803 SMILES Strings for M-phase inducer phosphatase 2

Compound Name
SMILES String
Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|
O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|
COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
COc1ccc(cc1OC)C1=NCC(=O)N(CC(=O)NCc2ccco2)c2sc3CCCCc3c12 |t:11|
Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
CCOC(=O)C(CC)n1cnc2sc3CCCc3c2c1=O
O=C(Nc1cccc(NC(=O)N2CCN(CC2)c2ccccc2)c1)N1CCN(CC1)c1ccccc1
Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
COc1ccc(Cn2nnnc2C(N2CCOCC2)c2cc3cccc(C)c3[nH]c2=O)cc1
COc1cccc2c(C)c([nH]c12)C(O)=O
CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Oc1ccc(cc1)C(=O)OCCCN1CCCCC1
COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)no1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
CC(C)(C)c1cc(C(O)=O)c(CN2CCCCC2)o1
OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
CCCCOc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC
CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C1CC1
COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1
OCCC1S\C(N(C1=O)c1ccccc1)=C(/C#N)C(=O)NCc1ccccc1
CN(C)CCN1C(C(C(=O)c2c(C)nc3c(C)cccn23)C(=O)C1=O)c1ccncc1
Cc1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccco2)c(C)c1
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
OC12CCCCC1SC1=C(C#N)C3(CCCCC3)C(C#N)C(=N)N21 |c:9|
O=C(Cn1nnc(n1)-c1ccccc1)OCc1ccccc1
CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1
O=C(Nc1ccccn1)c1ccc2ccccc2n1
CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12
[O-]\[N+](=C/c1ccncc1)c1ccccc1
Oc1cc(N2CCN(CCc3ccccn3)CC2)c(O)n1-c1ccc(Cl)cc1
O=S(=O)(NCCc1ccccn1)\C=C\c1ccccc1
O=C(NC1=NCCS1)c1ccc(OCC2CCCO2)cc1 |t:3|
O=C(Nc1ccccc1)c1cccnc1N1CCOCC1
CCN(CC)C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1C
COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
O=C(N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1)c1ccco1
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Oc1ccc2oc3c(CCCNC3=O)c2c1
Cc1onc(c1C(=O)Nc1ccc(cc1)-n1nncc1C(C)(C)C)-c1ccccc1Cl
COc1ccc(cc1)C(CC(=O)N1CCC2(CC1)OCCO2)NS(=O)(=O)c1ccc(F)cc1
Cn1c(CSc2nnc(SCc3ccccc3)s2)nc2ccccc12
CCOc1cc(ccc1O)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
O=C1CCn2cnc3cccc4ccc1c2c34
COc1nc(OCC(=N)NO)nc(n1)N1CCOCC1
O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1
c1cc2cnccc2c(c1)N
COc1ccc(CN2CC(CC2=O)C(=O)NCCCN2CCOCC2)cc1
CCOC(=O)CSc1nnnn1-c1cc(OC)c(Cl)cc1OC
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|
Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
CCn1c2ccccc2c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c1=O
Cn1ncnc2c1nc(=O)n(C)c2=O
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
COc1cc(OC)cc(c1)-n1nc(C(=O)NCCCN2CCOCC2)c2ccccc2c1=O
CC(C)CCNC(=O)C1CCN(CC1)c1nc2ccccc2o1
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
CCOC(=O)N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1
CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Cc1nn(-c2ccccc2)c2sc(cc12)C(O)=O
[H]C12CCC([H])(CC(C1)OC(=O)CCN1CCCC1)N2C
CCC(=O)NC1(C(=O)Nc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F
Cc1nc2c(Cl)cccc2c(O)c1CN1CCCC1
O=C(COc1ccccc1)N1CCN(CC1)S(=O)(=O)c1cccs1
O=C1CC(NCc2ccco2)C(=O)N1CCc1ccccc1
O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
OC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O
Cc1ccc(CN2CCN(CC(=O)N3CCC(CC3)C(N)=O)C2=O)cc1
CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NCc1ccco1
CCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(CC2)C(C)=O)cc1
CC(Nc1ncnc2nc[nH]c12)c1ccccc1
Cc1cc2c(N)cccc2nn1
Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C |(9.99,-2.67,;11.14,-1.64,;10.98,-.11,;9.64,.66,;8.1,.66,;7.2,1.9,;7.68,3.37,;5.75,1.43,;4.41,2.2,;3.08,1.43,;3.08,-.11,;4.41,-.88,;5.75,-.11,;7.2,-.58,;7.68,-2.04,;12.38,.52,;12.7,2.03,;13.41,-.63,;14.95,-.46,;15.57,.94,;17.1,1.1,;18.01,-.14,;17.38,-1.55,;15.85,-1.71,;12.64,-1.96,;13.27,-3.37,)|
COc1ccc2noc3-c4ccccc4C(=O)c1c23
CCOc1ccc2noc3-c4ccccc4C(=O)c1c23
Oc1ccc2OC(=O)CC(c3ccccc3)c2c1
[O-]\[N+](=C/c1ccc(OC(F)F)cc1)c1ccccc1
COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1 |c:4,t:7|
COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1
O=C1C=Cc2ccccc2C1=O |c:2|
CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2n(C)c(=O)n(C)c(=O)c12
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
[O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12
Cc1cc(C)n2c(SCC(=O)N3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)nnc2n1
Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1
Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)nc2c3ccccc3oc(=O)c12
Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
CCOc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCC1=CCCCC1 |t:19|
COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
CCCSc1nnc(NC(=O)c2sc3nc(ccc3c2N)-c2cccs2)s1
OC1C(Sc2ccccc2NC1=O)c1ccccc1
FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Cc1ccc(C)n1-c1cccc(c1)C(O)=O
O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
CCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=C[C@H]2CCCCCCCCCCCC |r,c:29|
CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=CC2CCCCCCCCCCCC |r,c:30|
CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17|
CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14C=O)O[C@]3(C)OC2=O |r,c:13|
CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14CO)O[C@]3(C)OC2=O |r,c:13|
Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F
CCC(C)(C)C(=O)N[C@@H](C1CCCC1)C(=O)OCCCc1cccnc1 |r|
O=C(NCCCc1ccccc1)[C@@H](NC(=O)c1cccc2ccccc12)C1CCCC1 |r|
O=C(NCCCc1ccccc1)[C@@H](NC(=O)c1cccc2ccccc12)C1CCCCC1 |r|
O=C(NCCCc1ccccc1)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 |r,TLB:25:16:23:19.20.21,14:16:19:23.22.21,14:16:23:19.20.21,THB:25:20:23:24.17.16,24:22:19:25.17.16,24:16:19:23.22.21|
Clc1ccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCCCc2ccccc2)cc1 |r|
Clc1ccc(C[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)NCCCc2ccccc2)cc1 |r|
