880 SMILES Strings for Squalene synthase

Compound Name
SMILES String
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CN1CC(O)(Oc2ccccc12)c1ccccc1
CN1CCOC(O)(C1)c1ccc(\C=C\c2ccccc2)cc1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1ccccc1
CN1CC(O)(Oc2ccc(cc12)-c1ccccc1)c1ccc(cc1)-c1ccccc1
CSc1ccccc1N(C)CC(=O)c1ccc(cc1)-c1ccccc1
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccccc1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccccc1
CN1CC(O)(SC2CCCCC12)c1ccc(cc1)-c1ccccc1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
CN1CC(O)(Sc2ccccc12)c1ccccc1
CN1CC(O)(Sc2ccccc12)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CN1CC(O)(Sc2ccccc12)c1ccc(cc1)-c1ccc(O)cc1
CN1CC(O)(Sc2ccccc12)c1ccc(cc1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CCCCOc1ccc(OCC(CNC(C)C)OC)cc1
CCCCOc1ccc(OCCCNC(C)C)c(CC=C)c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O
CCC(=O)Nc1ccc(OCCCN(C)C(C)C)c(CC=C)c1
CCC(=O)Oc1ccc(OCCCNC(C)C)cc1
CC(C)NCCCOc1ccc(N)cc1CC=C
CC(C)NCCCOc1ccc(NC(C)=O)cc1
CCCCOc1ccc(OCCCNC(C)C)cc1
CC(C)NCC(O)COc1ccccc1Cc1ccccc1
C\C=N\OCc1ccc(OCCCNC(C)C)c(CC=C)c1
CC(C)NCCCOc1ccc(NC(C)=O)cc1CC=C
CC(C)NCCCOc1ccc(cc1)-c1ccccc1
CCCC(=O)c1ccc(OCC(O)CNC(C)C)c(CC=C)c1
CCC(=O)Nc1ccc(OCCCNC(C)C)c(Cc2ccccc2)c1
CC(C)NCCCOc1cccc(c1)-c1ccccc1
CC(C)NCCCOc1ccccc1Cc1ccccc1
CCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(Cc2ccccc2)c1
CC(C)NCCCOc1ccc(cc1CC=C)-c1ccccc1
CC(C)NCC(O)COc1ccc(cc1)-c1ccccc1
CC(C)NC[C@@H](COc1ccccc1CC=C)O
CCC(=O)Oc1ccc(OCCCNC(C)C)c(CC=C)c1
CC(C)NCCCOc1ccc(cc1)-c1cccnc1
CCCC(=O)c1ccc(OCCCNC(C)C)c(CC=C)c1
[#6]-[#6](-[#6])-[#7](-[#6])-[#6]-[#6]-[#6]-[#8]-c1ccccc1\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
CC(C)NCCCOc1ccccc1CC=C
CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](-[#6](-[#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](P([#6])([#8])=O)P([#8])([#8])=O |w:14.13|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](-[#6](-[#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
[#6]-[#8]-[#6]P([#8])(=O)[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
COCP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O |w:8.8|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])[#6]=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P(=O)=O)P([#8])([#8])[#8]
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
OP(O)(C=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
OC(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
[#6]-[#8]-[#6]P([#8])(=O)[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](P([#6])([#8])=O)P([#8])([#8])=O |w:9.8|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])[#6]=O)P([#8])([#8])=O
CP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:23:22:18:27.29.30,31:29:18:20.22,THB:21:20:18:27.29.30,34:27:18:20.22,28:27:18:20.22|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1n[nH]c(=S)n1C)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1csc(NC)n1)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnc(NC)o1)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnn[nH]1)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,47:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1csc(N)n1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnn[nH]1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,36:27:18:20.22|
CNc1nc(cs1)[C@H]1O[C@@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:4:7:27:29.31,32:31:27:36.7.8,THB:37:36:27:29.31,30:29:27:36.7.8,38:36:27:29.31|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1csc(C)n1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1cscn1)C(O)=O |TLB:39:38:33:12.13,47:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnn(C)n1)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,48:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
CNc1nnc(o1)[C@H]1O[C@@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:5:7:27:29.31,32:31:27:36.7.8,THB:37:36:27:29.31,30:29:27:36.7.8,38:36:27:29.31|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnnn1C)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O |TLB:39:38:33:12.13,46:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nc(C)no1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22|
COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:29:28:24:33.4.5,2:4:24:26.28,THB:27:26:24:33.4.5,35:33:24:26.28,34:33:24:26.28|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnn(C)n1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnc(C)[nH]1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:39:38:33:12.13,45:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1cscn1)C(O)=O |TLB:28:27:18:20.22,21:20:18:27.29.30,36:27:18:20.22,THB:31:29:18:20.22,23:22:18:27.29.30|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nc(C)no1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1csc(C)n1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1cnc[nH]1)C(O)=O |TLB:28:27:18:20.22,21:20:18:27.29.30,36:27:18:20.22,THB:31:29:18:20.22,23:22:18:27.29.30|
C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1n[nH]c(=S)n1C)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,38:27:18:20.22|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnnn1C)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,48:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41|
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)C[C@@H](C)Cc1ccccc1
C[C@@H](Cc1ccccc1)[C@@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@@H](Cc1ccccc1)\C=C(/C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)[C@H](OC(C)=O)[C@@H](C)Cc1ccccc1
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CC\C(C)=C\[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@@H](Cc1ccccc1)[C@@H](O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(C)CC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
COC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(C)C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(C)=O)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(C)CCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](O)C2(CCCC[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(=O)CC)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)C[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)C2(CCCCCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)C2(CCCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](O)C2(CCCCc3cccc4ccccc34)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCC34CC5CC(CC(C5)C3)C4)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O |TLB:34:33:36:29.28.30,34:29:36:33.35.32,THB:32:33:28:31.36.30,32:31:28:33.35.34|
CC(C)NC(=S)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCC3CC3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(=O)CC)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](O)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(CCCCC12OC([C@H](OC(=O)CC\C=C\C(C)CCCc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O)Cc1ccccc1
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NC3CCC3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(C)NC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)C2(CCCC(OC(C)=O)C(C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CC(C)=C)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](O)[C@H]1O)(C(O)=O)C(OCCCCCCCCCCCOc1ccccc1)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCCCOC1(C(OC2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1([C@H](O)[C@H]2O)C(O)=O)C(O)=O)C(O)=O
CC(C)OC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(C)SC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
COCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)OCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](O)C2(CCCCCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]([C@H](C)Cc1ccccc1)C(=C)CCC12OC([C@H](OC(=O)CCC)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CCCCCCCCCCc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NC3CC3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](O)C2(CCCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(OCCCCCCCCCCCC)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(OCCCCCCCCOc1ccccc1)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](O)[C@H]1O)(C(O)=O)C(OCCCCCCCCOc1ccccc1)(C(O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CC(C)(C)C)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CCCCCCCCCCCCOC1(C(OC2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1([C@H](O)[C@H]2O)C(O)=O)C(O)=O)C(O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1cccnc1
