630 SMILES Strings for Hypoxia-inducible factor 1-alpha

Compound Name
SMILES String
Cn1c2cc(Oc3ccccc3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
OC(=O)CNC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(CC2CC2)c1=O
Cn1c2ccc(Oc3ccccc3)cc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2ccc(cc2c(O)c(C(=O)NCC(O)=O)c1=O)S(=O)(=O)n1ccc2ccccc12
Cn1c2cc(Oc3ccc4ccccc4c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2ccc(Oc3ccc4ccccc4c3)cc2c(O)c(C(=O)NCC(O)=O)c1=O
CN(C(c1ccccc1)c1ccccc1)C(=O)c1ccc2n(C)c(=O)c(C(=O)NCC(O)=O)c(O)c2c1
Cn1c2cc(Oc3cccc(Cl)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(Cl)cc3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cccc(F)c3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(F)cc3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3c(F)cccc3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(F)c(F)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(F)cc(F)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(F)ccc3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cccc(Cl)c3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(Cl)cc3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(Cl)ccc3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3c(F)cccc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cccc(F)c3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(Cl)c(F)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(F)cc(Cl)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(F)ccc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(F)cc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(F)c(Cl)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cccc(Cl)c3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(Cl)cc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3c(Cl)cccc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(Cl)c(Cl)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(Cl)cc(Cl)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cc(Cl)ccc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
COc1ccc(Oc2ccc3c(O)c(C(=O)NCC(O)=O)c(=O)n(C)c3c2)cc1
COc1cccc(Oc2ccc3c(O)c(C(=O)NCC(O)=O)c(=O)n(C)c3c2)c1
COc1ccccc1Oc1ccc2c(O)c(C(=O)NCC(O)=O)c(=O)n(C)c2c1
Cn1c2cc(Oc3ccccc3)c(F)cc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccccc3OC(F)(F)F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
OC(=O)CNC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(CCC2CC2)c1=O
Cn1c2cc(Oc3ccncc3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccccc3F)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3cccc(F)c3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccc(F)cc3)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
Cn1c2cc(Oc3ccccc3Cl)ccc2c(O)c(C(=O)NCC(O)=O)c1=O
COc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2cccc3ccccc23)c1O
CN(CCN(C)Cc1cccc2ccccc12)CC(=O)N\N=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
CCOc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2cccc3ccccc23)c1O
CN(CCN(C)Cc1cccc2ccccc12)CC(=O)N\N=C\c1c(O)ccc2ccccc12
CCN(CC)c1ccc(\C=N\NC(=O)CN(C)CCN(C)Cc2cccc3ccccc23)c(O)c1
CN(CCN(C)Cc1cccc(c1)C(F)(F)F)CC(=O)N\N=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
CCN(CC)c1ccc(\C=N\NC(=O)CN(C)CCN(C)Cc2cccc(c2)C(F)(F)F)c(O)c1
CN(CCN(C)Cc1cccc(c1)C(F)(F)F)CC(=O)N\N=C\c1cccc(O)c1O
CCOc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2ccc(cc2)C(C)C)c1O
CC(C)c1ccc(CN(C)CCN(C)CC(=O)N\N=C\c2c(O)ccc3ccccc23)cc1
CC(C)c1ccc(CN(C)CCN(C)CC(=O)N\N=C\c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc1
CC(C)c1ccc(CN(C)CCN(C)CC(=O)N\N=C\c2cccc(O)c2O)cc1
CC(C)c1ccc(CN(C)CCN(C)CC(=O)N\N=C\c2cc(Br)ccc2O)cc1
COc1cccc(CN(C)CCN(C)CC(=O)N\N=C\c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c1
CCN(CC)c1ccc(\C=N\NC(=O)CN(C)CCN(C)Cc2cccc(OC)c2)c(O)c1
COc1cccc(CN(C)CCN(C)CC(=O)N\N=C\c2cccc(O)c2O)c1
COc1cccc(CN(C)CCN(C)CC(=O)N\N=C\c2cc(Br)ccc2O)c1
CN(CCN(C)Cc1ccc(cc1)C#N)CC(=O)N\N=C\c1c(O)ccc2ccccc12
CN(CCN(C)Cc1ccc(cc1)C#N)CC(=O)N\N=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
COc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2ccc(cc2)C#N)c1O
CCOc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2ccc(cc2)C#N)c1O
CCN(CC)c1ccc(\C=N\NC(=O)CN(C)CCN(C)Cc2ccc(cc2)C#N)c(O)c1
COc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2ccc(cc2)C(C)(C)C)c1O
CCOc1cccc(\C=N\NC(=O)CN(C)CCN(C)Cc2ccc(cc2)C(C)(C)C)c1O
CCN(CC)c1ccc(\C=N\NC(=O)CN(C)CCCN(C)Cc2ccc(cc2)C(C)(C)C)c(O)c1
c1ccc(nc1)-c1ccccn1
CC1=CC(=O)N(C(=C1)C2CCCCC2)O
Oc1c(ccc2cccnc12)C(N1CCCCC1)c1ccncc1
Cc1ccc2ccc(C(Nc3ccccn3)c3cccnc3)c(O)c2n1
Cc1cccc(NC(c2ccccn2)c2ccc3ccc(C)nc3c2O)n1
Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
Oc1cccnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
COc1ccc(cc1OC)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
Cc1ccnc(NC(c2ccc3OCOc3c2)c2ccc3cccnc3c2O)c1
Cc1cccc(NC(c2ccc3OCOc3c2)c2ccc3ccc(C)nc3c2O)n1
CCCCC(=O)NC(c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O
COc1ccc(cc1OC)C(NC(=O)CC(C)C)c1ccc2cccnc2c1O
COc1ccc(cc1OC)C(NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O
CCCCC(=O)NC(c1cccc(c1)N(=O)=O)c1ccc2cccnc2c1O
CCC(=O)NC(c1ccc2OCOc2c1)c1cc(c2cccnc2c1O)N(=O)=O
CCCCCC1=C(NCC)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:14,23|
CCCCCNC1=C(CCCCC)C(=O)C(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C1=O |r,c:6,t:16,19|