Clc1ccc(C[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)C(=O)NCCCc2ccccc2)cc1 |r,wU:6.6,TLB:8:10:12:14.15.16,THB:17:18:12:14.15.16,17:15:12:18.19.10,10:18:14:12.11.16,10:11:14:18.17.19,(1.49,5.56,;.72,4.22,;1.49,2.89,;.72,1.55,;-.82,1.55,;-1.59,.22,;-1.59,-1.32,;-2.92,-2.09,;-4.25,-1.32,;-4.25,.22,;-5.59,-2.09,;-6.92,-1.32,;-8.25,-2.09,;-8.25,-3.63,;-9.08,-5.53,;-7.69,-4.89,;-7.67,-2.49,;-6.48,-5.56,;-5.59,-3.63,;-6.92,-4.4,;-.25,-2.09,;-.25,-3.63,;1.08,-1.32,;2.41,-2.09,;3.75,-1.32,;5.08,-2.09,;6.42,-1.32,;7.75,-2.09,;9.08,-1.32,;9.08,.22,;7.75,.99,;6.42,.22,;-1.59,2.89,;-.82,4.22,)|
Clc1ccc(C[C@H](NC(=O)c2cnc3ccccc3c2)C(=O)NCCCc2ccccc2)cc1 |r|
Fc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 |r|
Clc1ccc(C[C@H](NC(=O)c2ccc3cn[nH]c3c2)C(=O)NCCCc2ccccc2)cc1 |r|
COc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 |r|
Cn1c(cc2ccccc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 |r|
Fc1ccc(C[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)NCCCc2ccccc2)cc1 |r|
Clc1ccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)NCCCc2ccccc2)cc1 |r|
Clc1ccc(CC(NC(=O)c2ccc3ccccc3c2)C(=O)NCCCc2ccncc2)cc1
Fc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1cccnc1 |r|
Clc1ccc(C[C@H](NC(=O)c2ccc3c(n[nH]c3c2)-c2ccccc2)C(=O)NCCCc2ccccc2)cc1 |r|
Fc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 |r|
Clc1ccc(C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C(=O)NCCCc2ccccc2)cc1 |r|
Clc1ccc(C[C@H](NC(=O)c2nc3ccccc3[nH]2)C(=O)NCCCc2ccccc2)cc1 |r|
Fc1ccc2cc(ccc2c1)C(=O)N[C@H](C(=O)NCCCc1ccccc1)c1ccccc1 |r|
Cn1c(\C=C\c2ccc(Cl)cc2)nc2ccccc12
CCn1c(\C=C\c2ccc(Cl)cc2)nc2ccccc12
CN(C)c1ccc(\C=C\c2nc3ccccc3n2C)cc1
Fc1ccccc1Cn1c(\C=C\c2ccccc2)nc2ccccc12
C(c1ccccc1)n1c(\C=C\c2ccccc2)nc2ccccc12
CCCn1c(\C=C\c2ccccc2)nc2ccccc12
Clc1ccccc1Cn1c(\C=C\c2ccccc2)nc2ccccc12
Cc1ccc(Cn2c(\C=C\c3ccc(F)cc3)nc3ccccc23)cc1
Clc1ccc(\C=C\c2nc3ccccc3n2Cc2ccccc2)cc1
CCCCn1c(\C=C\c2ccccc2)nc2ccccc12
CC(C)Cn1c(\C=C\c2ccccc2)nc2ccccc12
CCCCn1c(\C=C\c2ccc(F)cc2)nc2ccccc12
CC(C)CCn1c(\C=C\c2ccc(Cl)cc2)nc2ccccc12
CC(C)CCn1c(\C=C\c2ccc(F)cc2)nc2ccccc12
C=CCn1c(\C=C\c2ccccc2)nc2ccccc12
Cn1c(\N=N\c2ccc(O)cc2)nc2ccccc12
CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C
Cn1c(\N=N\c2cccc3ccccc23)nc2ccccc12
COc1ccc2ccccc2c1\N=N\c1nc2ccccc2n1C
COc1ccc(\N=N\c2nc3ccccc3n2C)c2ccccc12
Cn1c(\N=N\c2c(O)ccc3ccccc23)nc2ccccc12
CCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(Cl)cc1
O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccc2ccccc2c1
[O-][W](=O)(=O)[O-]
C[C@H]1CC=C2[C@@](C)(CCCC(C)=C)CCC[C@]2(C)[C@@]1(C)C[C@@H](O)C1=CC(=O)O[C@@H]1O |t:3,25|
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)c1cccnc1Cl
Cc1ccc(\C=C\C(=O)N2Cc3c(I)c(OCc4cccc(c4)C(F)(F)F)c(I)cc3C[C@H]2C(O)=O)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(cc3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccccc1F
OC(=O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)CCc1ccccc1
COc1cccc(COc2c(I)cc3C[C@H](N(Cc3c2I)C(=O)\C=C\c2ccc(Cl)cc2)C(O)=O)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1cccc(Br)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
OC(=O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(F)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)c(Cl)c1
OC(=O)C1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)C1CCCC1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(cc3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccc2OCOc1c2
COc1cc(\C=C\C(=O)N2Cc3c(I)c(OCc4ccc(cc4)C(F)(F)F)c(I)cc3C[C@H]2C(O)=O)cc(OC)c1OC
COc1cccc(COc2c(I)cc3C[C@H](N(Cc3c2I)C(=O)\C=C\c2ccc3OCOc2c3)C(O)=O)c1
C\C(=C/c1ccccc1)C(=O)N1Cc2c(I)c(OCc3ccc(Cl)cc3Cl)c(I)cc2C[C@H]1C(O)=O
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)c1cccnc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccccc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)cc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1cccc(F)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)\C=C\c1cccc(Br)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1ccccc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)CCc1ccccc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccc2OCOc1c2
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccccc1F
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)c(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(Br)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(cc3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1cccc(F)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccccc1C(F)(F)F
Cc1ccc(\C=C\C(=O)N2Cc3c(I)c(OCc4ccc(cc4)C(F)(F)F)c(I)cc3C[C@H]2C(O)=O)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(c1)C(F)(F)F
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1cccc(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)\C=C\c1cccc(c1)C(F)(F)F
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(c1)C(F)(F)F
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)\C=C\c1ccc(Br)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccccc1Br
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)\C=C\c1cccc(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(cc3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
COc1cccc(COc2c(I)cc3C[C@H](N(Cc3c2I)C(=O)\C=C\c2ccc(C)cc2)C(O)=O)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1cccc(c1)C(F)(F)F
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(cc3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)\C=C\c1ccccc1Cl
COc1cccc(COc2c(I)cc3C[C@H](N(Cc3c2I)C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C(O)=O)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)c(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)CCc1ccccc1
OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)C(\F)=C\c1ccccc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)\C=C\c1cccc(F)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)c1cccnc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(cc3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccccc1C(F)(F)F
OC(=O)[C@@H]1Cc2cc(I)c(OCc3cccc(c3)C(F)(F)F)c(I)c2CN1C(=O)\C=C\c1ccc2OCOc1c2
OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1ccccc1Br
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)\C=C\c1ccccc1Br
