582 SMILES Strings for Phospholipase A2

Compound Name
SMILES String
Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N
OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCc1ccccc1 |r|
c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3
OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCCc1ccccc1 |r|
COc1ccccc1CCCCCCC(=O)N[C@@H](CCC(O)=O)Cc1ccc(OCc2ccccc2)cc1 |r|
CC(=O)Nc1ccccc1CCCCCCC(=O)N[C@@H](CCC(O)=O)Cc1ccc(OCc2ccccc2)cc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1cccnc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1cccc(c1)N(=O)=O |r|
OC(=O)CC[C@@H](Cc1ccc(Oc2ccccn2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
OC(=O)CC[C@@H](Cc1ccc(Oc2cccnc2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OCC2CCCCC2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OCC2CCCC2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)CCCCCCc1ccccc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
OC(=O)CC[C@@H](Cc1ccc(OC\C=C\c2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 |r|
CC(C)COc1ccc(C[C@H](CCC(O)=O)NC(=O)CCCCCCc2ccccc2)cc1 |r|
CCCCCCCOc1ccc(C[C@H](CCC(O)=O)NC(=O)CCCCCCc2ccccc2)cc1 |r|
OC(=O)CC[C@@H](Cc1ccc(O)cc1)NC(=O)CCCCCCc1ccccc1 |r|
CN(C)c1ccc(cc1)-c1nnn(Cc2ccccc2Br)n1
CCCCCC(=O)Nc1ccccc1N1CCN(CC1)c1ccccc1
CC(C)c1nc(SCC(=O)NCc2ccco2)c2c(C)c(C)sc2n1
CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Cc1c(cccc1Cl)Nc2ccccc2C(=O)O
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1
CN(C)c1cccc(c1)C(=O)n1cc(cn1)C(=O)c1cc(F)ccc1O
COc1ccc(-c2n[nH]c(c2-c2cc3ccccc3o2)C(F)(F)F)c(O)c1
CCCCn1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O
Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)N2CCOCC2)cc1
COc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)N2CCOCC2)cc1
Cc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1
COc1ccc(OC)c(c1)-c1cc(no1)C(=O)N1CCCc2ccccc12
Clc1ccc(cc1)-n1ncc2c1nc(SCC(=O)N1CCCc3ccccc13)[nH]c2=O
OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccoc1
COc1cc(OC)cc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
CCCOc1ccc2c3CCCc3c(=O)oc2c1OCCC
C(Sc1nnc-2c(OC(Nc3ccccc-23)c2ccco2)n1)c1ccccc1
Nc1c(N2CCN(CC2)c2ccccc2)c2ccccc2oc1=O
O=C(CNCC1CCCCC1)Nc1ccccc1N1CCCCC1
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
NC(=O)c1sc2nc3CCCc3c(-c3ccccc3)c2c1N
O=c1oc(nc2sc3CCCc3c12)-c1ccccc1
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2ccccc2c1
Cc1oc(cc1COc1cc(C)cc2oc(=O)c3CCCCc3c12)C(O)=O
Cc1ccc(cc1)C(=O)CC(=O)c1cc(Cl)ccc1O
Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2OCCOc2c1 |w:10.11|
CCOC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC1CCCCC1
CCCc1ccc(OC(=O)c2cccs2)cc1
COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C |c:12,t:9|
ON1N(C(=O)Nc2cc(Cl)c(Cl)cc12)c1cc(Cl)cc(Cl)c1
CC(C)c1ccc(OC(=O)c2cccs2)cc1C
CC(C)Oc1ccc(cc1)C(CC(=O)NCc1ccco1)c1ccccc1
COC(=O)C(C)N(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1c(C)cccc1C
Fc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCCCC1)-c1ccccc1F
Clc1ccccc1CN1CCN(CC1)c1ccccc1Cl
Cc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=S)Nc1cccc(Cl)c1Cl
CN(C)S(=O)(=O)c1ccc2[nH]cc(C=Cc3nc4ccccc4c(=O)n3-c3ccccc3)c2c1 |w:14.14|
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=CC1=Cc2ccccc2OC1C |w:16.15,t:18|
CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
CCCc1cc(=O)[nH]c(SCc2cc(Cl)ccc2OC(F)F)n1
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
O=C1C(=O)c2ccccc2-c2ccccc12
COc1ccc(cc1)N1C(=O)c2ccccc2NC11CCC(C)CC1
Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12 |w:13.15|
COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O |w:20.19,8.8|
CC(C)(C)c1ccccc1\N=C\c1ccc2ccccc2n1
Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1
Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCc1ccccc1Cl
Clc1ccccc1C1=NOC(C1)C(=O)Nc1sc2CCCc2c1C#N |t:8|
Fc1ccc(NCc2ccccc2F)cc1Cl
Cc1cccc(NC(=S)NNC(=O)c2csc3CCCCc23)c1
CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Cc1sc2nc(nc(SCC(=O)N3CC(=O)Nc4ccccc34)c2c1C)C1CCCCC1
CCOc1cc(\C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(O)=O
NC(=O)c1ccc(n(Cc2cccc(Cl)c2)c1=O)C(F)(F)F
FC(F)(F)c1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2)c1
COc1ccc(cc1)C(=O)Nc1cc(C(=O)c2ccccc2)c(C)oc1=O