CCCCCC1=C(NCC(C)C)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:16,25|
CCCCCC1=C(NCCCC)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:16,25|
CCCCCC1=C(NC)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:13,22|
CCCCCC1=C(NC(C)C)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:15,24|
CCCCCC1=C(NCc2ccccc2)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:20,29|
CCCCCC1=C(NCC(C)(C)C)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:17,26|
CCCCCC1=C(NCCC(C)C)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,c:5,t:17,26|
COc1ccc(cc1OC)C(C)C(=O)c1ccc(O)cc1OC |w:10.11|
COc1ccc(C(=O)C(C)c2ccc(OC)c(OC)c2)c(OC)c1 |w:8.8|
CCOc1ccc(C(=O)C(C)c2ccc(OC)c(OC)c2)c(OC)c1 |w:9.9|
COc1ccc(cc1OC)C(C)C(=O)c1ccc(OC2CCCCC2)cc1OC |w:10.11|
COc1ccc(cc1OC)C(C)C(=O)c1ccc(cc1OC)N(C)C
COc1ccc(cc1OC)C(C)C(=O)c1ccc(cc1OC)N1CCCC1
COc1ccc(cc1OC)C(C)C(=O)c1ccc(cc1OC)N1CCCCC1
COc1ccc(cc1OC)C(C)C(=O)c1ccc(cc1OC)N1CCOCC1
COc1ccc(cc1OC)C(C)C(=O)c1ccc(NCc2ccccc2)cc1OC
COc1ccc(cc1OC)C(C)C(=O)c1ccc(NCc2ccc(cc2)C#N)cc1OC
COc1ccc(cc1OC)C(C)C(=O)c1ccc(cc1)N1CCOCC1
CC(C(=O)c1ccc(cc1)N1CCCCC1)c1ccccc1F
CC(C(=O)c1ccc(NCc2ccccc2)cc1)c1ccccc1F
COc1cc(ccc1C(=O)C(C)c1ccccc1F)N1CCCCC1
COc1cc(NCc2ccc(cc2)C#N)ccc1C(=O)C(C)c1ccccc1F
CCCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
COC(=O)c1ccc(OC)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2ccc(C=C)cc2)c1
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2ccc(Cl)cc2)c1
CO\N=C\c1ccc(OC)c(OCc2ccccc2\C(=N/OC)C(=O)OC)c1
CO\N=C(/C)c1cccc(OCc2ccccc2\C(=N/OC)C(=O)OC)c1
CO\N=C\c1cccc(OCc2ccccc2\C(=N/OC)C(=O)OC)c1
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCC#N)c1
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCc2ccccc2)c1
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(O)c1
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccc(F)cc1 |c:11|
CCOc1ccc(C(=O)C(C)c2ccc(OC)c(OC)c2)c(OC)c1
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1cccc(O)c1 |c:11|
COc1ccc(NC(=O)c2ccc3OC(C)(C)C=Cc3c2OC)cc1OC |c:17|
COc1ccc(cc1OC)C(C)C(=O)c1ccc(cc1)N1CCCC1
COc1ccc(C(=O)C(C)c2ccc(OC)c(OC)c2)c(OC)c1
COc1ccc(cc1OC)N(Cc1ccccc1)C(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:30|
CCN(C(=O)c1ccc2OC(C)(C)C=Cc2c1OC)c1ccc(OC)c(OC)c1 |c:13|
COc1ccc(CC(OC(C)=O)c2ccc3OC(C)(C)C=Cc3c2OC)cc1OC |c:20|
COc1ccc(CC(O)c2ccc3OC(C)(C)C=Cc3c2OC)cc1OC |c:17|
COc1ccc(cc1OC)C(F)C(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:23|
COc1ccc(cc1OC)C(C)C(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:23|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccc(O)cc1 |c:11|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccccc1F |c:11|
COc1ccc(CC(=O)c2ccc3OC(C)(C)C=Cc3c2OC)cc1 |c:17|
COc1cccc(CC(=O)c2ccc3OC(C)(C)C=Cc3c2OC)c1 |c:18|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccc(Cl)c(Cl)c1 |c:11|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccc(F)c(F)c1 |c:11|
COc1ccc(CC(=O)c2ccc3OC(C)(C)C=Cc3c2OC)cc1OC |c:17|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccc2OCOc2c1 |c:11|
COc1ccc(cc1OC)C(C)C(=O)c1ccc(O)cc1OC
COc1ccc(cc1OC)C(Cc1ccccc1)C(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:30|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccc2OCCOc2c1 |c:11|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1cccc(F)c1 |c:11|
COc1ccc(cc1OC)C(C)C(=O)c1ccc(OC2CCCCC2)cc1OC
COc1ccc(cc1OC)N(C)C(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:23|
COc1ccc(cc1OC)C(CC=C)C(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:25|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccccc1O |c:11|
COc1ccccc1CC(=O)c1ccc2OC(C)(C)C=Cc2c1OC |c:20|
COc1c(ccc2OC(C)(C)C=Cc12)C(=O)Cc1ccccc1 |c:11|
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1
CC1(C)Oc2cc3oc(cc3cc2C[C@H]1O)-c1cc(O)cc(O)c1 |r|
[H][C@]12CC(C)=C[C@@]3([H])c4c(O)cc(cc4O[C@](Oc4cc(O)ccc14)(c1ccc(O)cc1O)[C@@]23[H])-c1cc2ccc(O)cc2o1 |r,c:4|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2)c1-[#8])-c1ccc(-[#8])cc1-[#8] |r,w:30.31,c:20|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2-[#8])c1-[#8])-c1ccc(-[#8])cc1-[#8] |r,w:30.31,c:20|
[#6]\[#6](-[#6])=[#6]/[#6][C@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])c2-[#8])-c2ccc(-[#8])cc2)c1-[#8] |r,c:17|
COc1c(O)cc2oc(cc2c1CC(=O)C(C)C)-c1cc(O)cc(O)c1
[H][C@]12CC(=C[C@](C)(C1)Oc1cc(O)ccc21)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |r,c:3|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2)c1-[#8])-c1ccc(-[#8])cc1 |r,w:30.31,c:20|
Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1
[#6]\[#6](-[#6])=[#6]/[#6][C@@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13|
CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,25,t:17,23,36|
COc1cc(\C=C\c2ccc(OC)c(O)c2)oc(=O)c1
COc1cc(O)cc2OC(=O)\C(=C\c3ccc(O)cc3)c12
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C |r,c:8|
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:22|
CN1CCN(CCOc2cccc(Cn3nc(-c4nc(no4)-c4ccc(OC(F)(F)F)cc4)c4ccccc34)c2)CC1
COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1CC[C@H](C1)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC)c(OC)c1 |r|
OC1CCN(CCOc2cccc(Cn3nc(-c4nc(no4)-c4ccc(OC(F)(F)F)cc4)c4ccccc34)c2)CC1
COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@@H]1CCN(C1)c1ccc(OC)c(OC)c1 |r|
COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,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|
Fc1ccccc1CCNC(=O)c1ccc(cn1)-c1cccs1