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)c1cccnc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)cc1Cl
OC(=O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)\C=C\c1cccc(F)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1ccc(Br)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)\C=C\c1ccc(Cl)c(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)CCc1ccccc1
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)C(\F)=C\c1ccccc1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)\C=C\c1cc(Cl)cc(Cl)c1
OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)C(\F)=C\c1ccccc1
Cc1ccc(\C=C\C(=O)N2Cc3c(I)c(OCc4ccc(Cl)cc4Cl)c(I)cc3C[C@H]2C(O)=O)cc1
OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)\C=C\c1ccc(Br)cc1
CCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)S(C)(=O)=O)nc1-c1ccccc1
COC(=O)c1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc3ccccc3c2)nc1-c1ccc(cc1)-c1ccccc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(cc1)C(F)(F)F
[O-][N+](=O)c1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1
COc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1OC
CCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(cc1)C(F)(F)F
O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccc(cc1)-c1ccccc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(C)cc2)nc1-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1csc(NS(=O)(=O)\C=C\c2ccccc2Cl)n1
CCCCc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)C(F)(F)F)nc1-c1ccc(cc1)-c1ccccc1
CCCCCCCCC\C=C\S(=O)(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc3ccccc3c2)nc1-c1ccc2ccccc2c1
CCCCc1ccc(\C=C\S(=O)(=O)Nc2nc(c(CCC)s2)-c2ccc(cc2)-c2ccccc2)cc1
O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccco1
CCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)nc1-c1ccccc1
Fc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1F
Clc1ccccc1\C=C\S(=O)(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1
CCc1sc(NS(=O)(=O)\C=C\c2ccc3ccccc3c2)nc1-c1ccccc1
CCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccccc1
CCCCCCCCCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccccc1
Cc1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(cc1)-c1ccccc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(C)cc2)nc1-c1ccc(cc1)C(F)(F)F
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(cc2)-c2ccccc2)nc1-c1ccc(Cl)cc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1
Cc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(C)cc2)nc1-c1ccc(cc1)-c1ccccc1
Cc1sc(NS(=O)(=O)\C=C\c2ccccc2Cl)nc1-c1ccc(Cl)cc1
O=S(=O)(Nc1nc(c(s1)-c1ccccc1)-c1ccccc1)\C=C\c1ccc(cc1)C#N
CCCc1sc(NS(=O)(=O)\C=C\c2ccc(F)c(F)c2)nc1-c1ccc(cc1)-c1ccccc1
FC(F)(F)c1ccc(\C=C\S(=O)(=O)Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)cc1
CCCCCCCCCCCCCCSC(=O)c1c(O)oc(CO)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O
CCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O
CCCCCCCCOC(=O)c1c(O)oc(CO)c1O
CCCCCCCCCCCCCCCC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17|
CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O
CCCCC\C=C\C\C=C\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O
OCc1oc(O)c(C(=O)C=Cc2ccccc2)c1O |w:10.10|
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#8])oc(-[#6]-[#8])c1-[#8])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
CCCCCCCCCCCCCCNC(=O)c1c(O)oc(CO)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(COS(C)(=O)=O)c1O
OCc1oc(O)c(C(=O)OC2CCCCC2)c1O
CCCCCCCC\C=C\CCCCCCCC(=O)c1c(O)oc(CO)c1O
CCCCC\C=C\C\C=C\C\C=C\CCCCCOC(=O)c1c(O)oc(CO)c1O
CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(=C)C1=O
CCCCCCCCCCCCCCOC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O
CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OC)c1O
OCc1oc(O)c(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)coc1O
OCc1oc(O)c(C(=O)OCc2ccccc2)c1O
CCCCCCCCCCCCCCCC(=O)C1=C(O)O[C@H](CC(=O)Oc2ccc(cc2)C2(N=N2)C(F)(F)F)C1=O |c:17,34|
CC\C=C\C\C=C\C\C=C\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O
CCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)O[C-]([N+]#N)C(=O)OCC)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2cccc(c2)C(=O)c2ccccc2)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2ccc(cc2)C(=O)c2ccccc2)c1O
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(C)c1O
OCc1oc(O)c(C(=O)OCCCCCCCCCCCCCCCCNC(=O)OCC=C)c1O
CCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O
COC1C(=N)C(=O)c2nc(ccc2C1=O)-c1nc(C(=O)OC)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |(10.32,-.31,;10.33,-1.86,;11.68,-2.63,;11.68,-4.17,;10.33,-4.94,;13,-4.93,;13.01,-6.48,;14.33,-4.16,;15.67,-4.93,;17,-4.16,;16.98,-2.62,;15.65,-1.86,;14.33,-2.63,;13,-1.85,;13,-.29,;18.33,-4.93,;19.66,-4.15,;21,-4.92,;22.33,-4.15,;22.31,-2.6,;23.67,-4.91,;25,-4.12,;21,-6.46,;22.34,-7.23,;19.66,-7.25,;18.33,-6.48,;17,-7.25,;19.67,-8.79,;18.33,-9.55,;18.33,-11.09,;19.66,-11.86,;19.67,-13.41,;18.33,-14.18,;21,-11.09,;22.34,-11.85,;22.35,-13.4,;21,-9.55,;22.33,-8.78,)|
OC(=O)C(Cc1c[nH]c2ccccc12)=Nc1c(O)c2ncccc2c(O)c1Cl |w:14.16|
O=C1C=CC(=O)c2ncccc12 |c:2|
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12 |w:6.6|
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Oc1c(Cl)c(N=CCc2c[nH]c3ccccc23)c(O)c2ncccc12 |w:6.6|
ClC1=C(Cl)C(=O)c2cnccc2C1=O |c:1|
COc1cc(CC=Nc2cc(O)c3cccnc3c2O)ccc1O |w:6.5|
ClC1=C(NC2CCc3ccccc23)C(=O)c2ncccc2C1=O |c:1|
CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1 |c:12|
ClC1=C(Cl)C(=O)c2ncncc2C1=O |c:1|
ClC1=C(Cl)C(=O)c2ncccc2C1=O |c:1|
Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:5.5|
CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cnccc12 |w:6.6|
ClC1=C(Cl)C(=O)c2cnncc2C1=O |c:1|
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cnncc12 |w:6.6|
OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:13|
CC(Nc1cc(O)c2ncccc2c1O)C(=O)c1ccccc1
O=C1C=C(C2CCCCC2)c2ccccc2C1=O |t:2|
O=C1C=C(c2ccccc2)c2ccccc2C1=O |t:2|
COC(=O)c1ccc(cc1)C1=CC(=O)C(=O)c2ccccc12 |t:11|
O=C1C=C(c2c[nH]c3ccccc23)c2ccccc2C1=O |t:2|
CC(C)(C)c1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)|