Clc1ccccc1Nc1ncc(s1)C(=O)c1ccccc1
Clc1ccc(Oc2ccccc2\C=C2/SC(=O)NC2=O)cc1
Cc1ccc(cc1)C(=O)ON=C1CCCc2ccccc12
COc1cnc(SCc2c(Cl)cccc2Cl)nc1Cl
CCCCCCOc1ccc(cc1)-n1c(O)cc(SC(=N)NN=C(C)c2cccs2)c1O |w:22.22|
Clc1cccc(c1)-c1ccc(\C=C2/N=C(OC2=O)c2cccs2)o1 |c:14|
OC(=O)c1cccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)c1
[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccccc1
CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
Clc1cccc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)c1N1CCCC1
Clc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl
Cc1ccccc1NC(=O)C(=C\c1ccccc1)\c1ccccc1
Cc1ccc(cc1C)C(=O)NC(=S)Nc1ccccc1C(F)(F)F
O=C(ON=C1CCSc2ccccc12)c1ccccc1
CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
Cc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)n1
Oc1nc(N=NCc2cccs2)sc1CC(=O)Nc1ccc(Cl)c(Cl)c1 |w:4.3|
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
Cc1cccc2C(=O)C(=O)N(CCOc3ccc(cc3)C(C)(C)C)c12
OC(=O)c1ccc(Cn2c(cs\c2=[NH+]/c2ccccc2)-c2ccccc2)cc1
Cc1ccc(cc1)-n1c(SCC(=O)N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccc(C)c(C)c3)cc2)no1
Oc1c(Br)cc(Br)cc1C=Nc1ccc2OCOc2c1 |w:10.11|
O=C1NN(C(=O)\C1=C\c1ccc(Sc2cccc3ccccc23)o1)c1ccccc1
CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:9,t:4|
Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
CCOc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1
CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccccc1 |c:6,8|
Cc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C
Cc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1
CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=CCC(=O)c2ccc3ccccc3c2)s1 |w:16.16|
Cc1cccc(c1)-n1c(nc2ccccc2c1=O)-c1cccs1
CCC1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Br)cc1 |t:2|
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)CCCn1nc(c(Cl)c1C)[N+]([O-])=O
Fc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(cc2)C(=O)N2CCOCC2)c1
Fc1ccc(F)c(CSc2nc3ccccc3c(=O)n2-c2ccc(cc2)C(=O)N2CCOCC2)c1
COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1
COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(C)c(C)c1
COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccccc1C
CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1ccco1 |t:3|
Cc1ccc(cc1N=Cc1cc(Br)cc(Br)c1O)C(O)=O |w:7.7|
COC(=O)NN=Cc1cn(CCCOc2ccc(C)cc2)c2ccccc12 |w:5.4|
Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCc2ccccc2C1
CC(C)n1c(N=Cc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2ccccc12
COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2)C1=O
[O-][N+](=O)c1cc2oc3CCCCc3c2[c-](\C=[NH+]\Cc2ccccc2)c1=O
[H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OCCCCCCC)C2(C)C |TLB:8:6:25:3.2|
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1-c1sc2CCCCc2c1C#N |w:4.3,(10.07,3.1,;10.55,1.64,;12.01,1.16,;12.01,-.38,;13.26,-1.28,;14.67,-.66,;14.83,.87,;13.58,1.78,;16.23,1.5,;17.48,.59,;18.89,1.22,;17.32,-.94,;15.91,-1.56,;15.75,-3.09,;18.56,-1.84,;18.4,-3.37,;19.65,-4.28,;21.06,-3.65,;22.3,-4.56,;21.22,-2.12,;19.97,-1.22,;10.55,-.86,;10.07,-2.32,;9.64,.39,;8.1,.39,;7.2,-.85,;5.75,-.38,;4.41,-1.15,;3.08,-.38,;3.08,1.16,;4.41,1.93,;5.75,1.16,;7.2,1.63,;7.68,3.09,;8.16,4.56,)|
CC1=CC(\C=N\n2c(COc3ccccc3)nc3ccccc3c2=O)C(=O)C(=C1)[N+]([O-])=O |c:30,t:1|
[O-][N+](=O)c1ccccc1\C=C\C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C |w:12.13,14.15,t:6|
Oc1ccc(C=Cc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 |w:6.6|
Cc1nn(c(C)c1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)-c1ccccc1 |w:8.9|
CCC(CC)C1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:10,t:5|
[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])c(-[#6])sc1-[#7]\[#6]=[#6]-1/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O
FC(F)(F)Oc1ccc(NC(=S)NCc2ccccc2)cc1
CC(=C)Cn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nc2ccccc2c1=O |w:11.10|
OC(=O)CCn1cc(\C=C/C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
CCn1c(SCc2ccccc2Cl)nc2nc3CCCCc3cc2c1=O
COC(=O)c1c(NC(=O)C2Cc3ccccc3C(=O)O2)sc2CCCCc12
Clc1ccccc1C(=O)Nc1nc2c(cc3CCc4cccc2c34)s1
CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1)-c1ccccc1
Clc1cccc(CNC(=O)COc2ccccc2-c2ccccc2)c1