Clc1ccccc1CCNC(=O)c1ccc(cc1)-c1ccccc1
O=C(NCCc1ccncc1)c1ccc(cn1)-c1ccccc1
O=C(NCCc1ccncc1)c1nccc(n1)-c1ccccc1
Fc1ccccc1CCNC(=O)c1ccc(cn1)-c1ccccc1
Nc1ccc(CCNC(=O)c2ccc(cn2)-c2ccccc2)cc1
Fc1ccccc1CCNC(=O)c1ccc(cn1)-c1ccccc1F
COc1ccccc1-c1ccc(nc1)C(=O)NCCc1ccccc1F
Fc1ccccc1CCNC(=O)c1ccc(cn1)-c1ccccc1C#N
Cc1nc(cs1)C(=O)NCCc1ccccc1
O=C(NCCc1ccncc1)c1nnc(o1)-c1ccccc1
O=C(NCCc1ccccc1)c1ccc(cn1)-c1ccccc1
Fc1ccccc1CCNC(=O)c1ccc(cn1)-c1ccsc1
Clc1ccccc1CCNC(=O)c1ccc(cn1)-c1ccccc1
Clc1cccc(CCNC(=O)c2ccc(cn2)-c2ccccc2)c1
Fc1ccccc1CCNC(=O)c1ccc(cn1)-c1ccoc1
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
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCc3c(Cl)cccc3Cl)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccccc1Br)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC\C(=N/NC(N)=S)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OC)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCC)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCc3cccc(Cl)c3)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCc3ccc(F)cc3)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCc3ccc(C)cc3)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccccc1Cl)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1cccc(Cl)c1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccc(F)cc1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1cccc(Br)c1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1c(Cl)cccc1Cl)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccc(C)cc1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccco1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1cccs1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCCC)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccccc1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1cccc3ccccc13)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCc3ccc(Cl)cc3)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccc(Cl)cc1Cl)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC\C(=N/NC(N)=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCc3ccc(Cl)cc3Cl)[C@@]1(C)CC\C(=N/NC(N)=N)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccc(Cl)cc1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1cccc(F)c1)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccc(cc1)[N+]([O-])=O)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C\C(=C/c1ccccc1F)\C(=N/NC(N)=N)\C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3ccccc3-c3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3cccc(c3)-c3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CC[C@H](OC(=O)CCC)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CC[C@H](OC(=O)C(F)(F)F)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3ccc(cc3)-c3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3cccc(c3)-c3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3ccc(cc3)-c3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3cccc(c3)-c3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3ccc(cc3)-c3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCn3nnnc3-c3ccc4OCOc4c3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCn3nnnc3-c3ccccc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCn3nnnc3-c3ccc4OCOc4c3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCn3nnnc3-c3ccc(Cl)cc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3ccccc3-c3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3ccccc3-c3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCn3nnnc3-c3ccccc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCNc3ccc(cc3)-c3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCn3nnnc3-c3ccc(Cl)cc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CC[C@H](OC(=O)c1ccccc1)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)Nc3nnn[nH]3)[C@@]1(C)CC\C(=N/Nc1ccccc1)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3cccc(c3)-c3nnn[nH]3)[C@@]1(C)CCC(=O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCn3ncn(-c4ccccc4)c3=O)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3ccccc3-c3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCn3nnnc3-c3ccc(OC)cc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCn3nnnc3-c3ccc(OC)cc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCCCNc3nnn[nH]3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
Cc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1
[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2Nc1ccc(cc1)[N+]([O-])=O |r|
C[n+]1c2cc(N)ccc2cc2ccc(N)cc12
CC(C)C[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O)C(C)C |r|
[O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 |c:7|
OCc1ccc(o1)-c1nn(Cc2ccccc2)c2ccccc12
O=C1c2ccccc2-c2cn[nH]c12
Oc1ccc(cc1)-n1ncc2-c3ccccc3C(=O)c12
Cn1ncc2-c3ccccc3C(=O)c12
Cc1nn(c2C(=O)c3ccccc3-c12)-c1ccccc1
FC(F)(F)c1ccc(cc1)-n1ncc2-c3ccccc3C(=O)c12
COc1ccc(cc1)-n1ncc2-c3ccccc3C(=O)c12
Cc1ccc(cc1)-n1ncc2-c3ccccc3C(=O)c12
O=C1c2ncccc2-c2cnn(c12)-c1ccccc1
O=C1c2ccccc2-c2cnn(c12)-c1ccccc1
C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)O)C