O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O
O=C1CC(=O)C(=O)C(c2c[nH]c3c(cccc23)-c2ccccc2)C1=O
CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)|
OC1C(Br)CC(CC=Nc2c(O)c3ncccc3c(O)c2Cl)CC1Br |w:7.6,(-3.47,-4.69,;-2.14,-5.46,;-.79,-4.7,;-.81,-3.16,;.52,-5.47,;.54,-7,;1.87,-7.77,;3.2,-7,;4.53,-7.77,;5.86,-7,;7.19,-7.77,;7.21,-9.31,;8.52,-7,;9.85,-7.77,;11.19,-7,;11.2,-5.46,;9.87,-4.67,;8.52,-5.44,;7.19,-4.69,;7.18,-3.13,;5.86,-5.44,;4.53,-4.67,;-.81,-7.77,;-2.14,-7,;-3.47,-7.77,)|
CCCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O
O=C1CC(=O)C(=O)C(c2c[nH]c3c(OCc4ccccc4)cccc23)C1=O
CC(C)=CCc1c(Cl)ccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-.63,-8.92,;-1.19,-7.49,;-2.72,-7.25,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)|
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)|
Clc1cccc2[nH]cc(C3C(=O)C(=O)CC(=O)C3=O)c12
Clc1ccc2c(c[nH]c2c1)C1C(=O)C(=O)CC(=O)C1=O
O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O
O=C1CC(=O)C(=O)C(c2c[nH]c3c2ccc2ccccc32)C1=O
O=C1CC(=O)C(=O)C(c2c([nH]c3ccccc23)C2CC2)C1=O
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)CCC1=C(C)C(=O)NC1=O |r,c:25|
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O |r,c:21,t:27|
[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)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@H](O)CC\C(C)=C/CC[C@]12C)cc3C=O |c:22|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@](C)(O)CC\C(C)=C/CC[C@]12C)cc3C(C)O |c:23|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@](C)(O)CCC(C)CCC[C@]12C)cc3C
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@H](O)CCC(C)CCC[C@]12C)cc3CO
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H](CC(O)=O)C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)OC1=O
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@H](CC\C(C)=C/CC[C@]12C)OC(C)=O)cc3CO |c:21|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@](C)(O)CC\C(C)=C/CC[C@]12C)cc3C(C)=O |c:23|
COC(=O)C(=O)O[C@H]1CC\C(C)=C/CC[C@]2(C)[C@H](CC[C@H]2c2ccc(C1)cc2C(O)=O)[C@H](C)CCCC(C)C |c:11|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@H](O)CC\C(C)=C/CC[C@]12C)cc3CO |c:22|
COC(=O)c1cc2C[C@H](CC\C(C)=C/CC[C@]3(C)[C@H](CC[C@H]3c1cc2)[C@H](C)CCCC(C)C)OC(C)=O |c:12|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(CC(O)CC\C(C)=C/CC[C@]12C)cc3C(O)=O |c:22|
COC(=O)c1cc2C[C@@H](O)CC\C(C)=C/CC[C@]3(C)[C@H](CC[C@H]3c1cc2)[C@H](C)CCCC(C)C |c:13|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@H](CC\C(C)=C/CC[C@]12C)OC(C)=O)cc3C(O)=O |c:21|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@H](CC\C(C)=C/CC[C@]12C)OC(=O)CC(C)=O)cc3C(O)=O |c:21|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@](C)(CCC(C)CCC[C@]12C)OC(C)=O)cc3CN1CCOCC1
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(CC(=O)CC\C(C)=C/CC[C@]12C)cc3C(O)=O |c:22|
C[C@H](COC(=O)c1ccccc1)[C@H]1CC[C@H]2c3ccc(C[C@@H](O)CC\C(C)=C/CC[C@]12C)cc3C(O)=O |c:27|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@H](CC\C(C)=C/CC[C@]12C)Oc1ccccc1)cc3C=O |c:21|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@](O)(CC=C)CC\C(C)=C/CC[C@]12C)cc3C(O)=O |c:25|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@](C)(CCC(C)CCC[C@]12C)OC(C)=O)cc3C
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@](O)(CC=C)CC\C(C)=C/CC[C@]12C)cc3C(O)=O |c:25|
COC(=O)c1cc2CC(=O)CC\C(C)=C/CC[C@]3(C)[C@H](CC[C@H]3c1cc2)[C@H](C)CCCC(C)C |c:13|
COCc1cc2C[C@](C)(CC\C(C)=C/CC[C@]3(C)[C@H](CC[C@H]3c1cc2)[C@H](C)CCCC(C)C)OC(C)=O |c:12|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@H](CC\C(C)=C/CC[C@]12C)OC(C)=O)cc3C=O |c:21|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@](C)(CC\C(C)=C/CC[C@]12C)OC(C)=O)cc3C(C)=O |c:22|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@@H](CC\C(C)=C/CC[C@]12C)Oc1ccccc1)cc3C(O)=O |c:21|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(CC(=O)CCC(C)CCC[C@]12C)cc3C(O)=O
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(CC(O)CCC(C)CCC[C@]12C)cc3C(O)=O
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@H](CCC(C)CCC[C@]12C)OC(C)=O)cc3C(O)=O
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(C[C@](C)(CC\C(C)=C/CC[C@]12C)OC(C)=O)cc3C(C)O |c:22|
CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O |r|
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@@H](O)C1=CC(=O)OC1O |t:24|
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1O |t:24|
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O |t:24|
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@H](O)C1=CC(=O)OC1O |t:24|
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CCOP(O)(O)=O
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)COP(O)(O)=O
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CCO
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCCC2(C)CO
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H](O)CCC[C@]12C
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H](CCC[C@]12C)OP(O)(O)=O
COC1=CC(=O)C(=O)C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O |r,t:2|
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3)s2)cc1
Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3F)s2)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccc(F)c3)s2)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(cc3)[N+]([O-])=O)s2)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccco3)s2)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccnc3)s2)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1
Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Cc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
COc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3F)s2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccccc3[N+]([O-])=O)s2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3ccccc3)s2)c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c(c1)[N+]([O-])=O
[O-][V](=O)([O-])[O-]
COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
NCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Oc1nc(Nc2ccccc2)cc2ccccc12
Oc1nc(Nc2ccccc2Cl)cc2ccccc12