CCNc1nc(CSc2ccccc2)nc2sc(C)c(C)c12
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccccc2C=O)c1C
CC1CC(CC(C)(C)C1)=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 |w:9.10|
CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1
OC(=O)CC\C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
[O-][N+](=O)c1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
Clc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)c(Cl)c1 |w:12.13,t:6|
CC(CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |c:15|
CCOC(=O)c1ccc(\C=C2\C=C(N(C2=O)c2ccc(Cl)c(c2)C(O)=O)c2ccccc2)cc1 |c:11|
Clc1ccc2c(ccnc2c1)N=NCc1ccccc1Br |w:11.12|
Nc1nn(c(N)c1N=Nc1ccc2OCOc2c1)-c1ccccc1 |w:8.9|
Cc1c(Cl)c(nn1Cc1ccc(o1)C(=O)Nc1ccc(Cl)cn1)[N+]([O-])=O
C=CC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
Cc1ccc2nc(N=NCc3ccccc3F)nc(-c3ccccc3)c2c1 |w:7.6|
CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)NCc1ccccc1Cl
COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21
COc1ccccc1CNC(=O)c1ccccc1OCc1ccc(F)cc1
CC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc12
CCOc1ccc(cc1CSc1nc2ccccc2c(=O)n1CC=C)C(C)=O
Cc1ccccc1CN=Nc1ccnc2cc(Cl)ccc12 |w:9.10|
O=[#6](-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1cn(nc1-c1ccccc1)-c1ccccc1
COc1ccc(cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O
Fc1ccccc1-c1nnc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1CC=C
O=C1C=CC(C=C1)=NNc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |c:2,5,(3.08,7.31,;3.99,6.07,;3.36,4.66,;4.26,3.41,;5.8,3.58,;6.42,4.98,;5.52,6.23,;6.7,2.33,;6.07,.92,;6.98,-.32,;8.52,-.32,;9,-1.79,;7.75,-2.69,;6.5,-1.79,;7.75,-4.23,;6.42,-5,;6.42,-6.54,;7.75,-7.31,;9.08,-6.54,;9.08,-5,;10.46,-2.26,;10.78,-3.77,;12.25,-4.25,;13.39,-3.22,;13.07,-1.71,;11.6,-1.23,)|
CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(CC2c2ccco2)c2ccc(Cl)cc2)n1 |c:14|
CC(=O)Nc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc(C)n(Cc2ccccc2)c1C
Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCc2ccccc2C1
OC(=O)c1cc(NN=C2CC(Oc3ccccc23)c2ccccc2)ccc1Cl |w:7.6|
CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
Clc1cccc(NC(=S)NCc2ccccc2)c1
COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
OC(=O)COc1ccccc1C=C1SC(=S)N(N=Cc2ccccc2O)C1=O |w:17.17,11.11|
CN(C)Cc1ccc(F)cc1Sc1cc(Cl)ccc1Cl
Nc1c(oc2nc(cc(-c3ccccc3)c12)-c1ccccc1)-c1n[nH]c(=S)n1CC=C
Nc1nn(c(N)c1N=Nc1ccccc1)-c1ccccc1 |w:7.7|
[H]C12CCC(C)(C1(C)C)C1(C2)NC(=O)c2ccccc2O1 |TLB:20:9:6:3.2,THB:11:9:6:3.2|
Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1N=Cc1ccc(OCC(O)=O)cc1
[#8]-[#6](=O)-c1cc(Br)ccc1-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OC(C)C(O)=O
NC(=O)C(\NC(=O)\C=C\c1ccccc1)=C/c1ccccc1
Cc1ccc2nc3CCCc3c(Nc3ccc4OCCOc4c3)c2c1
Cc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1
OC(=O)CCn1cc(\C=C\C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
CC(C)COC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Fc1ccc(cc1)C1N(Cc2cccn2-c2ncccn2)CCc2c1[nH]c1ccccc21
COc1ccc(\C=C2/CCc3ccccc3C2=O)c(OC)c1OC
Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2C)C(O)=O)C1=O
NC(=O)CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O
Cc1ccccc1NC1=NC(=O)C(S1)=Cc1cccn1-c1cccc(c1)C(O)=O |w:14.16,t:9|
O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1ccccc1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Cc1cccc(c1)N=Cc1cc(Br)cc(Cl)c1O |w:7.7|
OC(CNCc1ccc(Cl)c(Cl)c1)c1ccccc1
Cc1ccc(cc1)-c1cc(no1)C(=O)N1CCc2ccccc2C1
[O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccccc1Cl
Brc1cccc(c1)-c1cc([nH]c(=O)c1C#N)-c1ccco1
Clc1cccc(Cl)c1CNc1ccc(cc1)N1CCCC1
Brc1ccc(o1)C(=O)NC(=S)NCCC1=CCCCC1 |t:15|
CC(C)(C)c1nc(SCC(=O)c2ccccc2)c2ccccc2n1
CN1C(\N=N\c2ccccc2C(O)=O)C(=O)N(C)C1=S
Fc1ccc(CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1
CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c(C)s2)-c2ccccc2)[nH]c(=O)c1C#N
CC(C)C(Sc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)C(O)=O
CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(c1O)[N+]([O-])=O
OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1
[H]C12CCCC([H])(CC(C1)NC(=S)NCc1ccccc1)N2Cc1ccc(C)cc1
COc1ccc2=NC(=NNC(c3ccc(C)o3)=c2c1)c1ccccc1 |c:7,17,t:5|
COC(=O)C=C1SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O |w:4.3,c:17|
CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Cc1c(CCOC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)sc[n+]1CC(=O)c1ccccc1 |TLB:6:8:15:10.18.12,11:10:15:8.19.20,THB:17:16:12:8.20.9,6:8:16.15.18:12,19:16:12:8.20.9,19:8:16.15.18:12,9:8:15:10.18.12|
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
O=C(Nc1ccccc1N1CCN(CC1)c1ccccc1)c1ccccc1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1
O=C(Cn1cccc1C(=O)c1ccccc1)NCCC1=CCCCC1 |t:21|
Oc1cc(=O)c2sc3nc(c4CCCCCc4c3c2[nH]1)C(F)(F)F
CCc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
OC(=O)\C=C\c1ccccc1Oc1ccc(Cl)cc1Cl
COc1ccc(\C=C2\SC(=O)N(CCCCCC(=O)Nc3ccccc3C(O)=O)C2=S)cc1
CC(C)(C)C(=O)CSc1ncnc2sc3CCCc3c12
OC(=O)c1cc(ccc1NCc1ccccc1Cl)[N+]([O-])=O
Cc1ccc(c(C)c1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14,(4.41,6.16,;5.75,5.39,;5.75,3.85,;7.08,3.08,;8.41,3.85,;8.41,5.39,;9.75,6.16,;7.08,6.16,;9.75,3.08,;9.75,1.54,;8.41,.77,;11.08,.77,;11.08,-.77,;9.75,-1.54,;9.75,-3.08,;11.08,-3.85,;11.08,-5.39,;9.75,-6.16,;8.41,-5.39,;8.41,-3.85,;7.08,-3.08,;7.08,-1.54,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;4.41,-3.08,;5.75,-3.85,;5.75,-5.39,;12.42,1.54,;13.79,.72,;15.19,1.51,;15.19,3.11,;13.79,3.9,;12.42,3.08,;11.08,3.85,;11.08,5.39,)|
Clc1ccc(CCNCC(=O)NCc2ccco2)c(Cl)c1
Fc1ccccc1C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
CCOc1ccc(cc1)C1=CS\C(N1CC)=C(/C#N)c1nnc2CCCCCn12 |t:10|
CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
COc1ccc2nc(N3CCCCC3)c(C=C3SC(S)=NC3=O)cc2c1 |w:15.15,c:20|
COc1ccc(cc1)C(CC(=O)NCc1ccccc1)C(C)C
O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
[#7]-c1c(\[#6]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)nc2snc(-[#16]-[#6]-c3ccccc3)n12 |c:5,9|
COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1
COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
CSc1n[nH]c2nc3-c4ccccc4CC4(CCCCC4)c3c(=O)n12
Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
COC(=O)c1sc(N(C)C)c(C#N)c1-c1ccccc1
Cc1c(C)c(C)c(CON=Cc2cccs2)c(C)c1C
Fc1ccc(cc1)C(=O)Oc1c(-c2ccccc2)c(=O)n2CCc3cccc1c23
Fc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1
Cc1onc(c1CNC(=O)Nc1cccc(Cl)c1)-c1ccccc1
C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
CCCOc1ccc2ccccc2c1\C=C1/SC(=O)NC1=O
OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|
COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
Oc1c(Br)cc(Br)cc1C=Nn1c(n[nH]c1=S)-c1ccccc1 |w:10.11|
Oc1c(Br)cc(Br)c(C=Nn2c(n[nH]c2=S)-c2ccccc2)c1Br |w:9.9|
O=C1C=C(N2CCOCC2)c2ccccc2C1=O |t:2|
OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
CCOC(=O)c1c(oc2cc(Br)c(O)c(C=O)c12)-c1ccccc1
C\C(\C=C1\SC(=S)N(CCCC(O)=O)C1=O)=C/c1ccccc1
COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N
OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O
Cc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
Brc1ccc(cc1)C1c2c(Oc3[nH]c(=S)[nH]c(=O)c13)[nH]c(=S)[nH]c2=O
OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCCC(C)C)[nH]c(=O)c2sc1=S |(22.4,.5,;20.89,.18,;19.86,1.33,;20.34,2.79,;19.31,3.94,;17.8,3.62,;16.77,4.77,;17.32,2.16,;18.35,1.01,;17.87,-.45,;16.42,-.92,;15.08,-.15,;13.75,-.92,;12.42,-.15,;11.08,-.92,;9.75,-.15,;9.75,1.39,;8.41,-.92,;7.08,-.15,;5.75,-.92,;4.41,-.15,;3.08,-.92,;4.41,1.39,;13.75,-2.46,;15.08,-3.23,;15.08,-4.77,;16.42,-2.46,;17.87,-2.93,;18.77,-1.69,;20.31,-1.69,)|
OC(=O)c1cc2OCCCOc2cc1NC(=O)c1ccccc1OC(F)F
[#8]-[#6](=O)-c1cc(-[#7]\[#7]=[#6]-2/c3ccccc3-c3ccccc-23)ccc1Cl
Fc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)C(F)(F)F
OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
OC(=O)Cc1sc(NC2CCCCC2)nc1-c1ccc(Cl)cc1
Cc1oc(nc1CS(=O)CC(=O)NCc1ccccc1Cl)-c1ccccc1Cl
COc1ccc(NS(=O)(=O)c2ccc3N[C@@H]([C@@H]4CC=C[C@@H]4c3c2)c2ccc(cc2)C(O)=O)cc1 |c:18|
CCOC(=O)C1CCCN(C1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1OC)c2=O
CC(C)c1ccc(NC2CCCN(C2)C(=O)CCN2Cc3ccccc3C2=O)cc1
Cc1cc(C)c(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cc1C
CC(C)c1cc([nH]n1)C(=O)N1CCCC(C1)Nc1ccc(cc1)C(C)C
Cc1cc([nH]n1)C(=O)N1CCCC(C1)C(=O)c1ccc(Oc2ccccc2)cc1
Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)(C)c1ccc(cc1)C(=O)C1CCCN(C1)C(=O)c1ccccn1
CC1CN(CCN1c1cccc(C)c1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