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-c1cccnc1
CC(C)CCCC(C)CCCC(C)CCNCc1cccnc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1cccnc1
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#7]-[#6]-c1cccnc1
[#6]-[#6]-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
[#6]-[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1cccnc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1ccncc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])\[#6]=[#7]\[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S([O-])(=O)=O
CCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)-c1ccccn1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2Oc2ccccc2)c1)S([O-])(=O)=O
Cc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
CCCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
[#6]\[#6](-[#6])=[#6]/c1ccc(cc1)-c1ccc(-[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O)cc1
CCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1
CCCCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
Cc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)S([O-])(=O)=O
CCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8-])=O)P([#8-])([#8-])=O
CC(C)CCc1ccccc1Oc1cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c1
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)S([O-])(=O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-c1ccccc1-[#8]-c1cccc(-[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O)c1
CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
CCCc1cccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)c1
CCCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)S([#8-])(=O)=O
CCCc1cccc(c1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@@H](CNS(=O)(=O)C(F)(F)F)O2)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(C)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](COC)O2)C(O)=O
COC[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(C)=O)C(O)=O
[#6]-[#6]-[#6@H](-[#6])-[#6]-[#6@H](-[#6])\[#6]=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6@@H](-[#8])[C@]2([#6]-[#6]-[#6](=[#6])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6])-[#6]-c3ccccc3)[#8][C@@]1([#6](-[#8])=O)[C@@]([#8])([#6@@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#8]2)[#6](-[#8])=O
CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CN(C)C)O2)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@@H](CNC(N)=O)O2)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CNC(N)=O)O2)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@@H](CN)O2)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CN)O2)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CNS(=O)(=O)C(F)(F)F)O2)C(O)=O
OC(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(13.02,-8,;13.53,-9.45,;12.32,-10.4,;12.62,-11.9,;11.14,-11.23,;11.42,-9.17,;10.86,-7.89,;10.86,-9.74,;9.25,-10.44,;9.46,-11.94,;15.04,-9.45,;15.81,-8.1,;17.34,-8.1,;18.14,-9.45,;17.37,-10.78,;15.81,-10.78,;19.68,-9.43,;20.44,-8.1,;21.97,-8.1,;22.75,-9.43,;21.98,-10.78,;20.44,-10.78,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)|
OC1(CN2CCC1CC2)c1ccc(cc1)C1OCCCO1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(11.68,-7.51,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;10.66,-8.12,;10.15,-6.94,;10.15,-8.64,;8.69,-9.28,;8.89,-10.66,;13.04,-9.25,;13.81,-10.6,;15.35,-10.6,;16.12,-9.25,;15.35,-7.92,;13.81,-7.92,;17.66,-9.25,;18.43,-7.94,;19.97,-7.94,;20.74,-9.27,;19.97,-10.6,;18.43,-10.6,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ncccn1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(13.35,-8.09,;12.95,-10.02,;13.24,-11.53,;11.76,-10.83,;10.09,-11.56,;9.88,-10.06,;11.48,-9.36,;11.48,-7.5,;12.04,-8.76,;14.5,-10.02,;15.27,-11.35,;16.81,-11.35,;17.58,-10.02,;16.81,-8.69,;15.27,-8.69,;19.15,-10.02,;19.92,-11.35,;21.47,-11.35,;22.24,-10.01,;21.46,-8.66,;19.92,-8.68,)|
C(Cc1ccc(cc1)-c1ccccc1)C1CN2CCC1CC2 |TLB:0:14:20.21:18.17,(13.67,-10.95,;15.1,-11.51,;16.32,-10.57,;16.07,-9.06,;17.28,-8.09,;18.72,-8.65,;18.93,-10.18,;17.74,-11.15,;19.93,-7.7,;19.68,-6.18,;20.88,-5.23,;22.31,-5.78,;22.55,-7.32,;21.33,-8.27,;12.48,-11.91,;12.76,-13.42,;11.29,-12.73,;11.57,-10.67,;11.01,-9.42,;11.01,-11.26,;9.42,-11.96,;9.63,-13.46,)|
OC1(CN2CCC1CC2)C#Cc1ccc(cc1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(8.8,-5.03,;8.54,-7.02,;8.83,-8.52,;7.36,-7.82,;5.68,-8.55,;5.47,-7.05,;7.08,-6.36,;7.08,-4.51,;7.64,-5.76,;10.08,-7.02,;10.91,-8.3,;11.75,-9.56,;13.23,-9.22,;14.27,-10.37,;13.78,-11.83,;12.28,-12.18,;11.24,-11.02,;14.83,-12.95,;16.33,-12.63,;17.37,-13.77,;16.92,-15.25,;15.39,-15.56,;14.38,-14.43,)|
OC1(CN2CCC1CC2)c1cccc(c1)-c1ccccc1 |TLB:9:1:7.8:5.4,0:1:7.8:5.4,(12.8,-5.94,;12.68,-8.03,;12.94,-9.41,;11.58,-8.79,;11.84,-6.9,;11.33,-5.72,;11.33,-7.42,;9.86,-8.06,;10.05,-9.44,;14.22,-8.03,;14.98,-6.71,;16.5,-6.71,;17.29,-8.03,;16.52,-9.38,;14.98,-9.38,;17.29,-10.69,;18.81,-10.69,;19.58,-12.03,;18.81,-13.36,;17.27,-13.36,;16.5,-12.03,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccncc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.2,-8.13,;12.89,-10.05,;13.18,-11.57,;11.71,-10.88,;11.98,-8.83,;11.43,-7.56,;11.43,-9.41,;9.84,-10.1,;10.05,-11.6,;14.43,-10.08,;15.2,-11.4,;16.73,-11.4,;17.5,-10.08,;16.73,-8.74,;15.2,-8.74,;19.06,-10.07,;19.82,-8.74,;21.36,-8.74,;22.13,-10.08,;21.37,-11.4,;19.83,-11.4,)|
OC1(CS(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:22.23:20.19,0:1:22.23:20.19,(12.09,-7.87,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.23,-12.58,;15.68,-10.84,;16.49,-12.13,;18.05,-12.06,;18.73,-10.66,;17.89,-9.37,;16.35,-9.47,;20.26,-10.58,;20.96,-9.19,;22.5,-9.09,;23.36,-10.38,;22.66,-11.78,;21.12,-11.87,;12.05,-11.15,;10.56,-10.47,;8.88,-11.18,;8.67,-9.68,;10.28,-8.99,;10.28,-7.13,;10.84,-8.41,)|
O=S(=O)(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:3:4:8.7:10.11,(15.72,-13.38,;15.09,-11.5,;14.67,-9.03,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;9.62,-13.45,;9.41,-11.96,;11,-11.26,;11,-9.41,;11.56,-10.67,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)|
C1CN2CCC1C(C2)\C=C/c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(12.4,-6.87,;12.61,-8.37,;14.26,-7.64,;14.54,-5.59,;13.98,-4.33,;13.98,-6.18,;15.44,-6.84,;15.76,-8.34,;16.66,-5.86,;18.09,-6.44,;18.06,-7.98,;19.41,-8.69,;19.45,-10.22,;18.15,-11.04,;16.79,-10.29,;16.76,-8.76,;18.18,-12.59,;19.52,-13.31,;19.58,-14.84,;18.27,-15.65,;16.91,-14.92,;16.87,-13.38,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |THB:0:1:7.8:5.4,9:1:7.8:5.4,(9.43,-7.58,;9.22,-9.41,;9.48,-10.79,;8.12,-10.15,;6.59,-10.82,;6.4,-9.44,;7.86,-8.8,;7.86,-7.1,;8.37,-8.26,;10.76,-9.41,;11.52,-8.06,;13.04,-8.06,;13.83,-9.41,;13.06,-10.75,;11.52,-10.75,;15.37,-9.41,;16.14,-10.73,;17.68,-10.73,;18.45,-9.4,;17.66,-8.06,;16.12,-8.06,;19.99,-9.4,;20.74,-8.06,;22.28,-8.06,;23.05,-9.4,;22.28,-10.73,;20.74,-10.73,)|
C1CN2CCC1C(C2)\C=C\c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(9.53,-12.11,;9.74,-13.61,;11.4,-12.88,;11.68,-10.82,;11.12,-9.57,;11.12,-11.41,;12.6,-12.04,;12.88,-13.58,;13.78,-11.1,;15.21,-11.68,;16.43,-10.72,;16.11,-9.22,;17.24,-8.17,;18.7,-8.65,;19.05,-10.15,;17.9,-11.17,;19.85,-7.61,;19.53,-6.11,;20.65,-5.07,;22.14,-5.54,;22.47,-7.04,;21.32,-8.09,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1nc2ccccc2s1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(12.16,-7.72,;11.82,-9.91,;12.13,-11.4,;10.64,-10.73,;9,-11.44,;8.79,-9.95,;10.36,-9.25,;10.36,-7.42,;10.92,-8.69,;13.36,-9.94,;14.12,-8.6,;15.65,-8.6,;16.42,-9.94,;15.66,-11.25,;14.12,-11.25,;17.94,-9.91,;18.81,-8.49,;20.29,-9.14,;21.61,-8.35,;22.96,-9.12,;22.96,-10.67,;21.64,-11.44,;20.3,-10.67,;18.84,-11.18,)|