Cc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
Fc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
Oc1nc(Nc2ccc(F)cc2)cc2ccccc12
COc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
COc1ccc(OC)c(Nc2cc3ccccc3c(O)n2)c1
Oc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
CCOC(=O)c1ccc(Nc2cc3ccccc3c(O)n2)cc1
O=c1[nH]c(Nc2ccccc2-c2ccccc2)cc2ccccc12
O=c1[nH]c(NCc2ccccc2)cc2ccccc12
COc1ccc(CNc2cc3ccccc3c(=O)[nH]2)cc1
CN(Cc1ccccc1)c1cc2ccccc2c(=O)[nH]1
CN(Cc1ccccc1Br)c1cc2ccccc2c(=O)[nH]1
O=c1[nH]c(Nc2nc[nH]n2)cc2ccccc12
Oc1nc(Nc2ccccn2)cc2ccccc12
O=c1[nH]c(cc2ccccc12)N1CCCCC1
Oc1nc(cc2ccccc12)N1CCOCC1
OCCCCCCNc1cc2ccccc2c(=O)[nH]1
COc1ccccc1Nc1cc2cc(ccc2c(=O)[nH]1)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
Fc1ccccc1-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
O=c1[nH]c(Nc2ccccc2)cc2cc(ccc12)-c1ccsc1
Nc1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
Oc1nc(Nc2ccccc2)cc2cc(Br)ccc12
O=c1c2ccccc2cc2[nH]c3ccccc3n12
Cc1ccc(Nc2nc(O)c3ccccc3c2C(=O)c2ccccc2)cc1
CC(C)C1=Cc2ccccc2C(=O)C1=O |t:3|
CC(C)C1=C(Nc2ccccc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
CC(C)C1=C(Nc2ccc(C)cc2)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(c2ccccc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
COc1ccc(NC2=C(C(C)C)C(=O)C(=O)c3ccccc23)cc1 |c:7|
CC(C)C1=C(Sc2ccc(Br)cc2)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(Sc2ccccc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
CC(C)C1=C(Nc2ccc(C)cc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
COc1ccc(NC2=C(C(C)C)C(=O)C(=O)c3c4CCCC(C)(C)c4ccc23)cc1 |c:7|
CC(C)C1=C(Sc2ccc(NC(C)=O)cc2)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(Sc2ccc(NC(C)=O)cc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
CC(C)C1=C(Sc2ccc(F)cc2)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(c2ccccc2)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(Nc2ccccc2)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2C(=O)C1=O |c:3|
CC(C)C1=C(Sc2ccc(Br)cc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
CC(C)C1=C(Sc2ccc(F)cc2)c2ccc3c(CCCC3(C)C)c2C(=O)C1=O |c:3|
CC(C)C1=C(Sc2ccccc2)c2ccccc2C(=O)C1=O |c:3|
CCCCCCCCCCCCCCCC(=O)C1=C(O)OC2(CCCC2)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(CC)(CC)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(CC)OC1=O |c:17|
CC(C)C(=O)C1=C(O)OC(C)(C)OC1=O |c:5|
CCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:11|
CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19|
CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(CO)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(COCc2ccccc2)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)OC(COCc2ccccc2)C1 |t:18|
CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccc(cc2)C(=O)c2ccccc2)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(C)=O)OC1=O |c:17|
CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COS(C)(=O)=O)OC1=O |c:17|
CCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:8|
CCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:13|
CCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:11|
CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:17|
CCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:10|
CCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:9|
CCCCCCCC\C=C/CCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:17|
CCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:6|
CCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:15|
CCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O |c:14|
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
CCCCCCCCCCCCCCCC(=O)C1C(=O)O[C@H](COC(=O)N=C=NC(=O)OCC)C1=O |r|
COc1ccc(cc1)-n1nnc(SCC(=O)c2ccc(O)c(O)c2)n1
CC1=C(SCCO)C(=O)c2ccccc2C1=O |c:1|
Clc1ccc(cc1)-c1ccc(\C=C\C2NC(=O)C(C#N)C(=S)N2c2ccccc2)o1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C
Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C |w:12.13,14.15,t:6|
C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19|
CCOC1=CC(=O)C(=O)c2ccccc12 |t:3|
Oc1cccc2C(=O)C3=NCCS(=O)(=O)C3C(=O)c12 |t:8|
O=C1C2C(=NCCS2(=O)=O)C(=O)c2ccccc12 |c:3|
c1cc(c2c(c1O)C(=O)C=CC2=O)O
c1cc2c(c(c1)O)C(=O)C=CC2=O
O=C1C2C(=NCCS2(=O)=O)C(=O)c2cc3CCCCc3cc12 |c:3|
O=C1C=CC(=O)c2ccccc12 |c:2|
CC1=CC(=O)c2ccccc2C1=O
c1ccc2c(c1)C(=O)c3ccccc3C2=O
O=C1C=CC(=O)c2cc3CCCCc3cc12 |c:2|
Oc1c2Oc2c(O)c2cc3CCCCc3cc12
C1=CC(=O)C=CC1=O
Oc1cc(NCC=O)c(O)c2ccccc12
Cc1c(O)c2ccccc2c(O)c1NCC=O
Cn1cccc1C=C1SC(Nc2ccc(Cl)cc2)=NC1=O |w:6.6,c:19|
Cn1cccc1C=C1SC(Nc2ccc(F)cc2)=NC1=O |w:6.6,c:19|
Brc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1 |w:13.14,15.16,t:7|
Clc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1 |w:13.14,15.16,t:7|
CC(C=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1=O)=Cc1ccccc1 |w:2.1,18.20,c:15|
Clc1ccccc1NC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:14.16,16.18,t:9|
Clc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1Cl |w:13.14,15.16,t:7|
Fc1ccc(NC2=NC(=O)C(S2)=Cc2cccs2)cc1 |w:12.13,t:6|
CC(C=C1SC(Nc2cccc(Cl)c2)=NC1=O)=Cc1ccccc1 |w:2.1,17.19,c:14|
CC(C=C1SC(Nc2ccc(C)c(C)c2)=NC1=O)=Cc1ccccc1 |w:2.1,18.20,c:15|
Clc1ccc(NC2=NC(=O)C(S2)=Cc2cccs2)cc1 |w:12.13,t:6|
CC(C=C1SC(Nc2ccc(Br)cc2)=NC1=O)=Cc1ccccc1 |w:2.1,17.19,c:14|
Clc1cc(Cl)cc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1 |w:14.15,16.17,t:8|
Oc1cccc(NC2=NC(=O)C(S2)=Cc2cccs2)c1 |w:13.14,t:7|
Clc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c(Cl)c1 |w:12.13,14.15,t:6|
Clc1cc(Cl)cc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)c1 |w:14.15,t:8|
Clc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)c(Cl)c1 |w:12.13,t:6|
CC(C=C1SC(Nc2ccccc2Cl)=NC1=O)=Cc1ccccc1 |w:2.1,17.19,c:14|
COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
COc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
Cn1c(SCC(=O)c2ccc(cc2)[N+]([O-])=O)nnc1-c1cccc(NC(=O)c2ccccc2F)c1
Cn1c(SCC(=O)c2ccc(cc2)-c2ccccc2)nnc1-c1ccncc1
Clc1ccc(cc1Cl)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccco1
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1C=C
Cn1c(SCC(=O)c2ccc(cc2)-c2ccccc2)nnc1-c1ccco1
Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccco2)n1C=C
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccco1
Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
Cn1c(SCC(=O)c2ccc(cc2)[N+]([O-])=O)nnc1-c1cccc(Cl)c1
O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1
O=S(=O)(Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1
Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
OC(=O)C(Cc1ccccc1)=Nc1c(O)c2ccccc2c(O)c1Cl |w:11.12|
Oc1c(Cl)c(N=CCc2ccc(F)cc2)c(O)c2ccccc12 |w:5.4|
OC(=O)c1ccc2C(=O)\C(=C/c3ccccc3)C(=O)c2c1
Clc1ccc(NC(=O)Nc2ncc3C(=O)CC(Cc3n2)c2ccco2)cc1Cl
Nc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1
CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C
CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)c1C
CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N\O)N(C(C)C)C2=O)c1C
CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccccc3F)N(C2=O)c2ccccc2F)c1C
CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)c1C
CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1C
CC(C)N1\C(S\C(=C/c2ccc(OCCN(C)c3ccccn3)cc2)C1=O)=N\O
Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3cccc(c3)C(O)=O)c12 |w:15.15|
CCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)[N+]([O-])=O
CCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)[N+]([O-])=O
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)[N+]([O-])=O
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(c1)[N+]([O-])=O
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1F
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(F)c1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(F)cc1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(Cl)c1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Cl)cc1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1Br
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(Br)c1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Br)cc1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(OC)c1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(OC)cc1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1C
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(C)c1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(C)cc1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1C(=O)OC
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)C(=O)OC
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccccc1C(F)(F)F
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(F)c(Cl)c1
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(Cc3ccccc3)C(=O)c12
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(Cc3ccc(F)cc3)C(=O)c12
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccsc1C(=O)OC
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C3CCCCC3)C(=O)c12
CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc2ccccc12
CCCCCCCCCCCCCCCCCC(=O)c1nn(C)c2C(=O)N(C(=O)c12)c1ccccc1
CCCCCCCCCCCCCCCCCC(=O)c1cc([nH]n1)C(=O)Nc1ccccc1C(=O)OC
CCCCCCCCCCCCCCCCCC(=O)c1cc([nH]n1)C(=O)Nc1ccsc1C(=O)OC
CCCCCCCCCCCCCCCCCC(=O)c1cc([nH]n1)C(=O)Nc1ccccc1C(O)=O
CCCCCCCCCCCCCCCCCC(=O)c1cc([nH]n1)C(=O)Nc1ccsc1C(O)=O
CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)[N+]([O-])=O
CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Cl)cc1
OC[C@@H](C(O)=O)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
C[C@@H](O)[C@@H](CO)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC[C@@H](C(O)=O)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
C[C@@H](O)[C@@H](C(O)=O)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r|
COC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1 |r|
OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CNC(=O)c2ccccc2)nn1 |r|
CN(C)CC=Nc1c(C)c(O)c2sc(C)nc2c1O |w:5.5|
C[C@]1(Br)[C@@H](Br)S(=O)(=O)c2ccccc2C1=O |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O |r,t:24|
OCCSC1=C(SCCO)C(=O)N(C1=O)c1ccc(cc1)-c1ccccc1 |c:4|
CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r|
CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r|
CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r|
C[C@H](OCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(O)=O |r|
CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
COc1cccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)c1
COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1
COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC
Cc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)c1ccccc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)Cc1ccc(Cl)cc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)COc1ccc(Cl)cc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)CCc1ccccc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1F
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(F)c1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(F)cc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Cl
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1cccc(Cl)c1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccccc1Br
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Br)cc1
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)cc1Cl
OC(=O)C(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)\C=C\c1ccc(Cl)c(Cl)c1
C[C@H]1CC=C2[C@H](CCC[C@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)O[C@@H]1O |c:3,t:24|
C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1O |c:3,t:24|
C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@H]1C[C@H](O)C1=CC(=O)OC1O |c:3,t:23|
CC1(CC(O)C2=CC(=O)OC2O)CCCCC1 |t:5|
O=C1C=CC(=O)c2c1ccc1c3ccccc3oc(=O)c21 |c:2|
O=C(CSC1=C(SCC(=O)OCc2ccccc2)C(=O)c2ccccc2C1=O)OCc1ccccc1 |c:4|
OC(=O)CSC1=C(SCC(O)=O)C(=O)c2ccccc2C1=O |c:5|
CC1=C(SCC(O)=O)C(=O)c2ccccc2C1=O |c:1|
OC(=O)CCSC1=C(SCCC(O)=O)C(=O)c2ncccc2C1=O |c:6|
BrC1=C(Br)C(=O)c2ncccc2C1=O |c:1|
CC1=C(SCCC(O)=O)C(=O)c2ccccc2C1=O |c:1|
Cc1c(O)c2ccccc2c(O)c1C=CCC(O)=O |w:13.14|
OC(=O)C(C=Cc1cc(O)c2ccccc2c1O)C(O)=O |w:4.3|
[#8]-[#6](=O)-[#6](=[#6]/c1cc(-[#8])c2ccccc2c1-[#8])\[#6](-[#8])=O
Oc1cc(C=CC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(O)c2ccccc12 |w:5.5|