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccccc4F)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4cccc(F)c4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccc(F)cc4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccccc4Cl)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4cccc(Cl)c4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccc(Cl)cc4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccccc4C)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4cccc(C)c4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccc(C)cc4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4cccc(c4)[N+]([O-])=O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccc(F)cc4F)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@@H](C[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)OC(=O)Cn1nnnc1-c1ccccc1)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@@H](C[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)OC(=O)Cn1nnnc1-c1ccc(Cl)cc1)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@@H](C[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)OC(=O)Cn1nnnc1-c1ccc(OC)cc1)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@@H](C[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)OC(=O)Cn1nnnc1-c1ccc2OCOc2c1)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@@H](C[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)OC(=O)CNc1nnn[nH]1)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@@H](C[C@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]21C)OC(=O)CNc1cccc(c1)-c1nnn[nH]1)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccccc4F)\C(=N/NC(N)=O)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4cccc(F)c4)\C(=N/NC(N)=O)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(F)cc4)\C(=N/NC(N)=O)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(Cl)cc4)\C(=N/NC(N)=O)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(C)cc4)\C(=N/NC(N)=O)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(F)cc4)\C(=N/NC(N)=S)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(Cl)cc4)\C(=N/NC(N)=S)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(C)cc4)\C(=N/NC(N)=S)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(F)cc4)\C(=N/NC(N)=N)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(O)cc4)\C(=N/NC(N)=N)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(C)cc4)\C(=N/NC(N)=N)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C\C(=C/c4ccc(OC)cc4)\C(=N/NC(N)=N)\C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC\C(=N/Nc4ccc(Cl)cc4Cl)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@]1(C)CCCC(C)(C)O1 |r|
OC(C(=O)n1cc(c(c1)-c1ccc(O)cc1)-c1ccc(O)cc1)c1ccc(O)cc1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccccc2Br)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2cccc(Br)c2)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(F)cc2)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2cccc(c2)C(F)(F)F)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)cc2)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccccc2)c1
CC(C)c1ccc(NC(=O)c2ccn(Cn3cc(cn3)[N+]([O-])=O)n2)cc1
COc1ccc(NC(=O)c2ccn(Cn3cc(cn3)[N+]([O-])=O)n2)cc1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
Oc1ccccc1NC(=O)c1ccn(Cn2cc(cn2)[N+]([O-])=O)n1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)cc2Cl)c1
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(F)cc2F)c1
Brc1ccc(NC(=O)c2ccn(Cn3cccn3)n2)cc1
[O-][N+](=O)c1cn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)cn1
Brc1ccc(NC(=O)c2ccn(Cn3ccnc3)n2)cc1
[O-][N+](=O)c1ccn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
CC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
CC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
CCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
CCCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
FC(F)(F)c1ccc(NC(=O)c2ccn(Cn3cc(NC(=O)Cc4ccccc4)cn3)n2)cc1
CC(C)C(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
CCCNc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NC(c1ccccc1)P(=O)(OCC)OCC |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NC(c1ccc(F)cc1)P(=O)(OCC)OCC |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NC(c1ccc(C)cc1)P(=O)(OCC)OCC |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NC(c1ccc(OC)cc1)P(=O)(OCC)OCC |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NCc1cn(nn1)-c1ccccc1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NCc1cn(nn1)-c1ccc(C)cc1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NCc1cn(nn1)-c1ccc(OC)cc1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NCc1cn(nn1)-c1ccc(Cl)cc1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)NCc1cn(nn1)-c1ccc(Cl)c(Cl)c1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1cnc2ccccc2c1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1ccnc2ccccc12 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1cccc2ncccc12 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1ccc2ncccc2c1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1cccc2cccnc12 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOc1cnc2ccccc2c1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOc1cccc2ncccc12 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOc1ccc2cccnc2c1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1ccncc1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1ccc(F)cn1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1ccc(F)nc1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC(=O)Nc1cc(C)on1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOc1cc(C)oc(=O)c1 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOc1cc(=O)oc2ccccc12 |r,c:24,t:14,16,19|