OC(=O)c1cc(Br)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1
CCc1nn(CCCC(=O)NCc2ccccc2Br)c(=O)c2cc3occc3n12
CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)N1CC(C)CC(C)C1
COC(=O)c1ccc(nc1)C(=O)N1CCCC(C1)Nc1ccc(cc1)C(C)C
CC(C)c1ccc(NC2CCCN(C2)C(=O)c2[nH]nc3CCCc23)cc1
Clc1cccc(Cl)c1NC(=O)c1cc(on1)-c1ccco1
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
Fc1ccc(\C=C\CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cc1
CC(C)c1ccc(NC2CCCN(C2)C(=O)c2cnn(c2)C(C)C)cc1
CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
COc1cc(ccc1O)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
Fc1ccc(CNC(=S)NCc2ccccc2)cc1
CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COc1ccc(Br)cc1C=O
CC1CC(C)CN(C1)C(=O)c1ccc(cc1)C(=O)c1ccccc1
CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
Cc1ccc(o1)C(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
CCC=CCC=CC\C=C/CCCCCCCC(=O)O
[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
CC1CCc2sc(cc2C1)C(=O)N1CCC(CC1)C(N)=O
CC(C)(C)n1ncc2c1ncn(Cc1ccccc1Br)c2=O
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O
OC(=O)COc1ccccc1CN=Nc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[N+]([O-])=O |w:13.14|
Cc1ccccc1S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14|
COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3cccc(c3)[N+]([O-])=O)cc2)nc(OC)n1
CN1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:8|
Oc1c(Cl)cc(Cl)cc1C=C1SC(S)=NC1=O |w:9.9,c:14|
Clc1ccc(cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N1CCc2ccccc2C1
COc1ccc(Br)cc1CNC(=O)C1CCN(CC1)S(=O)(=O)N1CCC(C)CC1
COc1ccc(cc1OC)-c1ccc(C#N)c(SCC(=O)Nc2sc3CCCc3c2C#N)n1
CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Oc1cc2ccccc2cc1C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
CCCCCCCCCCCCCCCC[n+]1ccccc1
Nc1[nH]c2ccc(Sc3ccccc3)cc2c1C#N
COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O |t:2|
NC(=N)c1ccc(cc1)N=Nc1c(O)ccc2c3ccccc3[nH]c12 |w:10.11|
COC1=C(Br)C(=O)c2ncccc2C1=O |c:2|
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(O)(=O)OCC3OC(CC3O)n3cc(F)c(=O)[nH]c3=O)C(O)C2O)c(=O)n1
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
CCCCCCCCCCCCCCCC[N+](C)(C)CCl
CCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO
CCCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO
Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1
COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1
CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCCCOCC |t:3|
Cc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3C)CC2)c1C
CCOc1ccc(cc1)C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1
FC(F)(F)c1cccc(CNC(=O)C2CC(=NO2)c2c(Cl)cccc2Cl)c1 |c:15|
Cc1c(Cl)c(nn1Cc1ccc(o1)C(=O)N\[NH+]=C\c1cc(Cl)ccc1[O-])[N+]([O-])=O
CCC1=Nc2cc(ccc2Sc2ccc(Cl)cc12)C(=O)NCc1ccco1 |t:2|
CCC1=Nc2cc(ccc2Sc2ccc(C)cc12)C(=O)NCc1ccco1 |t:2|
Cc1ccc2Sc3ccc(cc3N=C(C)c2c1)C(=O)NCc1ccco1 |t:13|
Clc1ccccc1C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Clc1ccc(cc1)-c1nnc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)o1
Cc1[nH]c2ccccc2c1C=C1SC(Nc2ccc(C)cc2)=NC1=O |w:10.11,c:24|
Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
CCCCCCCCCCC\C=C\C(C)(C)\C=C\CCCC(O)=O
C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)OC1O |w:28.31,c:4,t:17,25|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6]=O)=[#6]/[#6]-[#6]-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:16|
c1cc(ccc1C(=O)CBr)Br
CNC(CO)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1
CC(C)(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(C)(C)C)C2=O)cc1
COc1cccc(\C=C2/CCC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC
CC(C=C1CCCC(=CC(C)c2ccccc2)C1=O)c1ccccc1 |w:2.1,8.8|
CCN(CC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(CC)CC)C2=O)cc1
CCN(CC)C(C#C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3C)C(C#C)N(CC)CC)C2=O)c(C)c1
CNC(CO)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(CO)NC)cc1
CC(C)(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1
COc1cccc(\C=C\C(=O)\C=C\c2cccc(OC)c2OC)c1OC
CC(C=CC(=O)C=CC(C)c1ccccc1)c1ccccc1 |w:3.3,6.5|
CCN(CC)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)N(CC)CC)cc1