[#8]-c1cc(\[#6]=[#6](/[#6](=O)-[#8]-[#6]-c2ccccc2)-[#6](=O)-[#8]-[#6]-c2ccccc2)c(-[#8])c2ccccc12
OC(=O)CSC1=C(SCC(O)=O)C(=O)c2ncccc2C1=O |c:5|
OC(=O)c1ccccc1C(=O)c1ccc(cc1)-c1ccccc1
OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
OC(=O)c1cc(=O)[nH]c(NC2=CC(=O)C(=O)c3ccccc23)n1 |t:10|
OC(=O)c1cccc(NC2=CC(=O)C(=O)c3ccccc23)c1 |t:9|
Nc1ccc(Cc2ccc(N)c(c2)C(O)=O)cc1C(O)=O
Nc1ccc(cc1S(=O)(=O)c1cc(ccc1N)C(O)=O)C(O)=O
CNc1ccc(cc1[N+]([O-])=O)C(=O)c1ccccc1C(O)=O
OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
OC(=O)CCc1cccc(c1)[Sb](O)(O)=O
CCCCCCCCCCCCCCCC(NCc1ccccc1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1cccc(C)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1cccc(Cl)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1cccc(F)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1cccc(O)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1cccc(OC)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccc(C)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccc(Cl)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccc(F)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccc(O)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccc(OC)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccc(cc1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccccc1C)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccccc1Cl)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccccc1F)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccccc1OC)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1ccccc1N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
CCCCCCCCCCCCCCCC(NCc1cccc(c1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ncccc12 |w:5.4|
Oc1c(Br)cc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3cc(Br)c(O)c(Br)c3)=NC2=O)cc1Br |w:6.5,25.26,c:36,t:19|
Oc1ccc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,24.25,c:33,t:18|
Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=Cc4ccc5n[nH]cc5c4)CC3)=NC2=O)cc1 |w:5.4,25.26,c:40,t:19|
Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=CC=Cc4ccco4)CC3)=NC2=O)cc1 |w:23.22,5.4,26.26,c:37,t:19|
Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=CC=Cc4ccccc4)CC3)=NC2=O)cc1 |w:23.22,5.4,26.26,c:38,t:19|
Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=Cc4ccc5OCOc5c4)CC3)=NC2=O)cc1 |w:5.4,25.26,c:40,t:19|
Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=Cc4cc(Br)c(O)c(Br)c4)CC3)=NC2=O)cc1 |w:5.4,25.26,c:39,t:19|
O=C1N=C(NCCCCCCCNC2=NC(=O)C(S2)=Cc2ccc(o2)-c2ccccc2)SC1=Cc1ccc(o1)-c1ccccc1 |w:33.37,19.20,t:2,13|
O=C1N=C(NCCCCCCCNC2=NC(=O)C(S2)=CC=Cc2ccccc2)SC1=CC=Cc1ccccc1 |w:29.31,31.33,17.16,20.20,t:2,13|
O=C1N=C(NCCCCCCCNC2=NC(=O)C(S2)=Cc2ccc3OCOc3c2)SC1=Cc1ccc2OCOc2c1 |w:31.35,19.20,t:2,13|
OC(=O)C=Cc1ccc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(C=CC(O)=O)cc3)=NC2=O)cc1 |w:4.4,34.35,28.29,9.8,c:41,t:22|
O=C1N=C(NCCCCCCCNC2=NC(=O)C(S2)=Cc2ccccc2)SC1=Cc1ccccc1 |w:28.31,19.20,t:2,13|
Oc1ccc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)c(O)c3)=NC2=O)cc1O |w:5.4,24.25,c:34,t:18|
Oc1ccc(C=C2SC(NCCCc3cn(CCCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1 |w:26.27,5.4,c:38,t:20|
Oc1ccc(C=C2SC(NCCCn3cc(CCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1 |w:5.4,25.26,c:37,t:19|
Oc1ccc(C=C2SC(NCCCn3cc(CNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1 |w:24.25,5.4,c:36,t:18|
Oc1ccc(C=C2SC(NCCCc3cn(CCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1 |w:25.26,5.4,c:37,t:19|
Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)CC3)=NC2=O)cc1 |w:5.4,25.26,c:37,t:19|
Oc1ccc(C=C2SC(NCc3cccc(CNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)c3)=NC2=O)cc1 |w:5.4,24.25,c:35,t:18|
Oc1ccc(C=C2SC(NCC3CCCC(CNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)C3)=NC2=O)cc1 |w:5.4,24.25,c:35,t:18|
Oc1ccc(C=C2SC(NCCCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,26.27,c:35,t:20|
Oc1ccc(C=C2SC(NCCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,25.26,c:34,t:19|
Oc1ccc(C=C2SC(NCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,23.24,c:32,t:17|
Oc1ccc(C=C2SC(NCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,22.23,c:31,t:16|
Oc1ccc(C=C2SC(NCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,21.22,c:30,t:15|
C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O |r,c:3,t:24|
OC(=O)c1ccc(F)c(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r|
OC(=O)c1cc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)ccc1Cl |r|
OC(=O)c1ccc(F)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r|
OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c1 |r|
OC(=O)c1cccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)c1 |r|
COc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1
COc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)cc1
COc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2Cc2ccccc2)cc1
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccccc2)cc1
CCOC(=O)c1cccc(Nc2cccc3c(N)cccc23)c1
OC(=O)c1ccccc1Nc1cccc2c(O)cccc12
CCOC(=O)c1ccccc1C(=O)c1cccc2ccccc12
COc1ccc(Nc2cccc(c2)C(O)=O)c2ccccc12
CCOC(=O)c1ccccc1Nc1cccc2ccccc12
Nc1cccc2c(Nc3cccc(c3)C(O)=O)cccc12
Nc1ccc(Nc2cccc(c2)C(O)=O)c2ccccc12
CCOC(=O)c1ccccc1Nc1cccc2c(O)cccc12
OC(=O)c1cccc(Nc2cccc3c(O)cccc23)c1
OC(=O)c1cccc(Nc2cc(O)cc3ccccc23)c1
COc1cc(Nc2ccccc2C(O)=O)c2ccccc2c1
CCOC(=O)c1ccccc1Nc1ccc(OC)c2ccccc12
COc1ccc(C(=O)c2ccccc2C(O)=O)c2ccccc12
OC(=O)c1cccc(Nc2cccc3ccccc23)c1
COc1cc(C(=O)c2ccccc2C(O)=O)c2ccccc2c1
OC(=O)c1ccccc1C(=O)c1cccc2ccccc12
CCOC(=O)c1cccc(Nc2cc(OC)cc3ccccc23)c1
COc1ccc(Nc2ccccc2C(O)=O)c2ccccc12
COc1cc(Nc2cccc(c2)C(O)=O)c2ccccc2c1
CCOC(=O)c1ccccc1Nc1cc(OC)cc2ccccc12
CCOC(=O)c1ccccc1Nc1cccc2c(N)cccc12
CCOC(=O)c1cccc(Nc2cccc3c(O)cccc23)c1
OC(=O)c1ccccc1Nc1cc(O)cc2ccccc12
OC(=O)c1ccccc1C(=O)c1cc(O)cc2ccccc12
c1ccc(cc1)Nc2cccc3c2cccc3
OC(=O)c1ccccc1Nc1cccc2ccccc12
OC(=O)c1cccc(Nc2ccc(O)c3ccccc23)c1
CCOC(=O)c1cccc(Nc2cccc3ccccc23)c1
OC(=O)c1ccccc1Nc1ccc(O)c2ccccc12
Nc1cccc2c(Nc3ccccc3C(O)=O)cccc12
CCOC(=O)c1cccc(Nc2ccc(OC)c3ccccc23)c1
Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1 |c:11|