[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOc1ccc2ccc(=O)oc2c1 |r,c:24,t:14,16,19|
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
O=C(Nc1ccccc1)c1noc2ccccc12
O=C(NC1CCCCC1)c1noc2ccccc12
O=C(Nc1ccncc1)c1noc2ccccc12
O=C(Nc1ccccn1)c1noc2ccccc12
[O-][N+](=O)c1cccc(NC(=O)c2noc3ccccc23)c1
CN(C)c1cccc(NC(=O)c2noc3ccccc23)c1
CN(C)c1ccc(NC(=O)c2noc3ccccc23)cc1
COc1ccccc1NC(=O)c1noc2ccccc12
COc1cccc(NC(=O)c2noc3ccccc23)c1
COc1ccc(NC(=O)c2noc3ccccc23)cc1
Clc1ccccc1NC(=O)c1noc2ccccc12
Clc1cccc(NC(=O)c2noc3ccccc23)c1
Clc1ccc(NC(=O)c2noc3ccccc23)cc1
O=C(Nc1ccc2ccccc2c1)c1noc2ccccc12
O=C(Nc1cccc(c1)-c1ccccc1)c1noc2ccccc12
CCn1c2ccccc2c2cc(NC(=O)c3noc4ccccc34)ccc12
COC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1
O=C(Nc1ccc2scnc2c1)c1noc2ccccc12
O=C(Nc1ccc2C(=O)CCCc2c1)c1noc2ccccc12
CC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1
CC(=O)c1ccc(NC(=O)c2noc3ccccc23)cc1
NC(=O)c1cncc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
OC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,16:19:22:26.25.24|
OC(=O)c1cncc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cncc(c1)C(=O)NCCc1ccncc1 |TLB:7:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
NC(=O)c1ccnc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cc(ccn1)C(=O)NCc1ccco1 |TLB:7:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cc(ccn1)C(=O)NCCCn1ccnc1 |TLB:7:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Clc1ccc(NC(=O)c2ccnc(NC(=O)COc3ccc(cc3)C34CC5CC(CC(C5)C3)C4)c2)cc1 |TLB:21:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|
COC(=O)c1cncc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,17:20:23:27.26.25|
OC(=O)c1ccnc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
COC(=O)c1ccnc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cc(ccn1)C(=O)NCCc1ccncc1 |TLB:7:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cncc(c1)C(=O)NCc1ccco1 |TLB:7:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cncc(c1)C(=O)NCCCn1ccnc1 |TLB:7:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
C[C@H](CC[C@@H]1[C@@H](C)[C@@]2(C)CC[C@]1(C)O2)[C@H]1CCC(C)=C[C@H]1O |c:20|
C[C@@H](CC[C@@H]1[C@@H](C)[C@@]2(C)CC[C@]1(C)O2)[C@H]1CCC(C)=C[C@H]1O |c:20|
C[C@@H](CC[C@@H]1[C@@H](C)[C@@]2(C)CC[C@]1(C)O2)[C@H]1CCC(C)=C[C@@H]1O |c:20|
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C
CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)S(=O)(=O)CC(C)C
CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(C)(=O)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCC(N)=O)C(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)S(=O)(=O)CC(C)C
COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1O)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
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[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
Cc1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
CCc1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)-c2ccccc2)c1
CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)C2CCCCC2)c1
CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)B2OC(C)(C)C(C)(C)O2)cc1
Cc1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
CCc1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)-c2ccccc2)c1
OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C2CCCCC2)c1
CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)B(O)O)cc1
OC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
CC1(C)OB(OC1(C)C)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:26:29:33.31.32,THB:31:30:27:33.32.34,31:32:29.30.35:27,34:32:29:35.26.27,34:26:29:33.31.32|
OB(O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
FC(F)(F)c1cc(OCC=C)nc(n1)-c1ccc(NC(=O)CCl)cn1
COc1cc(nc(n1)-c1ccc(NC(=O)CCl)cn1)C(F)(F)F
Cc1nc([nH]c(=O)c1Cc1ccccc1)-c1ccc(NC(=O)CCl)cn1
Cc1nc([nH]c(=O)c1Cl)-c1ccc(NC(=O)CCl)cn1
CCc1c(C)nc([nH]c1=O)-c1ccc(NC(=O)CCl)cn1
ClCC(=O)Nc1ccc(nc1)-c1nc(CCl)cc(=O)[nH]1
Nc1ccc(nc1)-c1nc(CCl)cc(=O)[nH]1
Cc1nc([nH]c(=O)c1F)-c1ccc(NC(=O)CCl)cn1
FC(F)(F)c1cc(=O)[nH]c(n1)-c1ccc(NC(=O)CCl)cn1
Cc1nc(nc(OCC=C)c1Cl)-c1ccc(NC(=O)CCl)cn1
CCOc1cc(nc(n1)-c1ccc(NC(=O)CCl)cn1)C(F)(F)F
FC(F)(F)c1cc(Cl)nc(n1)-c1ccc(NC(=O)CCl)cn1
CCc1c(C)nc(nc1OCC=C)-c1ccc(NC(=O)CCl)cn1
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|
Nc1ccc(nc1)-c1nc(cc(=O)[nH]1)C(F)(F)F
Cc1nc([nH]c(=O)c1Cl)-c1ccc(N)cn1
Cc1nc([nH]c(=O)c1C)-c1ccc(N)cn1
CCc1c(C)nc([nH]c1=O)-c1ccc(N)cn1
Cc1nc([nH]c(=O)c1Cc1ccccc1)-c1ccc(N)cn1
Cc1nc([nH]c(=O)c1F)-c1ccc(N)cn1
Cc1nc([nH]c(=O)c1C)-c1ccc(NC(=O)CCl)cn1
FC(F)(F)c1cc(=O)[nH]c(n1)-c1ccc(NC(=O)C(F)(F)Cl)cn1
CCc1c(C)nc(nc1OCC=C)-c1ccc(N)cn1
Nc1ccc(nc1)-c1nc(OCC=C)cc(n1)C(F)(F)F
COc1cc(nc(n1)-c1ccc(N)cn1)C(F)(F)F
Cc1nc(nc(OCC=C)c1Cl)-c1ccc(N)cn1
CCOc1cc(nc(n1)-c1ccc(N)cn1)C(F)(F)F
Oc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1
Oc1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
Oc1ccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
COc1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1
COc1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
COc1ccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
OC(=O)c1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1
OC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
OC(=O)c1ccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
COC(=O)c1ccccc1CNc1ccc(NC(=O)Nc2ccccc2)cc1
COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