CCN(CC)C(C#N)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2C)C(C#N)N(CC)CC)c(C)c1
CNC(CO)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(CO)NC)C2=O)cc1
CC(C)(C)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)C(C)(C)C)C2=O)cc1
COc1cccc(\C=C2/CC\C(=C/c3cccc(OC)c3OC)C2=O)c1OC
CCN(CC)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(CC)CC)C2=O)cc1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
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|
[H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(C=O)=C/C=C/C1=CC(=O)O[C@H]1O |r,c:4,t:23|
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O |c:9,t:22|
[H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCCC2(C)C |r,t:9|
C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O |r,c:4,t:17,25|
CCc1c(CC2CCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(C)c(C(=O)C(N)=O)c12
CCc1c(CC2CCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(C\C=C\c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2ccc(OCCC(O)=O)cc2c1C(=O)C(N)=O
NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2)n2cccc(OCC(O)=O)c12
CCc1c(Cc2cccc(Cl)c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
NC(=O)C(=O)c1c(C2CC2)c(CC2CCCC2)n2cccc(OCC(O)=O)c12
CCc1c(Cc2ccc(cc2)-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Cc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCn3ncnn3)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccc3ccccc3c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2cccs2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2cccc3ccccc23)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2cccc(Cl)c2)n2cccc(OCn3ncnn3)c2c1C(=O)C(N)=O
NC(=O)Cc1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c12
CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1cccc(Cl)c1
CCc1c(Cc2ccccc2[N+]([O-])=O)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCCCC[C@H]1CCCC(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)C1
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1cccc2ccccc12 |c:7,10,12|
CCCC(C)Cc1c(CC)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccn12
CCc1c(Cc2csc(c2)-c2cccs2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1ccccc1-c1ccccc1
CCc1c(Cc2cccc3ccccc23)n2cccc(OCC(O)=O)c2c1C(N)=O
COc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2cccc(OC)c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCCC(O)=O)c2c1C(=O)C(N)=O
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1ccccc1-c1ccccc1 |c:7,10,12|
COC(=O)COc1cccn2c(Cc3cccc4ccccc34)c(C3CC3)c(C(=O)C(N)=O)c12
CCc1c(CC2CCCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2ccc(OCCCC(O)=O)cc2c1C(=O)C(N)=O
CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1ccccc1
CCc1c(Cc2ccccc2-c2ccccc2)n2ccc(OCC(O)=O)cc2c1C(=O)C(N)=O
Cc1c(CC2CCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
COC(=O)COc1cccn2c(CC3CCCCC3)c(C3CC3)c(C(=O)C(N)=O)c12
CCc1c(Cc2cccc(c2)-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCCCC(O)=O)c2c1C(=O)C(N)=O
Cc1c(CC2CCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c12
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2cccc(c2)C(F)(F)F)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCCCc1ccc(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)cc1
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1ccc2ccccc2c1 |c:7,10,12|
CC1C(Cc2ccccc2)N2C=CC=C(OCC(O)=O)C2=C1CC(N)=O |c:12,22,t:14|
CC1\C(=C\c2ccccc2)N2C=CC=C(OCC(O)=O)C2=C1C(N)=O |c:12,22,t:14|
CCc1c(CC2CCCCC2)n2cccc(OCCCC(O)=O)c2c1C(=O)C(N)=O
CSc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCc3ccccn3)c2c1C(=O)C(N)=O
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1ccccc1 |c:7,10,12|
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCc3ccc4ccccc4n3)c2c1C(=O)C(N)=O
CCCCCc1c(CC)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccn12
CCC(O)COc1cccn2c(Cc3cccc(Cl)c3)c(CC)c(CC(N)=O)c12
CC1C(CC(N)=O)=C2N(C=CC=C2OCCCC(O)=O)\C1=C/c1ccccc1 |c:6,9,11|
CCc1c(CCc2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(=O)NC
CCc1c(CCc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(C3CCCC3)c(C(=O)C(N)=O)c12
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCCCCC(O)=O)c2c1C(=O)C(N)=O
Cc1c(Cc2ccccc2)n2cccc(NCC(O)=O)c2c1C(N)=O
