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2ccccc2F)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2cccc(c2)C(F)(F)F)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2ccccc2C(F)(F)F)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2cccc(C)c2)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2ccccc2C)cc(OC)c1O
COc1cccc(CCOC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)c1
COc1cc(\C=C\C(=O)OCCc2ccccc2OC)cc(OC)c1O
CCCOC(=O)\C=C\c1cc(OC)c(O)c(OC)c1
COc1cc(\C=C\C(=O)OCCCc2ccccc2)cc(OC)c1O
COc1cc(\C=C\C(=O)NCCc2ccccc2)cc(OC)c1O
COc1cc(CC(=O)OCCc2ccccc2)cc(OC)c1O
COc1cc(CCC(=O)OCCc2ccccc2)cc(OC)c1O
COc1cc(\C=C\C(=O)OCCc2ccccc2)cc(OC)c1OC(C)=O
COc1cc(\C=C\C(=O)CCc2ccccc2)cc(OC)c1O
COc1cc(CCC(=O)CCc2ccccc2)cc(OC)c1O
COc1cc(\C=C\COCc2ccccc2)cc(OC)c1O
COc1cc(\C=C\COCCCc2ccccc2)cc(OC)c1O
COc1cc(\C=C\c2nc(Cc3ccccc3)no2)cc(OC)c1O
COc1cc(\C=C\c2nc(CCc3ccccc3)no2)cc(OC)c1O
ClC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CCOCC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
FC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CCOCC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
FC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)C1CC1 |TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3Cc3ccc(cc3)C(O)=O)c2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
CC(C)(C)NCC(=O)N1CCc2cc(NCc3ccc(F)cc3)ccc12
CC(C)(C)CNC(=S)Nc1ccc2N(CCc3ccc(F)cc3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)-c3ccccc3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc4ccccc4c3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(CCCCO)CCc2c1
COCOc1ccc(CN2CCc3cc(NC(=S)NCC(C)(C)C)ccc23)cc1
CC(C)(C)CNC(=N)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(CCCCN)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(O)cc3)CCc2c1
Fc1ccc(CN2CCc3cc(NC(=O)NC4CCCCC4)ccc23)cc1
CC(C)(C)CNC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1
Fc1ccc(CN2CCc3cc(NC(=S)NCc4ccccc4)ccc23)cc1
Fc1ccc(CN2CCc3cc(NC(=S)Nc4ccccc4)ccc23)cc1
OC(=O)c1ccc(NC(=S)Nc2ccc3N(Cc4ccc(F)cc4)CCc3c2)cc1
CC(C)(C)CNC(=S)Nc1ccc2N(CCc2c1)C(=O)c1ccc(F)cc1
CC(C)(C)CNC(=S)Nc1ccc2N(CCc2c1)C(=O)Cc1ccc(F)cc1
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1
CC(C)(C)CNC(=S)Nc1ccc2n(Cc3ccc(F)cc3)ccc2c1
CC(C)(C)CNC(=S)Nc1ccc2n(Cc3ccc(F)cc3)c3ccccc3c2c1
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3CCCC(O)=O)c2c1
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3CCCNC(=O)c3c(F)c(F)c(F)c(F)c3F)c2c1
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3CCCNC(N)=N)c2c1
[H][C@@]12CS[C@@]([H])([C@H](CC(C)C)NC(=O)OCc3ccccc3)N1C(=O)N(CCCNCCCN)C2=O |r|
[H][C@@]12CS[C@@]([H])([C@H](CC(C)C)NC(=O)OCc3ccccc3)N1C(=O)N(CCCNC(N)=N)C2=O |r|