C1CN2CCC1C(=C2)c1ccc(cc1)-c1ccccc1 |c:7,THB:8:6:0.1:4.3,(8.69,-9.06,;8.89,-10.44,;10.41,-9.76,;10.66,-7.87,;10.23,-6.77,;10.15,-8.42,;11.52,-9.02,;11.79,-10.41,;13.06,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)|
C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;11.56,-10.67,;11,-9.41,;11,-11.26,;9.41,-11.96,;9.62,-13.45,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)|
OC1(CCc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.01,-8.04,;11.74,-9.93,;13.28,-9.93,;14.12,-11.22,;15.68,-11.12,;16.49,-12.41,;18.05,-12.34,;18.73,-10.94,;17.89,-9.65,;16.35,-9.75,;20.26,-10.86,;21.13,-12.15,;22.66,-12.06,;23.36,-10.66,;22.5,-9.37,;20.96,-9.47,;12.05,-11.43,;10.56,-10.75,;8.88,-11.47,;8.67,-9.96,;10.28,-9.27,;10.28,-7.41,;10.84,-8.69,)|
C(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(24.24,-17.57,;22.91,-18.33,;22.91,-19.88,;21.57,-20.65,;20.23,-19.88,;20.23,-18.33,;21.57,-17.56,;20.83,-18.92,;22.32,-19.32,;25.58,-18.34,;25.57,-19.88,;26.9,-20.64,;28.23,-19.88,;28.23,-18.33,;26.9,-17.57,;29.56,-20.64,;29.56,-22.19,;30.89,-22.96,;32.23,-22.19,;32.22,-20.64,;30.89,-19.88,)|
OC1(CN2CCC1CC2)c1ccc(cc1)C1CCCCC1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(11.75,-7.58,;11.5,-9.41,;11.79,-10.79,;10.41,-10.15,;8.89,-10.82,;8.69,-9.44,;10.15,-8.8,;10.15,-7.1,;10.66,-8.26,;13.04,-9.41,;13.81,-8.06,;15.35,-8.06,;16.12,-9.41,;15.35,-10.75,;13.81,-10.75,;17.66,-9.41,;18.43,-8.08,;19.97,-8.08,;20.74,-9.41,;19.97,-10.76,;18.43,-10.75,)|
Oc1ccc(cc1)-c1ccc(cc1)C1(O)CN2CCC1CC2 |THB:10:13:18.17:20.21,14:13:18.17:20.21,(22.61,-10.37,;21.05,-10.37,;20.28,-9.03,;18.74,-9.04,;17.97,-10.37,;18.74,-11.7,;20.28,-11.7,;16.43,-10.37,;15.66,-11.7,;14.11,-11.7,;13.35,-10.37,;14.11,-9.04,;15.65,-9.04,;11.8,-10.37,;12.3,-8.52,;12.09,-11.88,;10.58,-11.18,;8.93,-11.91,;8.72,-10.41,;10.3,-9.71,;10.3,-7.85,;10.86,-9.11,)|
OC1(COc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-9.89,;13.28,-9.89,;14.12,-11.17,;15.68,-11.08,;16.49,-12.37,;18.05,-12.29,;18.73,-10.91,;17.89,-9.61,;16.35,-9.71,;20.26,-10.8,;21.13,-12.09,;22.66,-12.01,;23.36,-10.63,;22.5,-9.34,;20.96,-9.44,;12.05,-11.4,;10.56,-10.7,;8.88,-11.43,;8.67,-9.93,;10.28,-9.23,;10.28,-7.38,;10.84,-8.64,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1cnc2ccccc2c1 |TLB:0:1:5.4:7.8,9:1:5.4:7.8,(12.12,-8.13,;11.81,-10.06,;12.11,-11.56,;10.62,-10.86,;10.9,-8.8,;10.34,-7.54,;10.34,-9.39,;8.73,-10.09,;8.94,-11.6,;13.37,-10.06,;14.12,-8.73,;15.66,-8.73,;16.45,-10.06,;15.68,-11.39,;14.12,-11.39,;18,-10.06,;18.77,-11.39,;20.31,-11.39,;21.08,-10.05,;22.62,-10.05,;23.38,-8.72,;22.59,-7.39,;21.07,-7.4,;20.31,-8.73,;18.77,-8.73,)|
CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1CN2CCC1CC2 |THB:15:16:22.23:20.19,(23.82,-13.7,;22.28,-13.7,;21.51,-15.03,;21.51,-12.36,;19.97,-12.36,;19.2,-11.02,;17.66,-11.02,;16.89,-12.36,;16.89,-9.7,;15.35,-9.7,;14.58,-8.35,;13.04,-8.35,;12.27,-9.7,;12.27,-7.03,;10.73,-7.03,;9.96,-5.69,;8.42,-5.69,;8.71,-7.07,;7.33,-6.45,;5.79,-7.1,;5.61,-5.72,;7.07,-5.08,;7.07,-3.38,;7.58,-4.56,)|
OC1(CN2CCC1CC2)c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(14,-7.48,;13.81,-9.44,;14.1,-10.82,;12.72,-10.2,;11.2,-10.86,;11,-9.48,;12.46,-8.83,;12.46,-7.13,;12.97,-8.31,;15.35,-9.44,;16.12,-8.12,;17.66,-8.12,;18.43,-9.44,;17.66,-10.79,;16.12,-10.79,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(F)cc1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(12.37,-8.38,;12.18,-10.06,;12.47,-11.56,;10.99,-10.89,;9.32,-11.6,;9.11,-10.09,;10.71,-9.39,;10.71,-7.54,;11.27,-8.82,;13.73,-10.08,;14.5,-11.39,;16.04,-11.39,;16.81,-10.08,;16.04,-8.73,;14.5,-8.73,;18.38,-10.06,;19.12,-8.73,;20.66,-8.73,;21.46,-10.06,;23.01,-10.06,;20.69,-11.39,;19.12,-11.39,)|
OC1(CN2CCC1CC2)c1cnc(s1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(13.95,-7.3,;13.57,-9.29,;13.88,-10.79,;12.38,-10.11,;10.74,-10.82,;10.53,-9.33,;12.11,-8.63,;12.11,-6.79,;12.66,-8.06,;15.12,-9.31,;16.03,-8.06,;17.48,-8.53,;17.48,-10.09,;16.02,-10.57,;18.71,-10.99,;20.12,-10.37,;21.35,-11.27,;21.2,-12.8,;19.79,-13.43,;18.56,-12.52,)|
C1CN2CCC1C(C2)Sc1ccc(cc1)-c1ccccc1 |TLB:8:6:0.1:4.3,(11.19,-7.07,;11.75,-8.32,;11.47,-10.38,;9.79,-11.12,;9.58,-9.62,;11.19,-8.92,;12.65,-9.58,;12.96,-11.08,;13.86,-8.6,;15.3,-9.18,;16.5,-8.22,;17.93,-8.78,;18.17,-10.31,;16.95,-11.26,;15.52,-10.7,;19.6,-10.87,;20.79,-9.9,;22.22,-10.45,;22.47,-11.99,;21.25,-12.97,;19.81,-12.4,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.57,-8.02,;13.24,-10.07,;13.54,-11.57,;12.05,-10.89,;10.38,-11.6,;10.17,-10.1,;11.77,-9.41,;11.77,-7.56,;12.33,-8.84,;14.79,-10.09,;15.53,-11.42,;17.09,-11.42,;17.85,-10.09,;17.06,-8.75,;15.53,-8.75,;19.4,-10.07,;20.29,-8.84,;21.73,-9.29,;21.75,-10.86,;20.3,-11.32,)|
COC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:10:2:6.5:8.9,1:2:6.5:8.9,(12.8,-6.52,;11.68,-7.17,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;8.89,-10.66,;8.69,-9.28,;10.15,-8.64,;10.15,-6.94,;10.66,-8.12,;13.04,-9.25,;13.81,-7.92,;15.35,-7.92,;16.12,-9.25,;15.35,-10.6,;13.81,-10.6,;17.66,-9.25,;18.43,-10.59,;19.97,-10.59,;20.74,-9.25,;19.97,-7.9,;18.43,-7.92,)|
O=C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:2:3:9.10:7.6,(15.33,-13.04,;15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;9.62,-13.45,;9.41,-11.96,;11,-11.26,;11,-9.41,;11.56,-10.67,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;21.32,-8.27,;22.54,-7.31,;22.3,-5.78,;20.87,-5.22,;19.68,-6.18,)|
OC1(CN2CCC1CC2)c1ccc(s1)-c1cccs1 |TLB:9:1:7.8:5.4,0:1:7.8:5.4,(12.56,-7.1,;12.36,-8.82,;12.65,-10.21,;11.27,-9.57,;11.53,-7.68,;11.02,-6.52,;11.02,-8.22,;9.56,-8.87,;9.75,-10.25,;13.9,-8.82,;14.82,-7.58,;16.27,-8.03,;16.28,-9.6,;14.82,-10.09,;17.53,-10.5,;17.53,-12.06,;18.99,-12.51,;19.89,-11.27,;18.99,-10.02,)|
O=S(=O)(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:3:9.10:7.6,(13.29,-7.36,;13.52,-8.9,;14.08,-10.6,;12.31,-9.84,;12.61,-11.34,;11.13,-10.67,;11.4,-8.62,;10.85,-7.35,;10.85,-9.2,;9.24,-9.9,;9.45,-11.39,;15.03,-8.88,;15.79,-10.22,;17.35,-10.22,;18.12,-8.9,;17.33,-7.56,;15.79,-7.56,;19.66,-8.88,;20.42,-10.22,;21.96,-10.22,;22.73,-8.88,;21.95,-7.54,;20.42,-7.56,)|
CC(C)=CCC\C(C)=C\CC\C(C)=C\COCC1(O)CN2CCC1CC2 |THB:18:17:24.25:22.21,(27.52,-9.82,;26.19,-10.6,;26.22,-12.14,;24.86,-9.86,;23.52,-10.63,;22.18,-9.88,;20.86,-10.66,;20.89,-12.22,;19.51,-9.92,;18.2,-10.72,;16.85,-9.95,;15.52,-10.76,;15.56,-12.3,;14.19,-10.01,;12.86,-10.79,;11.53,-10.05,;10.18,-10.4,;8.96,-9.72,;8.95,-8.31,;9.25,-11.08,;7.87,-10.47,;6.33,-11.13,;6.16,-9.75,;7.61,-9.11,;7.61,-7.41,;8.13,-8.58,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccn1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.07,-8.2,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-8.7,;16.68,-8.7,;17.45,-10.04,;16.68,-11.36,;15.16,-11.36,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.04,;21.3,-11.36,;19.76,-11.36,)|
OC1(CSc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-10.14,;13.28,-10.14,;14.12,-11.43,;15.68,-11.32,;16.49,-12.62,;18.05,-12.55,;18.73,-11.15,;17.89,-9.86,;16.35,-9.96,;20.26,-11.07,;21.12,-12.36,;22.66,-12.27,;23.36,-10.87,;22.5,-9.58,;20.96,-9.68,;12.05,-11.64,;10.56,-10.96,;8.88,-11.67,;8.67,-10.17,;10.28,-9.47,;10.28,-7.62,;10.84,-8.9,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccnc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(12.97,-8.1,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-11.36,;16.68,-11.36,;17.45,-10.04,;16.68,-8.7,;15.16,-8.7,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.02,;21.3,-11.36,;19.76,-11.37,)|
OC1(CS(=O)(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |TLB:2:1:23.24:21.20,0:1:23.24:21.20,(12.01,-7.79,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.31,-12.58,;14.63,-9.18,;15.68,-10.84,;16.35,-9.47,;17.89,-9.37,;18.73,-10.66,;18.05,-12.06,;16.49,-12.13,;20.26,-10.58,;21.12,-11.87,;22.66,-11.78,;23.36,-10.38,;22.5,-9.09,;20.96,-9.19,;12.05,-11.15,;10.56,-10.47,;10.84,-8.41,;10.28,-7.13,;10.28,-8.99,;8.67,-9.68,;8.88,-11.18,)|