CCc1c(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCC1\C(=C\c2ccccc2Cc2ccccc2)N2C=CC=C(OCC(O)=O)C2=C1C(N)=O |c:21,31,t:23|
COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(C(C)C)c(C(=O)C(N)=O)c12
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1cccc(Cl)c1Cl |c:7,10,12|
NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCCCC(O)=O)c12
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCc3ccncc3)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2)n2cccc(OCCCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(CC(N)=O)c2c(OCCCC(O)=O)cccn2c1Cc1ccccc1-c1ccccc1
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1cccc(Cl)c1 |c:7,10,12|
COC(=O)CNc1cccn2c(Cc3ccccc3)c(C)c(C(O)=O)c12
Cc1c(CC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O |TLB:11:6:13:10.12.9,11:10:13:6.5.7|
COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(c(C(=O)C(N)=O)c12)C(C)(C)C
CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(=O)N(C)C
CCC1C(CC(N)=O)=C2N(C=CC=C2OCC(O)=O)\C1=C/c1cccc(c1)C(F)(F)F |c:7,10,12|
COC(=O)CNc1cccn2c(CC3CCCCC3)c(C)c(C(O)=O)c12
COC(=O)CCCOC1=CC=CN2C(Cc3ccccc3)C(C)C(CC(N)=O)=C12 |c:10,t:8,28|
CCc1c(Cc2ccccc2)c2ccc(OCCCC(O)=O)cn2c1C(=O)C(N)=O
CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(Cl)c1
Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1Cc1ccccc1
Cc1c(C(=O)C(N)=O)c2c(CCC(O)=O)cccc2n1Cc1ccccc1
Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccc(cc1)-c1ccccc1
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc12
Cc1c(C(=O)C(N)=O)c2c(C=CC(O)=O)cccc2n1Cc1ccccc1 |w:11.11|
CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N
Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N
Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(c1)-c1ccccc1
CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:28,36|
CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1OC(=O)Nc1ccccc1)C1=CC(=O)OC1OC(=O)Nc1ccccc1 |t:28,46|
OC1OC(=O)C(F)=C1\C=C\c1ccccc1 |c:6|
CC(=O)OC(CCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:22,30|
OC1OC(=O)C=C1C(CCCCCCCCCCC(OC(=O)Nc1ccccc1)C1=CC(=O)OC1O)OC(=O)Nc1ccccc1 |c:5,t:31|
CCCCCCCCCCCCCCC(N)CN(CC)CC
CCCCCCCCCCCCCCC(CO)NCC
CCCCCc1ccc(cc1)/C=C/C(=O)Nc2ccccc2C(=O)O
Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O
Cc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCCCCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc(C)cc2n1Cc1ccccc1
Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc(C)cc2n1Cc1ccccc1
CCCCCCCCCCCCCCOC(COC(c1ccccc1)c1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
CCCCCCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
CCCCCCCCCCCCCCOC(COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
CCCCCCCCCCCCCCOC(COCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
CCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
CCCCCCCCCCCCCCOC(COCCCCCCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1cccc(c1)-c1cc(=O)c2ccccc2o1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
O=c1cc(oc2ccc(cc12)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1)-c1ccccc1
O=c1cc(oc2ccccc12)-c1cccc(c1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccccc1
O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Oc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(Oc2cc(ccc2O)-c2cc(O)c3c(cc(O)cc3=O)o2)cc1
COC1=CC(=O)C(=O)C(C[C@@]2(C)CC[C@@]3(C)[C@@H](CCC=C3C)[C@H]2C)C1=O |r,c:19,t:2|
CC(C)Cc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(C)=O)c2c1C(=O)C(N)=O
CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OC)c2c1C(=O)C(N)=O
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1
CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@H]3[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]4CC[C@]12C |r|
CC(C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@H]3[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]4CC[C@]12C |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-c3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])ccc4c3-[#6]-[#8]-c2cc1-[#8]
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 |r,c:20|
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C4C(=NCCS4(=O)=O)C(=O)c3cc21 |r,c:21|
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:20|