Fc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc23)cc1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2cc(OC)cc(OC)c2)c1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2ccccc2)c1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2cccc(F)c2)c1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2ccc(F)cc2)c1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2cccc(Cl)c2)c1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2ccc(Cl)cc2)c1
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2ccc(C)cc2)c1
COc1ccc(cc1)-c1cc2c(ccc3c(\C=C\c4cc(OC)cc(OC)c4)cc(=O)oc23)o1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)Nc1cccc(CN(C)Cc2ccccc2)c1
S=c1[nH]nc(o1)-c1ccc2[nH]c(nc2c1)-c1ccc(OCc2ccccc2)cc1
S=c1[nH]nc(o1)-c1ccc2[nH]c(nc2c1)-c1ccc(Oc2ccccc2)cc1
CC(c1nc2cc(ccc2[nH]1)-c1n[nH]c(=S)o1)c1ccc(Oc2ccccc2)cc1
FC(F)(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
FC(F)c1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
Cc1ccc(N\N=C2\C(N)=NN(C2=N)c2ccc(cc2)S(N)(=O)=O)cc1 |c:9|
NC1=NN(C(=N)\C1=N/Nc1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |t:1|
[O-][N+](=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3)c(nc2c1)N1C(=O)c2ccccc2C1=O
OC(=O)c1ccc(CSc2nc3cc(F)c(Oc4ccc(F)cc4)cc3[nH]2)cc1
COc1cc(\C=C\C(=O)CCCCc2ccccc2)ccc1O
COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O
COc1cc(ccc1[O-])C(=O)[N-]S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
COc1cc(\C=C\C(=O)[N-]S(=O)(=O)c2ccc(cc2)-n2nc(cc2-c2ccc(C)cc2)C(F)(F)F)ccc1[O-]
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)[N-]C(=O)c1ccccc1)C(F)(F)F
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)[N-]C(=O)CCCCC1CCSS1)C(F)(F)F
CC(C)Cc1ccc(cc1)C(C)C(=O)[N-]S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
CCOC(=O)[N-]S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
COc1ccc(cc1OC)-c1nc(-c2cn(C)c3ccccc23)c(s1)C(=O)c1ccc(cc1)C#N
Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)cc1
Nc1nc(cs1)-c1ccc(F)cc1
Clc1ccc(cc1)-c1csc(NC(=O)CN2CCOCC2)c1C#N
[O-][N+](=O)c1ccc(cc1)-c1nc(sc1C(=O)c1cccc2ccccc12)N(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C1=CS\C(=N/C(=O)c2cccc3ccccc23)C1c1ccccc1 |t:10|
Cc1c(O)c2cc(Cl)ccc2nc1C(=O)N1CCN(CC1)c1ccccc1
COc1cccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)c1
COc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1OC
COc1cc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc(OC)c1OC
NC1=NN(C(=N)\C1=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1C(O)=O |t:1|
NC1=NN(C(=N)\C1=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)C(O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1C(O)=O |t:1|
CC1=NN(C(=O)\C1=N\Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:1|
Clc1ccc(\C=C2/N=C(N(C2=O)c2ccc(cc2)-c2nc3ccccc3o2)c2ccccc2)cc1 |c:7|
Oc1ccc(O)c(\C=N\c2ccc(O)c(c2)C(=O)NC2CCCCC2)c1
CCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
CC(C)NC(=O)c1cc(N)ccc1O
COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O
CC1CCC2(C)C(CCC=C2C)C1(C)CC\C(CO)=C/C(O)=O |c:9|
CC1CCC2(C)C(CCCC2=C)C1(C)CCC1=CC(=O)OC1O |t:18|
CC1CCC2(C)C(CCC=C2C)C1(C)CCC1=CC(=O)OC1O |c:9,t:18|