OC1(CN2CCC1CC2)c1ccc(cc1)-c1nccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.63,-8.12,;13.18,-9.98,;13.48,-11.45,;12,-10.79,;10.34,-11.51,;10.13,-10.02,;11.72,-9.32,;11.72,-7.49,;12.28,-8.74,;14.73,-9.99,;15.47,-11.31,;17.02,-11.31,;17.78,-9.99,;16.99,-8.66,;15.47,-8.66,;19.31,-9.98,;20.22,-8.64,;21.64,-9.2,;21.66,-10.75,;20.22,-11.24,)|
C1CN2CCC1C(C2)c1ccc(cc1)-c1ccccc1 |TLB:8:6:4.3:0.1,(10.23,-6.77,;10.66,-7.87,;10.41,-9.76,;8.89,-10.44,;8.69,-9.06,;10.15,-8.42,;11.5,-9.02,;11.79,-10.41,;13.04,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)|
C1CCN2CC(OCC2C1)c1ccc(cc1)-c1ccccc1
CN1CCOC(C1)(OCCCS)c1ccc(cc1)-c1ccccc1
CN1CCOC(C1)(OCCCS)c1ccc(cc1)-c1ccc2ccccc2c1
CN1CCOC(C1)(OCCCO)c1ccc(cc1)-c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)-c1ccc(cc1)C1(CN(C)CCO1)OCCCO
CN1CCOC(C1)c1ccc(cc1)-c1ccccc1
CN1C=C(OC2CCCCC12)c1ccc(cc1)-c1ccccc1
CN1CCSC(C1)c1ccc(cc1)-c1ccccc1
COc1ccc2cc(ccc2c1)-c1ccc(cc1)C1(CN(C)CCO1)OCCCS
CN1CCOC(C1)(OCCCO)c1ccc(cc1)-c1ccccc1
CN1CCOC(C1)(OCCCO[N+]([O-])=O)c1ccc(cc1)-c1ccc2ccccc2c1
CN1CCSC(C1)c1ccc2ccccc2c1
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc23)c1OC
COc1ccc2cc(ccc2c1)-c1ccc(cc1)C1(CN(C)CCO1)OCCCO[N+]([O-])=O
CN1CC(OC2CCCCC12)c1ccc(cc1)-c1ccccc1
CN(Cc1ccc(Oc2ccc(F)cc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(C)Cc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O)C(O)=O
CN(Cc1cccc(Oc2ccccc2)c1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(C)Cc1cccc(Oc2ccccc2)c1)C(O)=O)C(O)=O
[#6]-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#6@@H]-1-[#6@@H](-[#6@H](-[#6@H]-1-[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#8])=O
CCCCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCCCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#6@@H]-1-[#6@@H](-[#6@H](-[#6@H]-1-[#6](=O)-[#7](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](-[#8])=O
CC(C)CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC(C)C)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(C)Cc1ccc(OCc2ccccc2)cc1)C(O)=O)C(O)=O
CN(Cc1ccc(cc1)-c1ccccc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(C)Cc1ccc(cc1)-c1ccccc1)C(O)=O)C(O)=O
CCC[C@H](C)C[C@H](C)C=CC(=O)C[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |w:9.9|
CCCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CCCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CC(C)N(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(Cc1ccc(Oc2ccccc2)cc1)C(C)C)C(O)=O)C(O)=O
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1[C@H](C[C@H]([C@H]1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@H]([C@@H]([C@H]1C(O)=O)C(O)=O)C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H]([C@@H]([C@H]1C(O)=O)C(O)=O)C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@H]([C@H]([C@H]1C(O)=O)C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@@](CC(O)=O)([C@H]1C(O)=O)C(O)=O
CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1O[C@H]([C@@H]([C@@H]1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(10.63,-1.41,;9.54,-2.5,;9.94,-3.98,;8.86,-5.08,;9.25,-6.57,;7.36,-4.68,;6.27,-5.77,;4.78,-5.38,;4.38,-3.89,;2.9,-3.49,;1.81,-4.59,;.33,-4.19,;-1.17,-3.79,;-2.66,-3.4,;-2.26,-1.9,;-3.89,-4.07,;-4.88,-2.49,;-6.75,-2.53,;-5.51,-1.8,;-3.62,-1.88,;-3.15,-.9,;-4.25,-1.27,;2.22,-6.06,;1.13,-7.15,;-.37,-6.75,;-1.45,-7.84,;3.7,-6.46,)|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N12)C(O)=O
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](CS)NC(=O)OCC3c4ccccc4-c4ccccc34)C(=O)N12)C(O)=O
CSCCC(NC(=O)[C@@H]1CC[C@@H]2CC[C@](Cc3ccccc3)(NC(=O)[C@@H](N)CS)C(=O)N12)C(O)=O
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@](Cc3ccccc3)(NC(=O)[C@H](CS)NC(=O)OCC3c4ccccc4-c4ccccc34)C(=O)N12)C(O)=O
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)COC(=O)C(C)C)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CCCC(O)=O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)NCCCCC(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CCC(O)=O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)COCC(=O)OC(C)(C)C)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
CCCC(=O)OCC(C)(C)CN1c2ccc(Cl)cc2[C@H](O[C@H](CC(=O)N2CCC(CC(O)=O)CC2)C1=O)c1cccc(OC)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)NCCCC(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
CCC(=O)OCC(C)(C)CN1c2ccc(Cl)cc2[C@H](O[C@H](CC(=O)N2CCC(CC(O)=O)CC2)C1=O)c1cccc(OC)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N(C)CC(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)NCC(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)NC(CC(C)C)C(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)NCCC(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC3)C(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N[C@H](C)C(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
COc1cccc([C@H]2O[C@H](CC(=O)N[C@@H](C)C(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
OP(O)(=O)C(Nc1ccc(Br)nc1)P(O)(O)=O
OP(O)(=O)C(Nc1ccc(Cl)nc1)P(O)(O)=O
Cc1cc(C)nc(NC(P(O)(O)=O)P(O)(O)=O)c1
Cc1cccc(NC(P(O)(O)=O)P(O)(O)=O)n1
c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
CCOC(=O)C1CCCN(C(=O)CN2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1
CCOC(=O)CN1CCOC(c2ccccc2OC)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CC1=O
CCOC(=O)C1CCN(C(=O)CN2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1
COc1ccccc1C1OCCN(CC(=O)O)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCCN(CC(=O)N2CCCC(C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCCN(CC(=O)N2CCC(C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCCCNCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C(=O)N1CCCOC(c2ccccc2OC)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)C1
CCOC(=O)CN1CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc2C(c2ccccc2OC)OCCC1=O
COc1ccccc1C1OCCC(=O)N(CC(=O)O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C1CCCN(C(=O)CN2CC(=O)N(CC(C)(C)C)c3ccc(Cl)cc3C(c3ccccc3OC)OCCC2=O)C1
COc1ccccc1C1OCCC(=O)N(CC(=O)N2CCCC(C(=O)O)C2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C1CCN(C(=O)CN2CC(=O)N(CC(C)(C)C)c3ccc(Cl)cc3C(c3ccccc3OC)OCCC2=O)CC1
COc1ccccc1C1OCCC(=O)N(CC(=O)N2CCC(C(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCCN(C(=O)C(F)(F)F)CCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCCNCCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C(=O)N1CCOC(c2ccccc2OC)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CC1
COc1ccccc1C1OCCN(C(=O)C(=O)O)CCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1C1OCC(=O)NCCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)CN1CCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc2C(c2ccccc2OC)OCC1=O
COc1ccccc1C1OCC(=O)N(CC(=O)O)CCC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C(=O)N1CCC(N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1
COc1ccccc1C1OCCN(C2CCN(C(=O)C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C(=O)N1CCCC(N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1
COc1ccccc1C1OCCN(C2CCCN(C(=O)C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C1CCC(N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1
COc1ccccc1C1OCCN(C2CCC(C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)[C@H]1CC[C@@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1
COc1ccccc1C1OCCN([C@H]2CC[C@@H](C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)[C@H]1CC[C@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)CC1
COc1ccccc1C1OCCN([C@H]2CC[C@H](C(=O)O)CC2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)[C@H]1CCC[C@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1
COc1ccccc1C1OCCN([C@H]2CCC[C@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)[C@@H]1CCC[C@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1
COc1ccccc1C1OCCN([C@H]2CCC[C@@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)[C@H]1CCC[C@@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1
COc1ccccc1C1OCCN([C@@H]2CCC[C@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)[C@@H]1CCC[C@@H](N2CCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)CC2=O)C1
COc1ccccc1C1OCCN([C@@H]2CCC[C@@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C1CCN(C(=O)N2CCCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)C2)CC1