COC(=O)c1ccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
COc1cccc(OC)c1CNc1ccc(NC(=O)Nc2ccccc2)cc1
COc1cc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1
COc1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1OC
COc1ccc(OC)c(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
COC(=O)c1ccc(OC)c(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1
COC(=O)c1cc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc(c1)C(=O)OC
CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
CC1(C)Oc2cc(OC(=O)c3ccc(F)cc3F)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3cccc(c3)C#N)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3ccc(cc3)-c3cccc(c3)[N+]([O-])=O)ccc2CC1O
COc1cccc(c1)-c1ccc(cc1)C(=O)Oc1ccc2CC(O)C(C)(C)Oc2c1
CC1(C)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3cccc(OCc4ccccc4)c3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)cc3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3ccc(O)cc3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3ccc(O)c(O)c3)ccc2CC1O
CC1(C)Oc2cc(OC(=O)c3cc(O)cc(O)c3)ccc2CC1O
CC(C)(O)C1Cc2ccc(OC(=O)c3ccc(cc3)-c3cccc(c3)[N+]([O-])=O)cc2O1
COc1cccc(c1)-c1ccc(cc1)C(=O)Oc1ccc2CC(Oc2c1)C(C)(C)O
CC(C)(O)C1Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2O1
CC(C)(O)C1Cc2ccc(OC(=O)c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc2O1
CC(C)(O)C1Cc2ccc(OC(=O)c3cc(O)cc(O)c3)cc2O1
CC(C)(O)[C@H]1Cc2cc3cc(oc3cc2O1)-c1ccc(O)cc1 |r|
Cn1cncc1-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccncc1
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cc(F)cc(F)c1
Cc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccccc1
COc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
COc1cccc(c1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
COc1ccccc1-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccc(OCc2ccccc2)cc1
CCOC(=O)COc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cccc(O)c1
COc1cc(OC)cc(c1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
CC(C)(O)[C@H]1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1 |r|
CCOC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCC)CC1 |(-1.33,-7.32,;,-6.55,;,-5.01,;1.33,-4.24,;2.67,-5.01,;1.33,-2.7,;2.67,-1.93,;2.67,-.39,;1.33,.38,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-5.33,4.23,;-4,5,;-2.67,4.23,;-1.33,5,;-1.33,6.54,;,4.23,;1.33,5.01,;1.33,6.55,;2.67,7.32,;4,6.54,;4,5,;2.67,4.23,;2.67,2.69,;4,1.92,;5.33,2.69,;,-.38,;,-1.93,)|
CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccccc2)nc2ccccc2c1=O |(5.33,2.7,;4,1.93,;2.67,2.69,;2.67,4.24,;4,5.01,;4,6.54,;2.67,7.32,;1.33,6.55,;1.33,5.01,;,4.23,;,2.7,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;1.33,-2.7,;2.67,-1.93,;2.67,-.39,;1.33,-4.24,;2.67,-5.01,;,-5.01,;-1.33,-4.24,;-2.67,-5.01,;-2.67,-6.55,;-1.33,-7.32,;,-6.55,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-5.33,4.24,;-4,5.01,;-2.67,4.24,;-1.33,5.01,;-1.33,6.54,)|
CCOc1ccccc1-n1c(CN2CCOCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.24,;1.33,2.7,;,1.93,;,.38,;1.33,-.38,;1.33,-1.93,;2.67,-2.7,;2.67,-4.23,;1.33,-5.01,;,-4.23,;,-2.7,;-1.33,-.38,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
CCOc1ccccc1-n1c(CN2CCN(CC2)C(C)=O)nc2ccccc2c1=O |(5.33,1.54,;4,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;2.67,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-5.39,;2.67,-6.16,;,-6.16,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,)|
CCOc1ccccc1-n1c(CN2CCCNCC2)nc2ccccc2c1=O |(5.33,.53,;4,-.24,;2.67,.53,;2.67,2.07,;4,2.84,;4,4.38,;2.67,5.15,;1.33,4.38,;1.33,2.84,;,2.07,;,.53,;1.33,-.24,;1.33,-1.78,;2.72,-2.45,;3.06,-3.95,;2.1,-5.15,;.56,-5.15,;-.4,-3.95,;-.05,-2.45,;-1.33,-.24,;-2.67,.53,;-4,-.24,;-5.33,.53,;-5.33,2.07,;-4,2.84,;-2.67,2.07,;-1.33,2.84,;-1.33,4.38,)|
CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.7,;,1.93,;,.38,;1.33,-.39,;1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2cccc(C)c2c1=O |(5.33,2.47,;4,1.7,;2.67,2.47,;2.67,4.01,;4,4.78,;4,6.32,;2.67,7.09,;1.33,6.32,;1.33,4.78,;,4.01,;,2.47,;1.33,1.7,;1.33,.16,;,-.61,;,-2.15,;1.33,-2.92,;2.67,-2.15,;2.67,-.61,;1.33,-4.46,;2.67,-5.23,;,-5.23,;-1.41,-4.61,;-2.44,-5.75,;-1.67,-7.09,;-.16,-6.77,;-1.33,1.7,;-2.67,2.47,;-4,1.7,;-5.33,2.47,;-5.33,4.01,;-4,4.78,;-4,6.32,;-2.67,4.01,;-1.33,4.78,;-1.33,6.32,)|
CCOc1ccccc1-n1c(CC2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O |(5.33,2.47,;4,1.7,;2.67,2.47,;2.67,4.01,;4,4.78,;4,6.32,;2.67,7.09,;1.33,6.32,;1.33,4.78,;,4.01,;,2.47,;1.33,1.7,;1.33,.16,;2.67,-.61,;2.67,-2.15,;1.33,-2.92,;,-2.15,;,-.61,;1.33,-4.46,;2.67,-5.23,;,-5.23,;-1.41,-4.61,;-2.44,-5.75,;-1.67,-7.09,;-.16,-6.77,;-1.33,1.7,;-2.67,2.47,;-4,1.7,;-5.33,2.47,;-5.33,4.01,;-4,4.78,;-2.67,4.01,;-1.33,4.78,;-1.33,6.32,)|
CCOc1ccccc1-n1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O |(5.33,2.69,;4,1.92,;2.67,2.69,;2.67,4.23,;4,5,;4,6.54,;2.67,7.32,;1.33,6.55,;1.33,5,;,4.23,;,2.69,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;1.33,-2.7,;1.33,-4.24,;2.67,-5.01,;2.67,-6.55,;4,-7.32,;5.33,-6.55,;5.33,-5.01,;4,-4.23,;2.67,-1.93,;2.67,-.39,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-5.33,4.23,;-4,5,;-2.67,4.23,;-1.33,5.01,;-1.33,6.54,)|
CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O |(-1.34,-9.62,;-2.67,-8.85,;-2.67,-7.31,;-4.01,-6.54,;-5.34,-7.31,;-6.67,-6.54,;-6.67,-5,;-5.34,-4.23,;-4.01,-5,;-2.67,-4.23,;-2.67,-2.69,;-4.01,-1.92,;-4.01,-.38,;-5.34,.39,;-5.34,1.93,;-4.01,2.7,;-2.67,1.93,;-2.67,.39,;-4.01,4.24,;-5.34,5.01,;-2.67,5.01,;-2.51,6.54,;-1,6.86,;-.23,5.53,;-1.27,4.38,;-1.34,-1.92,;-0,-2.69,;1.33,-1.92,;2.66,-2.69,;2.66,-4.23,;1.33,-5,;-0,-4.23,;-1.34,-5,;-1.34,-6.54,)|
CCOc1ccccc1-n1c(CN2CCN(C)CC2)nc2ccccc2c1=O |(5.33,1.15,;4,.38,;2.67,1.15,;2.67,2.69,;4,3.46,;4,5,;2.67,5.78,;1.33,5,;1.33,3.47,;,2.69,;,1.16,;1.33,.38,;1.33,-1.16,;,-1.93,;,-3.47,;1.33,-4.24,;1.33,-5.78,;2.67,-3.47,;2.67,-1.93,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-4,3.46,;-2.67,2.7,;-1.33,3.47,;-1.33,5,)|
COc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O |(4.66,1.69,;3.33,2.46,;3.33,4,;4.67,4.77,;4.67,6.31,;3.34,7.08,;2,6.31,;2,4.77,;.67,4.01,;.66,2.47,;2,1.69,;1.99,.15,;.66,-.61,;.65,-2.15,;1.99,-2.93,;3.32,-2.16,;3.32,-.62,;1.98,-4.47,;3.32,-5.24,;.65,-5.23,;-.76,-4.6,;-1.79,-5.75,;-1.02,-7.08,;.48,-6.76,;-.67,1.7,;-2,2.47,;-3.34,1.7,;-4.67,2.48,;-4.67,4.02,;-3.33,4.78,;-2,4.01,;-.67,4.78,;-.66,6.32,)|
COc1ccc(cc1-n1c(CN2CCNCC2)nc2ccccc2c1=O)C(F)(F)F |(4.67,-1.92,;3.33,-1.15,;3.33,.39,;4.67,1.16,;4.67,2.7,;3.33,3.47,;2,2.7,;2,1.16,;.67,.39,;.67,-1.15,;2,-1.92,;2,-3.46,;.67,-4.24,;.67,-5.77,;2,-6.55,;3.33,-5.78,;3.33,-4.23,;-.67,-1.93,;-2,-1.16,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.39,;-3.33,1.16,;-2,.39,;-.67,1.16,;-.67,2.7,;3.33,5.01,;2,5.78,;4.67,5.78,;3.33,6.55,)|
COc1ccc(cc1-n1c(CN2CCNCC2)nc2ccccc2c1=O)[N+]([O-])=O |(4.67,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;2,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.39,;3.33,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;3.33,5.39,;4.67,6.16,;2,6.16,)|
CCNc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.7,;,1.93,;,.38,;1.33,-.39,;1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
O=c1n(c(CN2CCNCC2)nc2ccccc12)-c1ccccc1OCc1ccccc1 |(-2.67,4.23,;-2.67,2.7,;-1.33,1.93,;-1.33,.38,;,-.39,;,-1.93,;-1.33,-2.7,;-1.33,-4.23,;,-5.01,;1.33,-4.24,;1.33,-2.7,;-2.67,-.39,;-4,.38,;-5.33,-.39,;-6.67,.38,;-6.67,1.93,;-5.33,2.7,;-4,1.93,;,2.7,;,4.23,;1.33,5.01,;2.67,4.23,;2.67,2.7,;1.33,1.93,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.7,;4,1.93,)|
CC(C)COc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(6,-.38,;4.67,.38,;4.67,1.93,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.7,;3.33,4.23,;2,5.01,;.67,4.23,;.67,2.7,;-.67,1.93,;-.67,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-.67,-4.23,;.67,-5.01,;2,-4.24,;2,-2.7,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.93,;-4.67,2.7,;-3.33,1.93,;-2,2.7,;-2,4.23,)|
CCSc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.7,;,1.93,;,.38,;1.33,-.39,;1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
COc1c(ccc2OC(C)(C)C=Cc12)C(C)n1cnc2ncccc12 |c:11|
Cc1cccc(Nc2nc(nnc2-c2ccccc2)-c2ccccn2)n1
N(c1cnc2ccccc2n1)c1nc(nnc1-c1ccccc1)-c1ccccn1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1ccccc1
Cc1ccccc1CNc1nc(nnc1-c1ccccc1)-c1ccccn1
Cc1cccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)c1
Cc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
C[C@H](Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
C[C@@H](Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCOCC1
C(Cc1ccccc1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
C(Cc1ccccn1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
Cc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1C
Clc1cccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)c1
COc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
COc1cccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)c1
CC(C)(C)c1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1cccnc1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1ccccn1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1cccc(c1)-c1ccccc1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)c1ccc(cc1)-c1ccccc1
O=C(NCCCn1ccnc1)c1cc(on1)-c1ccccc1
OCCCCNC(=O)c1cc(on1)-c1ccccc1
O=C(NCC1CC1)c1cc(on1)-c1ccccc1
C=CCNc1nc(nnc1-c1ccccc1)-c1ccccn1
CN(C)c1nc(nnc1-c1ccccc1)-c1ccccn1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CC1
C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
CC(C)(C)CCNc1nc(nnc1-c1ccccc1)-c1ccccn1
OCCCNc1nc(nnc1-c1ccccc1)-c1ccccn1
C(CN1CCOCC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
C(CNc1nc(nnc1-c1ccccc1)-c1ccccn1)CN1CCOCC1
OCC1CCN(CC1)c1nc(nnc1-c1ccccc1)-c1ccccn1
CN1CCN(CC1)c1nc(nnc1-c1ccccc1)-c1ccccn1
O=C(NCCCN1CCOCC1)c1cc(on1)-c1ccccc1
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
CCCCNC(=O)c1cc(on1)-c1ccc(F)cc1
O=C(Nc1cccc(c1)C(=O)NCCCn1ccnc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:26:29:32:36.34.35,THB:34:33:30:36.35.37,34:35:32.33.38:30,37:35:32:38.29.30,37:29:32:36.34.35|
O=C(Nc1cccc(c1)C(=O)NCCN1CCOCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:26:29:32:36.34.35,THB:34:33:30:36.35.37,34:35:32.33.38:30,37:35:32:38.29.30,37:29:32:36.34.35|
O=C(Nc1cccc(c1)C(=O)NCCc1ccncc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:26:29:32:36.34.35,THB:34:33:30:36.35.37,34:35:32.33.38:30,37:35:32:38.29.30,37:29:32:36.34.35|
CC(C)NC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:20:23:26:30.28.29,THB:28:27:24:30.29.31,28:29:26.27.32:24,31:29:26:32.23.24,31:23:26:30.28.29|
O=C(Nc1cccc(c1)C(=O)NCc1ccco1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:24:27:30:34.32.33,THB:32:31:28:34.33.35,32:33:30.31.36:28,35:33:30:36.27.28,35:27:30:34.32.33|