CC1CCC2(C)C(CCC(O)C2=C)C1(C)CCC1=CC(=O)OC1O |t:19|
CCC[C@H](O)CCOC(=O)CC[C@]1(C)C=CC[C@@H](C)[C@]11OC(C)(CC)C=C1 |r,c:14,26|
CC[C@H](CO)[C@@](C)(O)C\C=C\C(C)(C)OC(=O)C[C@]1(C)C=CC[C@@H](C)[C@]11OC(C)(CC)C=C1 |r,c:20,32|
[H][C@@]12C=CC[C@@H](CCOC(=O)CCCC)[C@]1([H])C(=O)O[C@@]2(C)CO |r,c:2|
O=C(c1cccs1)c1sc(nc1-c1ccccc1)N1CCOCC1
Fc1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N1CCOCC1
FC(F)(F)c1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N1CCOCC1
O=C(c1cccs1)c1sc(nc1-c1ccc(cc1)C#N)N1CCOCC1
Cc1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N1CCOCC1
[O-][N+](=O)c1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N1CCOCC1
O=C(c1cccs1)c1sc(nc1-c1ccccc1)N(c1ccccc1)c1ccccc1
Fc1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N(c1ccccc1)c1ccccc1
FC(F)(F)c1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N(c1ccccc1)c1ccccc1
O=C(c1cccs1)c1sc(nc1-c1ccc(cc1)C#N)N(c1ccccc1)c1ccccc1
Cc1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nc(sc1C(=O)c1cccs1)N(c1ccccc1)c1ccccc1
Fc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)c1cccs1
O=C(\N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1cccs1
Fc1ccc(cc1)-c1cs\c(=N/C(=O)c2cccs2)n1-c1ccccc1
FC(F)(F)c1ccc(cc1)-c1cs\c(=N/C(=O)c2cccs2)n1-c1ccccc1
O=C(\N=c1/scc(-c2ccc(cc2)C#N)n1-c1ccccc1)c1cccs1
Cc1ccc(cc1)-c1cs\c(=N/C(=O)c2cccs2)n1-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1cs\c(=N/C(=O)c2cccs2)n1-c1ccccc1
O=c1[nH]n2c(nc3ccccc3c2=O)\c1=C\c1ccccc1
Fc1ccccc1\C=c1\c2nc3ccccc3c(=O)n2[nH]c1=O
Fc1cccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)c1
Fc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1
COc1ccccc1\C=c1\c2nc3ccccc3c(=O)n2[nH]c1=O
COc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1
Clc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1
Brc1ccc(\C=c2\c3nc4ccccc4c(=O)n3[nH]c2=O)cc1
O[C@H]1O[C@@](O)(CNC2=C(C#N)C(c3ccc(Cl)cc3)c3c(O2)[nH]c(=S)[nH]c3=O)[C@H](O)[C@H](O)[C@@H]1O |r,c:7|
Clc1ccc(cc1)C1c2c(Oc3ncn(-c4ccccc4)c(=N)c13)[nH]c(=S)[nH]c2=O
OC(c1ccccc1)c1cccc(OCc2ccc3ccccc3n2)c1
OC(=O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)[C@H](C1CCCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1 |r|
CC1(C)Cc2c(c(-c3ccc(Cl)s3)c(CC(O)=O)n2C1)-c1ccccc1
CC1(C)Cc2c(c(-c3ccsc3)c(CC(O)=O)n2C1)-c1ccccc1
CC1(C)Cc2c(c(-c3ccco3)c(CC(O)=O)n2C1)-c1ccccc1
CS(=O)(=O)Nc1ccc(cc1)-c1cn2CCCc2c1-c1ccccc1
CC1(C)Cn2c(CC(O)=O)c(c(c2C1=O)-c1ccccc1)-c1ccc(Cl)cc1
Cc1c(c(c2C(=O)C(C)(C)Cn12)-c1ccccc1)-c1ccc(Cl)cc1
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1occ2ccccc12)-c1ccccc1 |(12.77,-20.04,;13.55,-21.39,;12.06,-21.78,;14.79,-20.48,;16.04,-21.39,;17.58,-21.39,;18.06,-22.86,;16.81,-23.76,;16.8,-25.3,;15.47,-26.07,;14.14,-25.3,;15.47,-27.61,;15.56,-22.85,;14.02,-22.85,;19.52,-23.34,;19.99,-24.8,;21.53,-24.79,;22.01,-23.34,;23.42,-22.71,;23.59,-21.18,;22.34,-20.27,;20.93,-20.9,;20.77,-22.43,;18.49,-20.15,;20.02,-20.32,;20.93,-19.08,;20.31,-17.67,;18.77,-17.51,;17.86,-18.75,)|