COc1ccccc1C1OCCCN(C(=O)N2CCC(C(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)C1CCCN(C(=O)N2CCCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)C2)C1
COc1ccccc1C1OCCCN(C(=O)N2CCCC(C(=O)O)C2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CCOC(=O)CC1CCN(C(=O)N2CCCOC(c3ccccc3OC)c3cc(Cl)ccc3N(CC(C)(C)C)C(=O)C2)CC1
COc1ccccc1C1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
CC(C)(C)CN1c2ccc(cc2[C@H](OCCCN(CC1=O)C(=O)N3CCC(CC3)CC(=O)O)c4ccccc4OC)Cl
COc1ccccc1[C@@H]1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21
COc1ccccc1[C@@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)O)C1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
OC(=O)c1cc(ccc1O)C#CC1(O)CN2CCC1CC2 |(-4.7,-31.17,;-3.36,-31.93,;-2.03,-31.14,;-3.34,-33.47,;-4.66,-34.25,;-4.65,-35.78,;-3.31,-36.54,;-1.98,-35.76,;-1.99,-34.23,;-.67,-33.44,;-5.97,-36.56,;-7.3,-37.34,;-8.63,-38.11,;-8.64,-36.57,;-8.63,-39.66,;-9.97,-40.43,;-11.3,-39.66,;-11.3,-38.11,;-9.97,-37.33,;-10.7,-38.69,;-9.21,-39.1,)|
OC1(CN2CCC1CC2)C#Cc1cnccn1 |(20.86,-36.14,;20.88,-37.68,;20.88,-39.23,;19.53,-39.99,;18.2,-39.23,;18.2,-37.68,;19.53,-36.9,;18.8,-38.26,;20.29,-38.66,;22.2,-36.91,;23.53,-36.12,;24.85,-35.34,;24.84,-33.82,;26.16,-33.03,;27.5,-33.79,;27.51,-35.33,;26.19,-36.11,)|
COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O
CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O
CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(5.4,-7.52,;4.08,-8.3,;2.74,-7.54,;1.41,-8.32,;1.42,-9.86,;.07,-7.57,;-1.26,-8.35,;-1.25,-9.89,;-2.57,-10.66,;-3.91,-9.9,;-3.93,-8.37,;-2.61,-7.59,;-5.24,-10.68,;-6.56,-11.46,;-7.89,-12.23,;-7.91,-10.69,;-7.89,-13.78,;-9.23,-14.55,;-10.57,-13.78,;-10.57,-12.23,;-9.23,-11.46,;-9.97,-12.82,;-8.48,-13.22,)|
COc1ccc2cc(ccc2c1)C1=CN2CCC1CC2 |t:14,(.63,-19.82,;-.71,-19.06,;-2.03,-19.84,;-3.38,-19.07,;-4.71,-19.85,;-4.7,-21.38,;-6.03,-22.15,;-6.03,-23.68,;-4.7,-24.46,;-3.36,-23.69,;-3.36,-22.15,;-2.03,-21.38,;-7.36,-24.45,;-7.36,-26,;-8.7,-26.77,;-10.03,-26,;-10.03,-24.45,;-8.7,-23.67,;-9.43,-25.03,;-7.95,-25.43,)|
C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)|
CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:12,(1.58,3.04,;.25,3.81,;-1.08,3.04,;-2.42,3.81,;-2.42,5.35,;-3.75,3.04,;-3.75,1.5,;-5.08,.73,;-6.41,1.5,;-6.42,3.04,;-5.09,3.81,;-7.75,.74,;-7.75,-.81,;-9.09,-1.58,;-10.42,-.81,;-10.42,.74,;-9.09,1.51,;-9.82,.15,;-8.34,-.25,)|
CCOC(=O)Cc1ccc(cc1)C#C[C@H]1CN2CCC1C[C@H]2CO |r|
CCOC(=O)Cc1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO |r|
OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 |r|
OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 |r|
CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@H]2CO |r|
CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO |r|
OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1cnc2ccccc2c1 |r|
OC[C@H]1CC2CCN1C[C@@H]2C#Cc1cnc2ccccc2c1 |r|
OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc2ccccc2c1 |r|
OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccc2ccccc2c1 |r|
OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccc(cc1)-c1ccccc1 |r|
OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccccc1 |r|
OC[C@H]1CC2CCN1C[C@@H]2C#Cc1ccccc1 |r|
CC(=O)c1ccc(s1)C#CC1(O)CN2CCC1CC2 |(11.49,-31.62,;12.41,-32.86,;13.94,-32.68,;11.79,-34.27,;12.57,-35.59,;11.55,-36.74,;10.14,-36.14,;10.29,-34.6,;8.81,-36.92,;7.49,-37.7,;6.16,-38.47,;6.14,-36.93,;6.16,-40.02,;4.82,-40.79,;3.48,-40.02,;3.48,-38.47,;4.82,-37.69,;4.08,-39.05,;5.57,-39.46,)|
Cc1ccc(N)cc1C#CC1(O)CN2CCC1CC2 |(27.33,-24.36,;27.33,-22.82,;28.66,-22.04,;28.64,-20.5,;27.3,-19.74,;27.28,-18.2,;25.98,-20.53,;25.99,-22.06,;24.66,-22.83,;23.34,-23.62,;22.01,-24.39,;22,-22.85,;22.01,-25.94,;20.67,-26.71,;19.33,-25.94,;19.33,-24.39,;20.67,-23.61,;19.93,-24.97,;21.42,-25.37,)|
COC(=O)c1ccc(N)c(c1)C#CC1(O)CN2CCC1CC2 |(13.38,-19.11,;12.04,-18.35,;10.71,-19.14,;9.37,-18.38,;10.73,-20.68,;12.08,-21.43,;12.09,-22.97,;10.76,-23.75,;10.77,-25.29,;9.43,-22.99,;9.41,-21.46,;8.1,-23.76,;6.78,-24.55,;5.45,-25.32,;5.43,-23.78,;5.45,-26.87,;4.11,-27.64,;2.77,-26.87,;2.77,-25.32,;4.11,-24.54,;3.37,-25.9,;4.86,-26.31,)|
OC1(CN2CCC1CC2)C#Cc1ccc(Cl)nc1 |(-8.28,-22.88,;-8.26,-24.42,;-8.26,-25.97,;-9.61,-26.74,;-10.94,-25.97,;-10.94,-24.42,;-9.61,-23.64,;-10.34,-25,;-8.85,-25.4,;-6.94,-23.65,;-5.61,-22.86,;-4.28,-22.08,;-2.95,-22.85,;-1.62,-22.07,;-1.63,-20.53,;-.31,-19.75,;-2.98,-19.77,;-4.3,-20.55,)|
Nc1ccc(cn1)C#CC1(O)CN2CCC1CC2 |(32.36,-8.59,;31.04,-9.37,;31.05,-10.91,;29.72,-11.69,;28.39,-10.92,;28.37,-9.39,;29.69,-8.61,;27.06,-11.7,;25.74,-12.48,;24.41,-13.26,;24.39,-11.72,;24.41,-14.8,;23.07,-15.57,;21.73,-14.8,;21.73,-13.26,;23.07,-12.48,;22.33,-13.84,;23.82,-14.24,)|
OC1(CN2CCC1CC2)C#Cc1ccc2cc[nH]c2c1 |(8.63,-11.08,;8.65,-12.62,;8.65,-14.17,;7.31,-14.94,;5.97,-14.17,;5.97,-12.62,;7.31,-11.84,;6.57,-13.2,;8.06,-13.6,;9.98,-11.85,;11.3,-11.06,;12.63,-10.28,;12.61,-8.75,;13.93,-7.97,;15.28,-8.73,;16.74,-8.24,;17.65,-9.48,;16.76,-10.73,;15.29,-10.27,;13.96,-11.05,)|
OC1(CN2CCC1CC2)C#Cc1cccnc1 |(25.16,.46,;25.18,-1.08,;25.18,-2.63,;23.83,-3.4,;22.5,-2.63,;22.5,-1.08,;23.83,-.3,;23.1,-1.66,;24.59,-2.06,;26.51,-.31,;27.83,.48,;29.16,1.26,;30.49,.49,;31.82,1.27,;31.81,2.81,;30.46,3.57,;29.14,2.79,)|
Cc1cc(C)cc(c1)C#CC1(O)CN2CCC1CC2 |(14.51,5.35,;14.53,3.81,;15.88,3.05,;15.89,1.51,;17.23,.75,;14.56,.73,;13.23,1.5,;13.21,3.03,;11.9,.72,;10.58,-.07,;9.25,-.84,;9.23,.7,;9.25,-2.39,;7.9,-3.16,;6.57,-2.39,;6.57,-.84,;7.9,-.06,;7.17,-1.42,;8.66,-1.82,)|
COc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(2.16,3.72,;.82,4.48,;-.51,3.7,;-.5,2.16,;-1.82,1.38,;-3.16,2.15,;-3.17,3.68,;-1.85,4.46,;-4.48,1.37,;-5.81,.58,;-7.14,-.19,;-7.15,1.35,;-7.14,-1.74,;-8.48,-2.51,;-9.81,-1.74,;-9.81,-.19,;-8.48,.59,;-9.21,-.77,;-7.72,-1.17,)|
Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(32.25,-32.02,;30.92,-32.8,;30.93,-34.34,;29.6,-35.12,;28.27,-34.35,;28.25,-32.82,;29.57,-32.04,;26.94,-35.13,;25.62,-35.91,;24.29,-36.69,;24.27,-35.15,;24.29,-38.24,;22.95,-39.01,;21.61,-38.24,;21.61,-36.69,;22.95,-35.91,;22.21,-37.27,;23.7,-37.67,)|
OC(=O)c1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(18.08,-33.29,;16.74,-32.53,;16.73,-30.99,;15.42,-33.31,;15.43,-34.85,;14.1,-35.63,;12.77,-34.86,;12.75,-33.34,;14.07,-32.55,;11.44,-35.64,;10.11,-36.43,;8.78,-37.2,;8.77,-35.66,;8.78,-38.75,;7.44,-39.52,;6.11,-38.75,;6.11,-37.2,;7.44,-36.42,;6.71,-37.78,;8.2,-38.18,)|
CCOC(=O)c1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(4.09,-32.88,;2.75,-32.12,;1.43,-32.9,;.09,-32.15,;.07,-30.61,;-1.24,-32.93,;-1.23,-34.47,;-2.56,-35.24,;-3.89,-34.48,;-3.91,-32.95,;-2.59,-32.17,;-5.22,-35.26,;-6.54,-36.04,;-7.87,-36.82,;-7.89,-35.28,;-7.87,-38.36,;-9.22,-39.13,;-10.55,-38.36,;-10.55,-36.82,;-9.22,-36.04,;-9.95,-37.4,;-8.46,-37.8,)|
C1CN2CCC1C(=C2)c1cc2ccccc2s1 |c:7,(17.86,-23.53,;17.86,-25.08,;19.19,-25.85,;19.95,-24.52,;18.46,-24.12,;19.19,-22.75,;20.54,-23.53,;20.54,-25.08,;21.87,-22.76,;23.27,-23.39,;24.3,-22.24,;25.83,-22.25,;26.6,-20.92,;25.83,-19.59,;24.3,-19.59,;23.54,-20.91,;22.03,-21.23,)|
C1CN2CCC1C(=C2)c1cc2ccccc2o1 |c:7,(3.93,-23.86,;3.93,-25.41,;5.26,-26.18,;6.02,-24.84,;4.53,-24.44,;5.26,-23.08,;6.61,-23.86,;6.61,-25.41,;7.94,-23.09,;9.34,-23.71,;10.37,-22.57,;11.9,-22.57,;12.67,-21.25,;11.9,-19.91,;10.37,-19.91,;9.61,-21.23,;8.1,-21.55,)|
C1CN2CCC1C(=C2)c1cnc2ccccc2c1 |c:7,(20.51,-11.4,;20.51,-12.95,;21.84,-13.72,;22.59,-12.38,;21.11,-11.98,;21.84,-10.63,;23.18,-11.4,;23.18,-12.95,;24.51,-10.64,;25.84,-11.41,;27.17,-10.64,;27.17,-9.1,;28.5,-8.33,;28.5,-6.79,;27.15,-6.02,;25.83,-6.8,;25.83,-8.33,;24.51,-9.1,)|
C1CN2CCC1C(=C2)c1ccc2ccccc2c1 |c:7,(7.97,-11.66,;7.97,-13.21,;9.31,-13.97,;10.06,-12.64,;8.57,-12.24,;9.31,-10.88,;10.65,-11.66,;10.65,-13.21,;11.98,-10.89,;13.31,-11.66,;14.64,-10.9,;14.64,-9.36,;15.98,-8.58,;15.97,-7.04,;14.63,-6.27,;13.3,-7.05,;13.3,-8.59,;11.98,-9.36,)|
CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C1=CN2CCC1CC2 |t:15,(30.85,1.27,;29.53,2.04,;30.3,3.38,;28.75,.71,;28.2,2.81,;28.97,4.14,;27.45,1.47,;26.87,3.58,;25.54,2.81,;25.54,1.27,;24.2,.5,;22.87,1.27,;22.87,2.81,;24.2,3.58,;21.54,.5,;21.54,-1.04,;20.2,-1.81,;18.86,-1.04,;18.86,.5,;20.2,1.28,;19.46,-.08,;20.95,-.48,)|
CC(C)OC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:13,(16.96,2.91,;15.62,3.68,;15.62,5.22,;14.29,2.91,;12.96,3.68,;12.96,5.22,;11.63,2.91,;11.62,1.37,;10.29,.6,;8.96,1.38,;8.96,2.91,;10.28,3.68,;7.63,.61,;7.63,-.94,;6.28,-1.71,;4.95,-.94,;4.95,.61,;6.28,1.39,;5.55,.03,;7.04,-.38,)|
C(C1CN2CCC1CC2)c1ccc2ccccc2c1 |(-6.33,-28.4,;-7.67,-29.17,;-7.67,-30.71,;-9.01,-31.48,;-10.34,-30.71,;-10.34,-29.17,;-9.01,-28.39,;-9.74,-29.75,;-8.26,-30.15,;-5,-29.17,;-3.68,-28.4,;-2.35,-29.16,;-2.34,-30.71,;-1.01,-31.47,;-1.01,-33,;-2.35,-33.78,;-3.68,-33.01,;-3.68,-31.47,;-5.01,-30.71,)|
C(C1CN2CCC1CC2)c1ccccc1 |(10.4,-17.69,;9.07,-18.46,;9.07,-20.01,;7.72,-20.78,;6.39,-20.01,;6.39,-18.46,;7.72,-17.68,;6.99,-19.04,;8.48,-19.45,;11.73,-18.46,;13.05,-17.69,;14.39,-18.46,;14.39,-20.01,;13.06,-20.77,;11.72,-20,)|
C1COC(O1)c1ccc(\C=C2/CN3CCC2CC3)cc1 |(.51,-21.7,;1.29,-20.37,;.26,-19.22,;-1.15,-19.85,;-.99,-21.38,;-2.49,-19.08,;-3.82,-19.85,;-5.16,-19.08,;-5.15,-17.54,;-6.48,-16.77,;-7.81,-17.54,;-7.81,-19.09,;-9.16,-19.86,;-10.49,-19.09,;-10.49,-17.54,;-9.16,-16.76,;-9.89,-18.12,;-8.4,-18.52,;-3.82,-16.77,;-2.49,-17.53,)|
C1COC(O1)c1ccc(\C=C2\CN3CCC2CC3)cc1 |(30.99,-2.22,;29.45,-2.22,;28.97,-3.68,;30.22,-4.59,;31.46,-3.69,;30.22,-6.13,;31.54,-6.9,;31.55,-8.43,;30.21,-9.2,;30.21,-10.74,;28.88,-11.51,;28.88,-13.05,;27.53,-13.82,;26.2,-13.05,;26.2,-11.5,;27.53,-10.73,;26.81,-12.09,;28.29,-12.49,;28.88,-8.44,;28.88,-6.9,)|
O=Cc1ccc(\C=C2/CN3CCC2CC3)cc1 |(-1.72,-10.71,;-1.72,-9.17,;-3.05,-8.4,;-3.06,-6.85,;-4.39,-6.09,;-5.71,-6.86,;-7.04,-6.08,;-8.38,-6.85,;-8.38,-8.4,;-9.72,-9.17,;-11.05,-8.4,;-11.05,-6.85,;-9.72,-6.07,;-10.46,-7.43,;-8.97,-7.84,;-5.72,-8.4,;-4.39,-9.16,)|
C1CN2CCC1\C(C2)=C\c1ccc2ccccc2c1 |(23.34,3.23,;23.34,1.69,;24.68,.92,;25.43,2.25,;23.94,2.65,;24.68,4.01,;26.02,3.23,;26.02,1.69,;27.35,4,;28.69,3.23,;30.01,4,;31.34,3.24,;31.34,1.69,;32.66,.93,;32.67,-.6,;31.33,-1.38,;30.01,-.6,;30.01,.93,;28.67,1.69,)|
C1CN2CCC1\C(C2)=C\c1ccccc1 |(-9.93,3.02,;-9.93,1.47,;-8.6,.7,;-7.85,2.03,;-9.33,2.44,;-8.6,3.79,;-7.26,3.02,;-7.26,1.47,;-5.93,3.79,;-4.59,3.01,;-4.6,1.48,;-3.27,.71,;-1.94,1.47,;-1.94,3.02,;-3.27,3.78,)|
C1CN2CCC1\C(C2)=C\c1ccc(cc1)-c1ccccc1 |(2.83,2.72,;2.83,1.17,;4.16,.4,;4.91,1.73,;3.43,2.14,;4.16,3.5,;5.5,2.72,;5.5,1.17,;6.83,3.49,;8.17,2.72,;8.16,1.18,;9.49,.41,;10.82,1.17,;10.82,2.72,;9.49,3.48,;12.15,.41,;12.15,-1.13,;13.48,-1.9,;14.81,-1.13,;14.81,.42,;13.48,1.18,)|
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1nc2ccccc2s1
CN1CCOC(O)(C1)c1ccc(cc1)-c1nc2ccccc2s1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1ccc(Br)s1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccc(Br)s1
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccc(Br)s1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1cccs1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1cccs1
CN1CCOC(O)(C1)c1ccc(cc1)-c1cccs1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1ccc(F)cc1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccc(F)cc1
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccc(F)cc1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1ccc(Br)cc1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccc(Br)cc1
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccc(Br)cc1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1ccc(Cl)cc1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccc(Cl)cc1
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccc(Cl)cc1
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1ccccc1F
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccccc1F
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccccc1F
OC1(CN2CCCCC2CO1)c1ccc(cc1)-c1nc2ccccc2s1
[O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
[O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
[O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1
[O-]P([O-])(=O)CP([O-])(=O)CCCCc1cccc(Oc2ccccc2)c1
ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O
ON(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O
OP(O)(=O)CC(=O)NCCCc1ccc(cc1)-c1ccccc1
OS(=O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O
CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O
[O-]P([O-])(=O)CC(=O)NCCc1cccc(Oc2ccccc2)c1
ONC(=O)C(CCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O
[O-]P([O-])(=O)CC(=O)NCCCCc1cccc(Oc2ccccc2)c1
[O-]P([O-])(=O)CC(=O)OCCCc1cccc(Oc2ccccc2)c1
[O-]P([O-])(=O)CC(=O)CCCCc1cccc(Oc2ccccc2)c1
[O-]P([O-])(=O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1
Cc1ccc(cc1)-c1ccc(CCCN(O)C(=O)CP(O)(O)=O)cc1
[O-]C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C(=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCC(=O)CCC[C@]12O[C@@]([C@H](OC(=O)CC[C@@H](C)C[C@@H](C)CC)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC\C(C)=C\[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=O)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)C(C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCO)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCC(=O)CCC[C@]12O[C@@]([C@H](OC(=O)CC[C@@H](C)C[C@@H](C)CC)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)CCc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(O)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C(=O)CCc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(=O)CCCc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CC3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C=C\[C@@H](C)C[C@@H](C)CC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
COC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)C3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCCCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1OC(C)=O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1OC(C)=O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)\C=C\c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
COC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O
CCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)(CO2)C(O)=O |THB:29:28:19:21.23,22:21:19:28.31.30,32:28:19:21.23|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(=O)OC |TLB:40:39:34:12.13,47:39:34:12.13,THB:43:41:34:12.13,11:12:34:39.41.42|
CCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:37:36:31:9.10,42:36:31:9.10,THB:8:9:31:36.41.38,39:38:31:9.10|
COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:2:4:25:27.29,THB:35:34:25:27.29,28:27:25:34.4.5,36:34:25:27.29|
CC(C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:36:35:30:8.9,41:35:30:8.9,THB:7:8:30:35.40.37,38:37:30:8.9|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:37:36:31:12.13,42:36:31:12.13,THB:11:12:31:36.41.38,39:38:31:12.13|
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:40:39:34:12.13,45:39:34:12.13,THB:11:12:34:39.44.41,42:41:34:12.13|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(=O)OC |TLB:40:39:34:12.13,45:39:34:12.13,THB:11:12:34:39.44.41,42:41:34:12.13|
CCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:39:38:33:11.12,44:38:33:11.12,THB:10:11:33:38.43.40,41:40:33:11.12|
CCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:34:33:28:6.7,39:33:28:6.7,THB:5:6:28:33.38.35,36:35:28:6.7|
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:37:36:31:12.13,42:36:31:12.13,THB:39:38:31:12.13,11:12:31:36.41.38|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)(CO2)C(O)=O |TLB:40:39:34:12.13,43:39:34:12.13,THB:11:12:34:39.42.41|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O |TLB:40:39:34:12.13,47:39:34:12.13,THB:43:41:34:12.13,11:12:34:39.41.42|
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=O)[C@@H](O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:37:36:31:12.13,42:36:31:12.13,THB:39:38:31:12.13,11:12:31:36.41.38|
CC[C@@H](C)C[C@@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