ClC1=C(NCc2cn(Cc3cccc(c3)C#N)nn2)C(=O)c2ncccc2C1=O |c:1|
ClC1=C(NCc2cn(Cc3ccccc3C#N)nn2)C(=O)c2ncccc2C1=O |c:1|
COc1ccc(OC)c2C(=O)C(SCCC(O)=O)=CC(=O)c12 |c:17|
OC(=O)CCCNC1=C(Cl)C(=O)c2ccccc2C1=O |c:7|
CC1=CC(=O)c2c(cccc2O)C1=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
CC(SC1=CC(=O)c2ccccc2C1=O)C(O)=O |t:3|
CCSC1=C(C)C(=O)c2ccccc2C1=O |c:3|
CC(C)SC1=C(C)C(=O)c2ccccc2C1=O |c:4|
CSC1=C(SC)C(=O)c2ccccc2C1=O |c:2|
COC1=CC(=O)c2ccccc2C1=O |t:2|
COC1=C(C)C(=O)c2ccccc2C1=O |c:2|
OC(=O)CCNC1=C(Cl)C(=O)c2ccccc2C1=O |c:6|
OC(=O)CCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O |c:9|
OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8|
COC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:9|
COC(=O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 |c:9|
OC(=O)CCSC1=CC(=O)c2ccccc2C1=O |t:6|
OC1=C(CN(CCCl)CCCl)C(=O)c2ccccc2C1=O |c:1|
CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
OC(=O)CSC1=CC(=O)c2ccccc2C1=O |t:5|
COCCSC1=C(C)C(=O)c2ccccc2C1=O |c:5|
COC1=C(OC)C(=O)c2ccccc2C1=O |c:2|
CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1 |c:9,(12.82,-3.32,;12.04,-4.63,;11.28,-5.98,;13.38,-5.41,;10.69,-3.87,;9.38,-4.63,;8.03,-3.87,;8.03,-2.33,;6.69,-1.57,;5.35,-2.33,;5.35,-3.87,;6.69,-4.63,;4,-4.63,;4,-6.18,;2.69,-3.87,;1.34,-4.63,;,-3.87,;,-2.33,;1.34,-1.57,;2.69,-2.33,;4,-1.57,;4,,;9.38,-1.57,;10.69,-2.33,)|
OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
OC(=O)CCCCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)C1=O
OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc3ccccc3c2)-c2ccccc2)C1=O
OC(=O)CCCCCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)C1=O
OC(=O)[C@@H](Cc1ccccc1)N1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)C1=O |r|
OC(=O)[C@@H](Cc1ccccc1)N1C(=S)S\C(=C/c2cn(nc2-c2ccc3ccccc3c2)-c2ccccc2)C1=O |r|
OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)C1=O
OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2Cl)-c2ccccc2)C1=O
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2)C1=O
Cc1ccc(COc2ccc3cc(\C=C4/SC(=S)N(C(Cc5c[nH]c6ccccc56)C(O)=O)C4=O)ccc3c2)cc1
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(Br)cc4)ccc3c2)C1=O
OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc3cc(OCc4ccc(F)cc4)ccc3c2)C1=O
OC(=O)C[C@H](Nc1nc(NCCCCCNC(=O)CCCNc2nc(N[C@@H](CC(O)=O)C(O)=O)nc(N[C@@H](Cc3ccc(O)cc3)C(O)=O)n2)nc(N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)n1)C(O)=O |r|
[H][C@]12OC(=O)[C@]3(C)C[C@]4([H])[C@]5(C)[C@@]([H])(O[C@](O)([C@H](C)O1)[C@]5(C(=O)OC)[C@]23O)C=C1C(=CC(=O)OC1(C)C)[C@@]4(C)O |r,c:31,33|
[H][C@]12C[C@@]3(C)C([C@]4([H])C(C)=C(C)[C@@]3(C(=O)OC)C(=O)[C@](C)(O)C4=O)[C@@]3(CC[C@H](OC(C)=O)C(C)(C)[C@@]13[H])C(=O)O2 |r,wU:19.21,27.29,35.39,wD:12.13,24.40,1.0,3.3,6.6,t:9,TLB:38:37:5.3.2:35,THB:11:10:5.3:17.19.22,9:8:5.3:17.19.22,(1.34,-4.38,;1.34,-2.84,;2.67,-2.06,;2.67,-.52,;3.75,-1.61,;1.33,.24,;1.1,1.77,;.33,3.1,;2.19,.68,;1.79,2.17,;3.52,1.45,;2.43,2.54,;4.09,.06,;5.18,-1.03,;6.67,-.63,;4.78,-2.52,;5.87,-3.61,;4.55,1.51,;6.04,1.91,;3.68,2.78,;5.01,3.55,;3.68,4.32,;2.14,2.89,;1.74,4.38,;-0,-.53,;-1.34,.24,;-2.67,-.53,;-2.67,-2.07,;-4,-2.84,;-5.33,-2.07,;-6.67,-2.84,;-5.33,-.53,;-1.33,-2.84,;-2.42,-3.93,;-.56,-4.17,;0,-2.07,;0,-3.61,;.04,.81,;-.36,2.3,;1.38,-1.01,)|
[H][C@]12C[C@@]3(C)[C@@]([H])(C=C(C)[C@@]4(C)[C@](C)(O)C(=O)[C@@]34C(=O)OC)[C@@]3(CC[C@H](OC(C)=O)C(C)(C)[C@@]13[H])C(=O)O2 |r,t:7,TLB:36:35:5.3.2:33|
[H][C@]12C[C@@]3(C)[C@@]([H])(C=C(C)[C@@]4(C)C(=O)[C@@](C)(O)[C@@]34C(=O)OC)[C@@]3(CC[C@H](OC(C)=O)C(C)(C)[C@@]13[H])C(=O)O2 |r,t:7,TLB:36:35:5.3.2:33|
c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1ccc2OCOc2c1 |c:5,t:8|
OC(=O)C1CCCCC1c1c2ccc(O)cc2oc2cc(=O)ccc12
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(cc3)-n3cc(CNC(=O)Nc4sccc4C(O)=O)nn3)c(=O)n2C1c1ccccc1 |c:5,t:8|
CCCCOc1cc2C(=O)C=CC(=O)c2c2c1c1ccccc1oc2=O |c:10|
[H][C@]1(CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)C[C@@H](O)C(C)(C)C=O |r,t:6|
CN(C)CCNC1=CC(=O)c2nc(oc2C1=O)-c1cc(F)ccc1F |t:6|
CN(C)CCNC1=CC(=O)c2sc(C)nc2C1=O |t:6|
CCOC(=O)c1ccc(cc1)N1C(S\C(=C\c2cccc(C)c2)C1=O)c1ccccc1
COC1=CC(=O)C=C([S@@+]([O-])c2ccc(C)cc2)C1=O |r,t:2,6|
COc1ccc2c(CSC3=CC(=O)c4ccccc4C3=O)cc(=O)oc2c1 |t:9|
[H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O |r|
[H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCc1ccccc1I |r,THB:10:9:1.2.3:6|
[H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCc1ccc(Br)cc1 |r,THB:10:9:1.2.3:6|
[H][C@@]12CC[C@@]3(C)C[C@]1(CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC)[C@H](Br)C3=O |r|
[H][C@@]12CC[C@@]3(C)C[C@@]1(C[C@H]3OC(=O)c1ccc(O)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.2.3:6|
CC(NC1=C(Cl)C(=O)c2cccnc2C1=O)c1cn(nn1)-c1ccc(CO)cc1 |c:3|
[H][C@@]12C[C@H](CO)C[C@H](C)[C@@]1([H])[C@@]1([H])Oc3ccc(C[C@]4(O)NC(=O)[C@@]56C(=O)[C@]7([H])[C@]1([H])[C@@]2([H])C(C)=C[C@]7(C)[C@]5([H])C(C)=CC[C@]46[H])cc3 |r,c:37,46|
[H][C@@]12O[C@]1(C)[C@H](C)C1=C(C)[C@@]3([H])[C@]4([H])C[C@H](C)C[C@H](C)[C@@]4([H])[C@@]4([H])Oc5ccc(C[C@]6(O)NC(=O)[C@]7(O[C@@]67[H])C(=O)[C@@]([H])([C@]34[H])[C@@]21C)cc5 |r,c:8|
[H][C@]12Cc3ccc(O[C@]4([H])[C@]5([H])[C@@H](C)C[C@@H](CO)C[C@@]5([H])[C@]5([H])C(C)=C6[C@@H](C)C(C)=C[C@]6(C)[C@@]([H])(C(=O)[C@]1([H])C(=O)NC2=O)[C@@]45[H])cc3 |r,c:30,t:25|
[H][C@@]12C[C@H](C)C[C@H](C)[C@@]1([H])[C@]1([H])Oc3ccc(C[C@]4(O)NC(=O)C(=C4)C(=O)[C@]4([H])[C@]1([H])[C@@]2([H])C(C)=C1[C@@H](C)C(C)=C[C@]41C)cc3 |r,c:24,43,t:38|
[H][C@]12Cc3ccc(O[C@]4([H])[C@]5([H])[C@@H](C)C[C@@H](C)C[C@@]5([H])[C@]5([H])C(C)=C6[C@@H](C)C(C)=C[C@]6(C)[C@]([H])(C(=O)[C@]1([H])C(=O)NC2=O)[C@@]45[H])cc3 |r,c:29,t:24|
[H][C@]12Cc3ccc(O[C@]4([H])[C@]5([H])[C@@H](C)C[C@@H](C)C[C@@]5([H])[C@]5([H])C(C)=C6[C@@H](C)C(C)=C[C@]6(C)[C@@]([H])(C(=O)[C@]1([H])C(=O)NC2=O)[C@@]45[H])cc3 |r,c:29,t:24|
[H][C@@]12O[C@]11C(=O)N[C@@]2(O)Cc2ccc(O[C@]3([H])[C@]4([H])[C@@H](C)C[C@@H](C)C[C@@]4([H])[C@]4([H])C(C)=C5[C@@H](C)C(C)=C[C@]5(C)[C@@]([H])(C1=O)[C@@]34[H])cc2 |r,c:38,t:33|
OC(=O)C1Nc2c(cccc2C(O)=O)C2C=CCC12 |c:16|
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
OC(=O)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:14|