CS(=O)(=O)c1ccc(cc1)-c1cn2CCCc2c1-c1ccccc1
COC1c2c(c(c(CC(O)=O)n2CC1(C)C)-c1ccc(Cl)cc1)-c1ccccc1
COC1c2c(c(c(C)n2CC1(C)C)-c1ccc(Cl)cc1)-c1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(cc1)-c1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Cc2ccccc2)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(CCc2ccccc2)cc1
Nc1ccc(cc1)-c1c(\C=C\C(O)=O)n2CCCc2c1-c1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Nc2ccccc2)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Nc2ccc(Cl)cc2)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Nc2cccc(c2)C(F)(F)F)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Sc2ccccc2)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(cc1)[S+]([O-])c1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(SCc2ccccc2)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(cc1)[S+]([O-])Cc1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)Cc1ccccc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccc(O)cc1
OC(=O)\C=C\c1c(c(c2CCCn12)-c1ccccc1)-c1ccccc1
C1Cc2c(c(cn2C1)-c1cccs1)-c1ccccc1
Brc1ccc(s1)-c1cn2CCCc2c1-c1ccccc1
C1Cc2c(c(cn2C1)-c1ccco1)-c1ccccc1
CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1ccc3N(Cc4ccc(F)cc4)CCc3c1)C(=O)C2 |r|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)NC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 |r,TLB:13:10:5:2.8.1,THB:11:1:5:10.12.9,11:10:5:2.8.1,9:6:2:11.10.12,9:10:2:5.6.8|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(CCCC(=O)OC)ccc4c1)(C2)C3 |r,TLB:8:1:33:9.6.5,8:6:2.1.32:33,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:32.10.33|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(Cc5ccc(cc5)C(O)=O)ccc4c1)(C2)C3 |r,TLB:8:1:36:9.6.5,8:6:2.1.35:36,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:35.10.36|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(CCCC(O)=O)ccc4c1)(C2)C3 |r,TLB:8:1:32:9.6.5,8:6:2.1.31:32,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:31.10.32|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(Cc5ccc(CN)cc5)ccc4c1)(C2)C3 |r,TLB:8:1:35:9.6.5,8:6:2.1.34:35,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:34.10.35|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)C(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 |r,TLB:8:6:12:2.1.11,8:1:12:6.9.5,5:3:6.9.8:11,THB:5:6:12.3.2:11|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4N(Cc5ccc(F)cc5)CCc4c1)(C2)C3 |r,TLB:11:10:2.1.8:5,8:1:34:6.9.5,8:6:34:2.1.33,THB:33:1:9.10.34:5,33:10:2.1.8:5|
Fc1ccc(CN2CCc3cc(NC(=O)NCc4cccc5ccccc45)ccc23)cc1