OC(=O)C1OC(CCCCCCc2ccccc2)OC(C(O)=O)C1(O)C(O)=O |(1.66,-3.06,;3.18,-3.32,;4.19,-2.15,;3.72,-4.78,;5.35,-5.4,;6.69,-5.03,;8.02,-5.8,;9.35,-5.03,;10.69,-5.8,;12.02,-5.03,;13.35,-5.78,;14.68,-5.01,;16.02,-5.78,;16,-7.32,;17.33,-8.07,;18.68,-7.32,;18.67,-5.76,;17.33,-5,;5.85,-6.34,;4.14,-5.71,;4.54,-7.2,;6.02,-7.6,;3.66,-8.43,;2.95,-6.13,;2.93,-7.68,;1.45,-5.73,;.68,-4.4,;1.05,-7.22,)|
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12CCC(O1)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
CC(Cc1ccccc1)C(OC(C)=O)C(=C)CCC1OC(C(O)=O)C(O)(C(O1)C(O)=O)C(O)=O |(12.98,-2.74,;12.98,-4.29,;14.32,-5.06,;15.65,-4.29,;15.65,-2.74,;16.98,-1.97,;18.32,-2.74,;18.32,-4.29,;16.98,-5.06,;11.65,-5.06,;11.65,-6.6,;10.32,-7.37,;10.32,-8.92,;8.99,-6.6,;10.32,-4.3,;10.32,-2.76,;8.99,-5.07,;7.72,-4.36,;6.46,-5.08,;5.15,-5.46,;3.52,-4.82,;2.98,-3.37,;1.46,-3.09,;3.98,-2.18,;2.74,-6.18,;2.74,-7.72,;3.94,-5.76,;5.64,-6.37,;4.33,-7.26,;5.81,-7.65,;3.44,-8.47,;1.25,-5.78,;.48,-4.43,;.85,-7.26,)|
CC(C)O[C@@H]([C@H](C)Cc1ccccc1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:24:23:19:28.30.31,32:30:19:21.23,THB:29:28:19:21.23,22:21:19:28.30.31|
C[C@H](Cc1ccccc1)[C@H](OCC=C)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:24:23:19:28.30.31,32:30:19:21.23,THB:22:21:19:28.30.31,29:28:19:21.23|
CCO[C@@H]([C@H](C)Cc1ccccc1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:23:22:18:27.29.30,31:29:18:20.22,THB:21:20:18:27.29.30,28:27:18:20.22|
C[C@H](Cc1ccccc1)[C@H](NC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:24:23:19:28.30.31,32:30:19:21.23,THB:29:28:19:21.23,22:21:19:28.30.31|
C[C@H](Cc1ccccc1)[C@H](OCC1CC1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:33:31:20:22.24,25:24:20:29.31.32,THB:30:29:20:22.24,23:22:20:29.31.32|
C[C@H](Cc1ccccc1)[C@H](OC(=O)c1ccccc1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:29:28:24:33.35.36,37:35:24:26.28,THB:34:33:24:26.28,27:26:24:33.35.36|
C[C@H](Cc1ccccc1)[C@H](OC(=O)C(C)(C)C)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:27:26:22:31.33.34,35:33:22:24.26,THB:32:31:22:24.26,25:24:22:31.33.34|
C[C@H](Cc1ccccc1)[C@H](OCC#C)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:24:23:19:28.30.31,32:30:19:21.23,THB:29:28:19:21.23,22:21:19:28.30.31|
CCCO[C@@H]([C@H](C)Cc1ccccc1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:24:23:19:28.30.31,32:30:19:21.23,THB:22:21:19:28.30.31,29:28:19:21.23|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:40:38:31:12.13,11:12:31:36.38.39,THB:37:36:31:12.13,14:13:31:36.38.39|
C[C@H](Cc1ccccc1)[C@@H](NC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:24:23:19:28.30.31,32:30:19:21.23,THB:29:28:19:21.23,22:21:19:28.30.31|
C[C@H](Cc1ccccc1)\C=C(\CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)CNC(C)=O |TLB:17:16:14:23.25.26,24:23:14:16.18,THB:19:18:14:23.25.26,27:25:14:16.18|
C[C@H](Cc1ccccc1)[C@H](O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:21:20:16:25.27.28,29:27:16:18.20,THB:19:18:16:25.27.28,26:25:16:18.20|
C[C@@H](Cc1ccccc1)\C=C(\CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)CNC(C)=O |TLB:19:18:14:23.25.26,27:25:14:16.18,THB:17:16:14:23.25.26,24:23:14:16.18|
C[C@H](Cc1ccccc1)[C@H](OCc1ccccc1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:28:27:23:32.34.35,36:34:23:25.27,THB:33:32:23:25.27,26:25:23:32.34.35|
CO[C@@H]([C@H](C)Cc1ccccc1)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:22:21:17:26.28.29,30:28:17:19.21,THB:20:19:17:26.28.29,27:26:17:19.21|
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@@]1(O[C@H](C(O)=O)[C@@](O)(C(O)=O)[C@@](COC(C)=O)(O1)C(O)=O)C(N)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@@]12CC[C@](O1)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:30:28:22:20.19,THB:27:26:22:20.19|
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@H](C(O)=O)[C@@](O)(C(O)=O)[C@](O1)(C(O)OC2O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)OC[C@]1(O[C@](CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc2ccccc2)(O[C@H](C(O)=O)[C@@]1(O)C(O)=O)C(N)=O)C(O)=O
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@@]12O[C@H](C(O)=O)[C@@](O)(C(O)=O)[C@@](COC1=O)(O2)C(O)=O
CC(CCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O)CC(C)C\C=C\c1ccccc1
CC(Cc1ccccc1)\C=C(/C)CCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O
CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6](-[#6]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |w:13.13|
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1)P([#8])([#8])=O |w:14.13|
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6](-[#6]-[#6]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |w:13.13|
[#6]-[#8]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](=[#6]-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])P([#8])([#8])=O |w:16.17|
COc1ccc(OCCNCc2ccccc2)cc1
C(COc1ccc(OCc2ccccc2)cc1)NCCc1ccccc1
C(COc1ccc(\C=C\c2ccccc2)cc1)NCc1ccccc1
C(COc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
C(COCCOc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
CC(CNCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1
C(NCc1ccc(OCc2ccccc2)cc1)c1ccccc1
CC(CNCCOc1ccc(\C=C\c2ccccc2)cc1)c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][N+]([#6])([#6])[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O
C[N+](C)(CCCCCCCCCCc1ccccc1)CCCCS([O-])(=O)=O
C[N+](C)(CCCCCCc1ccc(cc1)-c1ccccc1)CCCCS([O-])(=O)=O
C[N+](C)(CCCCc1ccc(Cc2ccccc2)cc1)CCCCS([O-])(=O)=O
C[N+](C)(CCCCc1ccc(cc1)-c1ccccc1)CCCCS([O-])(=O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][N+]([#6])([#6])[#6]-[#6]S([#8-])(=O)=O
C[N+](C)(CCCCCCCCCc1ccccc1)CCCCS([O-])(=O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][N+]([#6])([#6])[#6]-[#6]-[#6]S([#8-])(=O)=O
C[N+](C)(CCCCCCc1ccccc1)CCCCS([O-])(=O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][N+]([#6])([#6])[#6]-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6][N+]([#6])([#6])[#6]-[#6]-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O
C[N+](C)(CCCCCCCCc1ccccc1)CCCCS([O-])(=O)=O
C[N+](C)(CCCCCc1ccc(cc1)-c1ccccc1)CCCCS([O-])(=O)=O
C[C@@H](CC(O)=O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
C[C@@H](CC(O)=O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)\C=C\c1ccc2ccccc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C1([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])P([#8-])(=O)[#8]P([#8-])(=O)[#6]=P1([#8])[#8-]
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6]1P([#8-])(=O)[#8]P([#8-])(=O)[#6]=P1([#8])[#8-] |w:14.13|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])(P([#8-])([#8-])=O)P([#8-])(=O)[#6]P([#8-])([#8-])=O
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6](P([#8-])([#8-])=O)P([#8-])(=O)[#6]P([#8-])([#8-])=O |w:14.13|
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](/P([#8-])([#8-])=O)P([#8-])([#8-])=O
COC(=O)CCCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:14:15:20.19:22.23,16:15:20.19:22.23,(23.43,-2.86,;22.09,-2.1,;20.76,-2.86,;20.76,-4.4,;19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|
COC(=O)CCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(20.76,-2.86,;19.42,-2.1,;18.08,-2.89,;18.1,-4.43,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|
CCN(CC)C(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:14:15:20.19:22.23,16:15:20.19:22.23,(19.46,-5.19,;18.12,-4.43,;18.1,-2.89,;19.44,-2.11,;20.78,-2.86,;16.76,-2.12,;16.76,-.58,;15.44,-2.91,;14.1,-2.13,;12.77,-2.91,;12.77,-4.46,;11.45,-5.23,;10.12,-4.46,;8.78,-5.24,;7.45,-6.01,;6.19,-6.88,;7.67,-7.29,;6.4,-8.42,;4.96,-7.64,;3.26,-8.25,;3.14,-6.75,;4.78,-6.15,;4.96,-4.38,;5.37,-5.61,;10.09,-2.93,;8.77,-2.17,;7.44,-2.94,;6.1,-2.18,;11.43,-2.15,)|
NC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:10:11:16.15:18.19,12:11:16.15:18.19,(18.09,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.24,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.64,;3.26,-8.24,;3.14,-6.74,;4.77,-6.15,;4.96,-4.38,;5.36,-5.61,;10.09,-2.93,;8.76,-2.17,;7.43,-2.94,;6.1,-2.18,;11.43,-2.15,)|
COC(=O)CCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:13:14:19.18:21.22,15:14:19.18:21.22,(22.09,-2.1,;20.76,-2.86,;19.42,-2.1,;19.42,-.56,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|