NC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
O=C(Nc1cccc(c1)C(=O)OCCN1CCOCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:26:29:32:36.34.35,THB:34:33:30:36.35.37,34:35:32.33.38:30,37:35:32:38.29.30,37:29:32:36.34.35|
O=C(Nc1cccc(c1)C(=O)OCCN1CCCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:25:28:31:35.33.34,THB:33:32:29:35.34.36,33:34:31.32.37:29,36:34:31:37.28.29,36:28:31:35.33.34|
CN(C)CCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:22:25:28:32.30.31,THB:30:29:26:32.31.33,30:31:28.29.34:26,33:31:28:34.25.26,33:25:28:32.30.31|
COCCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:21:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|
CCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:19:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
NS(=O)(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24:28.26.27,THB:29:27:24:30.21.22,29:21:24:28.26.27,26:25:22:28.27.29,26:27:24.25.30:22|
CS(=O)(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24:28.26.27,THB:29:27:24:30.21.22,29:21:24:28.26.27,26:25:22:28.27.29,26:27:24.25.30:22|
OC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:17:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
COC(=O)c1cc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)ccc1O |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2C)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
COC(=O)c1ccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:17:20:23:27.25.26,THB:28:26:23:29.20.21,28:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21|
COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C(C)(C)C)c1
COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:19:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
COc1c(ccc2OC(C)(C)C=Cc12)C(C1CCCCC1)n1cnc2c(Cl)cccc12 |c:11|
Cc1cc(nn1Cc1ccc(C)cc1)-c1nc2cc(ccc2[nH]1)-c1ccc(Cl)cc1
COc1cccc-2c1Cc1c(Nc3ccc4OCCOc4c3)[nH]nc-21
C1c2ccccc2-c2n[nH]c(Nc3ccc4OCCOc4c3)c12
C1Oc2ccc(Nc3[nH]nc-4c3Cc3ccccc-43)cc2O1
COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1OC
COc1cccc(Nc2[nH]nc-3c2Cc2ccccc-32)c1
COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1
C1Oc2cc3Cc4c(Nc5ccccc5)[nH]nc4-c3cc2O1
COc1cc2Cc3c(Nc4ccccc4)[nH]nc3-c2cc1OC
COc1cccc2Cc3c(Nc4ccccc4)[nH]nc3-c12
COc1ccc2Cc3c(Nc4ccccc4)[nH]nc3-c2c1
COc1ccc-2c(Cc3c(Nc4ccccc4)[nH]nc-23)c1
COc1cccc-2c1Cc1c(Nc3ccccc3)[nH]nc-21
C1c2ccccc2-c2n[nH]c(Nc3ccccc3)c12
Nc1ccc(NC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc3OCOc3c2)cc1
CN(C)CCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCCN(C)C)c5=O
Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |TLB:15:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Oc1ccc(cc1NC(=O)COc1ccccc1)C(=O)OCC#C
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1 |TLB:7:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:27:30:33.32.37:35,THB:31:32:35:39.30.38,31:30:33.32.37:35,38:30:33:37.36.35,38:36:33:39.31.30|
Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)OCc1ccc(cc1)C1(N=N1)C(F)(F)F)C2)C(=O)OCC#C |c:43,TLB:44:18:25:21.22.23,15:18:25:21.22.23,15:18:25.20.21:23,THB:19:20:23:26.18.44,19:18:25.20.21:23,44:22:25:26.19.18|
FC(F)(F)C1(N=N1)c1ccc(COC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(OCC#C)cc2)cc1 |c:5,TLB:23:22:16.17.18:20,THB:23:17:20:24.22.21,21:22:16:18.19.20,21:19:16:24.23.22,25:22:16:18.19.20,25:22:16.17.18:20|
Oc1ccc(cc1NC(=O)COc1ccc(cc1C1(N=N1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |c:21,TLB:15:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,15:25:28:32.31.30|
Oc1ccc(cc1NC(=O)COc1ccccc1C1(N=N1)C(F)(F)F)C(=O)OCC#C |c:21|
Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r|
[H][C@@]12C[C@@]34C(S1)=CC(=O)[C@@]([H])([N+]1=C5c6c(CC1)c[nH]c6C(=O)C(N2)=C35)[C@]4([H])SC1=CC(=O)C(Br)=C[C@]11CCNC2=C1C1=NCCc3c[nH]c(c13)C2=O |r,c:6,40,47,t:12,27,35,50,TLB:6:4:2:22.24.23,THB:8:7:25:24.12.11|
[H][C@@]12C[C@@]34[C@@H](O)[C@@]([H])(C(=O)C=C3S1)[N+]1=C3c5c(CC1)c[nH]c5C(=O)C(N2)=C43 |r,c:10,t:15,30,TLB:5:4:13.26.14:11.8.10|
BrC1=C[C@]2(CCNC3=C2C2=NCCc4c[nH]c(c24)C3=O)C(SSC2=CC(=O)C(Br)=C[C@]22CCNC3=C2C2=NCCc4c[nH]c(c24)C3=O)=CC1=O |r,c:7,32,39,55,t:1,10,27,42|
[H][C@@]12C[C@@]34C(S1)=CC(=O)[C@@]([H])([N+]1=C5c6c(CC1)c[nH]c6C(=O)C(N2)=C35)[C@]4([H])Sc1ncc(C[C@H](N)C(O)=O)n1C |r,c:6,t:12,27,TLB:6:4:2:22.24.23,THB:8:7:25:24.12.11|
O[C@H]1C(Br)=C[C@@]2(CCNC3=C2C2=NCCc4c[nH]c(c24)C3=O)C=C1Br |r,wU:5.4,wD:1.0,c:3,9,26,t:12,(13.65,-19.56,;13.66,-18.02,;15,-17.26,;16.39,-18.07,;15.01,-15.71,;13.68,-14.94,;15.02,-14.18,;15.03,-12.65,;13.7,-11.71,;12.36,-12.63,;12.36,-14.17,;11.05,-14.94,;11.05,-16.46,;9.72,-17.22,;8.25,-16.33,;8.24,-14.65,;7.33,-13.4,;8.2,-12.02,;9.71,-12.62,;9.71,-14.17,;11.05,-11.85,;11.05,-10.31,;12.34,-15.7,;12.34,-17.23,;11.01,-17.99,)|
BrC1=C[C@]23C[C@H](SC2=CC1=O)N=C1C3C2=NCCc3c[nH]c(c23)C1=O |r,c:8,13,t:1,17|
[H][C@]12Nc3ccccc3[C@]1(C[C@]13SS[C@@](CO)(N(C)C1=O)C(=O)N23)n1cc(C[C@]23SS[C@@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 |r|
Oc1cc2SC(Cc2cc1Br)NC1=CC2=NCCc3c[nH]c(c23)C1=O |t:14,16|
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3C)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3Br)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccnc3)cc2c1C
N[C@@H](Cc1ccc(cc1)[N+]([O-])(CCCl)CCCl)C(O)=O
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2c1C