CN1CCCN(CCNC(=O)Nc2ccc3N(Cc4ccc(F)cc4)CCc3c2)CC1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=S)Nc1ccc4N(Cc5ccc(F)cc5)CCc4c1)(C2)C3 |r,TLB:5:3:33:6.9.8,THB:2:1:9:3.34.5,2:3:9:33.1.8,5:6:33:2.3.34|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4N(Cc5ccc(cc5)C(O)=O)CCc4c1)(C2)C3 |r,TLB:5:3:35:6.9.8,THB:5:6:35:2.3.36,2:1:9:3.36.5,2:3:9:35.1.8|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(Cc5ccc(F)cc5)ccc4c1)(C2)C3 |r,TLB:5:3:33:6.9.8,THB:2:1:9:3.34.5,2:3:9:33.1.8,5:6:33:2.3.34|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(Cc5ccc(cc5)C(C)C)ccc4c1)(C2)C3 |r,TLB:36:10:8:3.5.2,THB:36:3:8:35.10.9,2:1:9:36.3.5,2:3:8.1.35:9,11:10:8:3.5.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(Cc5ccc(cc5)C(=O)OC)ccc4c1)(C2)C3 |r,TLB:37:10:8:3.5.2,THB:37:3:8:36.10.9,2:1:9:37.3.5,2:3:8.1.36:9,11:10:8:3.5.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(CCc5ccc(F)cc5)ccc4c1)(C2)C3 |r,TLB:35:10:8:3.5.2,THB:35:3:8:34.10.9,2:1:9:35.3.5,2:3:8.1.34:9,11:10:8:3.5.2|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)NC(=O)Nc1ccc2n(Cc3ccc(F)cc3)ccc2c1 |r,TLB:8:1:12:6.9.5,8:6:12:1.2.11,THB:11:10:1.2.8:5,11:1:10.12.9:5|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(ccc4c1)C(=O)c1ccc(F)cc1)(C2)C3 |r,TLB:8:1:35:9.6.5,8:6:2.1.34:35,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:34.10.35|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4N(CCCN)CCc4c1)(C2)C3 |r,TLB:8:1:30:9.6.5,8:6:2.1.29:30,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:29.10.30|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(ccc4c1)-c1ccc(F)cc1)(C2)C3 |r,TLB:8:1:33:9.6.5,8:6:2.1.32:33,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:32.10.33|
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)Nc1ccc4n(Cc5ccc(F)cc5)c5ccccc5c4c1)(C2)C3 |r,TLB:8:1:38:9.6.5,8:6:2.1.37:38,11:10:2:6.5.8,THB:9:10:2:6.5.8,9:6:2:37.10.38|
Oc1ccc(cc1O)-c1ccccc1
Oc1ccc(cc1O)-c1ccc(Cl)cc1
Oc1ccc(cc1O)-c1cccc(Cl)c1
Oc1ccc(cc1)-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1ccc2OCCOc2c1
Oc1ccc(cc1O)-c1cc2ccccc2o1
Oc1ccc(cc1O)-c1ccc2ccccc2c1
CCOc1ccc2ccccc2c1-c1ccc(O)c(O)c1
Oc1ccc(cc1O)-c1cccc2SC3C=CC=CC3Sc12 |c:16,18|
Oc1ccc(cc1O)-c1c2ccccc2cc2ccccc12
Oc1ccc(cc1O)-c1cccc2c1sc1ccccc21
Oc1ccc(cc1O)-c1cccc2c1oc1ccccc21
[H][C@]12CCC=C(C)[C@]1(C)CC[C@@](C)(CC1=C(O)C(=O)C=C(OC)C1=O)[C@H]2C |r,c:15,t:4,20|
Oc1cc(O)c(O)c(CC2CCC3CCCCC3C2)c1O
Clc1cccc(Cl)c1N1C(=O)C(Cc2ccc[nH]2)c2ccccc12
Clc1cccc(Cl)c1N1C(=O)C(Cc2c[nH]c3ccccc23)c2ccccc12
Clc1cccc(Cl)c1N1C(=O)C(Cc2cccn2Cc2ccccc2)c2ccccc12
OC1C(Cc2cccn2CC#C)c2ccccc2N1c1c(Cl)cccc1Cl
Clc1cccc(Cl)c1N1C(=O)C(Cc2cccn2CC=C)c2ccccc12
CCOC(=O)Cn1cccc1CC1C(O)N(c2ccccc12)c1c(Cl)cccc1Cl
Oc1c(Cc2cn(Cc3ccccc3)c3ccccc23)c2ccccc2n1-c1c(Cl)cccc1Cl |(.05,-4.18,;.82,-2.85,;.21,-1.41,;-1.33,-1.1,;-1.8,.38,;-.87,1.62,;-1.8,2.85,;-1.33,4.34,;.21,4.64,;1.23,3.52,;2.72,3.82,;3.18,5.26,;2.16,6.44,;.67,6.08,;-3.23,2.39,;-4.57,3.16,;-5.9,2.39,;-5.9,.85,;-4.57,.08,;-3.23,.85,;1.33,-.39,;1.33,1.15,;2.67,1.92,;4,1.15,;4,-.39,;2.67,-1.15,;2.36,-2.64,;3.39,-3.82,;2.93,-5.26,;1.39,-5.62,;3.95,-6.44,;5.44,-6.08,;5.9,-4.65,;4.88,-3.52,;5.39,-2.03,)|