C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3[C@@H](O)CCC(=O)c3cc21 |r,t:9|
C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3C(=O)CCC(O)c3cc21 |r,t:9|
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS(O)(=O)=O)c3cc21 |r|
CO[C@]12OC(O)C3=C1[C@@](C)(CCC3=O)c1cc3c(OS(O)(=O)=O)ccc(O)c3cc1C2=O |r,c:6|
CC1=C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3C2(C)CCC1 |c:1,12|
CC1=C2C(=O)Cc3cc4C(=O)C=CC(=O)c4cc3C2(C)CCC1 |c:1,11|
C[C@@]12CCC(=O)C(=CNCCc3ccccc3)C1C(=O)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 |r,w:7.7,c:29|
CCCCCNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O |r,w:6.5,c:18|
CC(C)(C)OC(=O)NCCNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O |r,w:11.10,c:23|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]=[#6]-1-[#6]2-[#6](=O)-[#6](=O)-c3cc4-[#6](=O)-[#6]=[#6]-[#6](=O)-c4cc3[C@]2([#6])[#6]-[#6]-[#6]-1=O |r,w:11.10,c:23|
COC(=O)CNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O |r,w:6.5,c:18|
CCCCCCCCCCCC(=O)N1[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)COC1=O
CCCCCCCCCCCC(=O)N[C@H](CCCC)COP([O-])(=O)OCC[N+](C)(C)C
Cc1ccc(SCCCC(CN)c2ccc(F)cc2)cc1
NCC(CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1
CC(C)(C)c1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
NC1=NN(CC1)c1cccc(c1)C(F)(F)F |t:1|
Cc1ccc(SCCCCCC(CN)c2ccc(F)cc2)cc1
Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl
NCC(CCCSc1ccc2ccccc2c1)c1ccc(F)cc1
COc1ccc(Oc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(O)=O)c(OC)c1C
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cc(=O)cc(o3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)C4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(O)=O |c:18|
COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(=O)OCOC(=O)C(C)(C)C)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC
COC1=C(C(O)=O)C(C)=C(C)C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)C1C |c:2,t:8|
COc1cc(OC)c(cc1Oc1cc(C)c(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1
COc1ccc(cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)S(=O)(=O)c1ccc(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
C[C@H](NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)OC3C(C)C(=O)C(C(O)=O)C(C)=C3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1 |c:30|
CC(NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(O)c3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)\C=C\C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(OC)c5C)c(O)c(C)c4O)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
COc1ccc(Oc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cccc(c3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |t:46|
COc1ccc(cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)S(=O)c1ccc(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(O)=O)c(OC)c1C
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)CCC(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
COC1=C(C(O)=O)C(C)=C(C)C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(OC)=C(C(O)=O)C(C)=C6C)c(OC)c5C)c(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)C1C |c:2,56,t:8,50|
CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O |c:46,t:75|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6]-[#6](-[#8]-[#6]-1)-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:15,22|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6]-[#6](-[#8]-[#6]-1-[#8])-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:15,23|
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
CC(=O)O[C@@H]1O[C@H](C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@]12C)C1=CC(=O)OC1O |r,t:30|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O[C@@H](O)[C@H]3CC[C@H]21)C1=CC(=O)OC1O |r,t:27|
CC(=O)O[C@H]1O[C@H](C[C@@H]2[C@@H]1CCC1[C@@]2(C)CCC2C(C)(C)CCC[C@]12C)C1=CC(=O)OC1O |r,t:30|
C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O |r,t:19,26|
C[C@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O |r,c:9,t:18,25|
C[C@@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CCC1=CCC(OC1)C1=CC(=O)OC1O |t:18,25|
CC1(C)CC[C@@]2(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)C(O)=O |r,c:10|
C\C(CC\C=C(\C)C=C)=C/c1cc(co1)C(O)=O