Oc1c(Cc2cn(CC#C)c3ccccc23)c2ccccc2n1-c1c(Cl)cccc1Cl |(.99,-.69,;-.54,-.85,;-1.57,.29,;-1.25,1.8,;.21,2.27,;1.46,1.37,;2.7,2.27,;4.17,1.8,;4.49,.29,;4.81,-1.21,;2.23,3.74,;3,5.07,;2.23,6.41,;.69,6.41,;-.08,5.07,;.69,3.74,;-2.98,-.33,;-4.39,.29,;-5.63,-.61,;-5.47,-2.14,;-4.06,-2.77,;-2.82,-1.87,;-1.31,-2.19,;-.69,-3.59,;-1.59,-4.84,;-3.12,-4.68,;-.96,-6.25,;.57,-6.41,;1.47,-5.16,;.85,-3.75,;1.75,-2.51,)|
Oc1c(Cc2cn(CC=C)c3ccccc23)c2ccccc2n1-c1c(Cl)cccc1Cl |(1.15,-.69,;-.38,-.85,;-1.41,.29,;-1.09,1.8,;.37,2.27,;1.62,1.37,;2.86,2.27,;4.33,1.8,;5.47,2.83,;5.15,4.34,;2.39,3.74,;3.16,5.07,;2.39,6.41,;.85,6.41,;.08,5.07,;.85,3.74,;-2.82,-.33,;-4.23,.29,;-5.47,-.61,;-5.31,-2.14,;-3.9,-2.77,;-2.66,-1.87,;-1.15,-2.19,;-.53,-3.59,;-1.43,-4.84,;-2.96,-4.68,;-.8,-6.25,;.73,-6.41,;1.63,-5.16,;1.01,-3.75,;1.91,-2.51,)|
CCOC(=O)Cn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc12 |(7.51,2.91,;6.04,3.38,;4.9,2.35,;3.44,2.83,;3.12,4.34,;2.29,1.8,;.83,2.27,;-.42,1.37,;-1.67,2.27,;-3.13,1.8,;-3.45,.29,;-2.42,-.85,;-.89,-.69,;-3.19,-2.19,;-2.56,-3.59,;-3.47,-4.84,;-5,-4.68,;-2.84,-6.25,;-1.31,-6.41,;-.41,-5.16,;-1.03,-3.75,;-.13,-2.51,;-4.7,-1.87,;-5.94,-2.77,;-7.35,-2.14,;-7.51,-.61,;-6.26,.29,;-4.86,-.33,;-1.19,3.74,;-1.96,5.07,;-1.19,6.41,;.35,6.41,;1.12,5.07,;.35,3.74,)|
OC(=O)Cn1cccc1Cc1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12 |(1.67,7.04,;2.44,5.71,;3.98,5.71,;1.67,4.37,;2.44,3.04,;3.98,2.88,;4.3,1.37,;2.96,.6,;1.82,1.63,;.31,1.31,;-.16,-.15,;.74,-1.4,;2.28,-1.4,;-.16,-2.65,;.31,-4.11,;-.72,-5.25,;-2.22,-4.93,;-.24,-6.72,;1.26,-7.04,;2.29,-5.89,;1.82,-4.43,;2.85,-3.29,;-1.63,-2.17,;-2.96,-2.94,;-4.3,-2.17,;-4.3,-.63,;-2.96,.14,;-1.63,-.63,)|
OC(=O)Cn1cc(Cc2c(O)n(-c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc12 |(6.33,1.7,;4.92,2.32,;4.76,3.85,;3.67,1.42,;2.27,2.04,;.93,1.27,;-.21,2.3,;-1.72,1.99,;-2.19,.52,;-1.29,-.72,;.25,-.72,;-2.19,-1.97,;-1.72,-3.44,;-2.75,-4.58,;-4.25,-4.26,;-2.27,-6.04,;-.77,-6.37,;.26,-5.22,;-.21,-3.76,;.82,-2.61,;-3.66,-1.49,;-4.99,-2.26,;-6.33,-1.49,;-6.33,.04,;-4.99,.81,;-3.66,.04,;.41,3.71,;-.21,5.12,;.69,6.37,;2.22,6.2,;2.85,4.8,;1.95,3.55,)|
COc1cc(CC2C(=O)N(c3ccccc23)c2c(Cl)cccc2Cl)cc(OC)c1OC
[H][C@@]1(OC(=O)c2c(O)c(C)ccc2[C@@H]1O)[C@H](C)Cc1coc(n1)C(=C)C\C=C/C=C\CC\C=C\CN(C)C(=O)\C=C(/C)OC |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@H](C)Cc1coc(n1)C(=C)C\C=C/C=C\CC\C=C\CN(C)C(=O)\C=C(/C)OC |r|
CO\C(C)=C\C(=O)N(C)C\C=C\CC\C=C/C=C\CC(=C)c1ncco1
[H][C@@]1(OC(=O)c2c(O)c(C)ccc2[C@@H]1O)[C@H](C)Cc1coc(n1)[C@H](C)C\C=C/C=C\CC\C=C\CN(C)C(=O)\C=C(/C)OC |r|
CC(=O)N1CCN(c2ccc(NCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
COc1ccc(C2=C/C(=C/c3ccc(O)cc3O)C(=O)O2)cc1
Oc1ccc(CCC2CCC(c3ccc(O)cc3)CO2)cc1
COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1
Cc1ccc(C(C)C)c(O)c1/C=N/N=C1NC(=O)C(CC(=O)O)S1
COc1ccc(N2C(=O)C(CC(=O)O)S/C2=N/N=C/c2c(C)ccc(C(C)C)c2O)cc1
Cc1ccc(C(C)C)c(O)c1/C=N/N=C1/SC(CC(=O)O)C(=O)N1c1cccc2ccccc12
O=C1c2ccccc2C(=O)N1c1nc2cc([N+](=O)[O-])ccc2n1Cc1cccc(-c2ccccc2)c1