COC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:11:12:17.16:19.20,13:12:17.16:19.20,(19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|
CCOC(=O)Cc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:11:12:17.16:19.20,13:12:17.16:19.20,(19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;15.43,-4.44,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|
OC1(CN2CCC1CC2)C#Cc1ccc(CCC#N)cc1CC=C |THB:9:1:5.4:7.8,0:1:5.4:7.8,(7.67,-7.29,;6.19,-6.88,;6.4,-8.42,;4.96,-7.64,;3.26,-8.25,;3.14,-6.75,;4.78,-6.15,;4.96,-4.38,;5.37,-5.61,;7.45,-6.01,;8.78,-5.24,;10.12,-4.46,;11.45,-5.23,;12.77,-4.46,;12.77,-2.91,;14.1,-2.13,;15.44,-2.91,;16.76,-2.12,;18.1,-1.35,;11.43,-2.15,;10.09,-2.93,;8.77,-2.17,;7.44,-2.94,;6.1,-2.18,)|
CNC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:11:12:17.16:19.20,13:12:17.16:19.20,(19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)|
CC(=O)CC=C[C@](C)(O)[C@H]1CC[C@]2(C)C1CCC1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C |w:4.3|
[H][C@@]1([#6]-[#6][C@]2([#6])[#6]1-[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6@@H](-[#8])-[#6][C@@]21[#6])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r|
CCCCCCC[C@@H](CCC[C@]12O[C@@]([C@H](OC(=O)CC\C=C\[C@@H](C)CCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)OC(C)=O |r|
C[C@@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC\C=C\[C@H](C)CCCc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r|
C[C@@H](CCCC[C@]12O[C@@]([C@H](OC(=O)CC\C=C\[C@@H](C)CCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)Cc1ccccc1 |r|
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(OC(C)=O)C(C)C\C=C\c3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r|
CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCCC(OC(C)=O)C(C)C\C=C\c3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r|
C\C=C\CCCC\C=C\CCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C(O)C(C)C\C=C\c3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r|
COc1ccc(Oc2ccc(F)cc2)cc1CCCC(P([O-])([O-])=O)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cc(Oc2ccc(F)cc2)ccc1F)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(F)cc(F)c2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc3occc3c2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)c(F)c2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(cc2)-c2ccco2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Oc3ccccc3)cc2)c1)S([O-])(=O)=O
Oc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)S([O-])(=O)=O
CC(C)(C)c1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)cc2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2C(F)(F)F)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2cccc(c2)C(F)(F)F)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2F)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2cccc(F)c2)c1)S([O-])(=O)=O
CCn1c2ccccc2c2cc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)ccc12
[O-]P([O-])(=O)C(CCCc1ccc(Oc2ccccc2)cc1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Cc2ccccc2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Nc2ccccc2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(Cc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
CCCOc1cccc(c1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(F)cc1F)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(cc2)C(F)(F)F)c1)S([O-])(=O)=O
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)cc2)c1)S([O-])(=O)=O
CP([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)P([O-])([O-])=O
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)P([O-])([O-])=O
[O-]P([O-])(=O)[C@H](CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O |r|
[O-]P([O-])(=O)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O |r|
CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O
OP(O)(=O)C(CCCCOc1nonc1-c1ccccc1)P(O)(O)=O
O[P+](O)([O-])C(CCCCOc1no[n+]([O-])c1-c1ccccc1)[P+](O)(O)[O-]
OC(CCCCOc1nonc1S(=O)(=O)c1ccccc1)(P(O)(O)=O)P(O)(O)=O
OC(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)([P+](O)(O)[O-])[P+](O)(O)[O-]
COc1ccc2cc(ccc2c1)C1(O)CN(C)CCO1
COc1ccc2cc(ccc2c1)C1(O)CN2CCCCC2CO1
COc1ccc2cc(ccc2c1)C1(O)CN(C)C2CCCCC2O1
CN1CCOC(O)(C1)c1ccc2ccccc2c1
OC1(CN2CCCCC2CO1)c1ccc2ccccc2c1
CN1CC(O)(OC2CCCCC12)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)-c1ccc(cc1)C1(O)CN(C)CCO1
COc1ccc2cc(ccc2c1)-c1ccc(cc1)C1(O)CN2CCCCC2CO1
COc1ccc2cc(ccc2c1)-c1ccc(cc1)C1(O)CN(C)C2CCCCC2O1
CN1CCOC(O)(C1)c1ccc(cc1)-c1ccc2ccccc2c1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccc2ccccc2c1
CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C1)C(O)=O)c1ccc(Cl)cc1C(O)c1cccc2OCCOc12
COC(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(O)=O)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(O)=O)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CN(C)C(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CNC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(N)=O)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCNC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)NC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCCCNC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C1)C(O)=O)c1ccc(Cl)cc1[C@H](O)c1ccccc1Cl |r|
CC(C)(C)CN(C(=O)CCC(=O)NCC1CCCCC1)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)N1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCNCC1)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCN(CC1)S(C)(=O)=O)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)CN1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCCN(C(=O)CCC(=O)N1CCC(CC1)C(=O)OCC)c1ccc(Cl)cc1C(O)c1ccccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1Cc1ccccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1CO
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1F
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(F)c1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccc(F)cc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cc(F)ccc1Cl
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1OC
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1OCC
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1OC
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc2OCCOc12
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1F
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(F)c1Cl
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccc(F)cc1Cl
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cc(F)ccc1Cl
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1OC
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1OCC
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1OC
CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc2OCCOc12
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(O)=O)c1ccc(Cl)cc1C(O)c1ccccc1F
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(O)=O)c1ccc(Cl)cc1C(O)c1cccc(F)c1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(O)=O)c1ccc(Cl)cc1C(O)c1ccc(F)cc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(O)=O)c1ccc(Cl)cc1C(O)c1cc(F)ccc1Cl
COc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O
COc1cccc(c1)C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O
CCOc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O
COc1cccc(C(O)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CCC(=O)N2CCC(CC2)C(O)=O)c1OC
CC(C)(C)CN(C(=O)CCC(=O)N1CCC(CC1)C(O)=O)c1ccc(Cl)cc1C(O)c1cccc2OCCOc12
CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C1)C(O)=O)c1ccc(Cl)cc1C(O)c1ccccc1F
CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C1)C(O)=O)c1ccc(Cl)cc1C(O)c1cccc(F)c1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C1)C(O)=O)c1ccc(Cl)cc1C(O)c1ccc(F)cc1Cl
CC(C)(C)CN(C(=O)CCC(=O)N1CCCC(C1)C(O)=O)c1ccc(Cl)cc1C(O)c1cc(F)ccc1Cl
COc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCCC(C1)C(O)=O
COc1cccc(c1)C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCCC(C1)C(O)=O
CCOc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCCC(C1)C(O)=O
COc1cccc(C(O)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CCC(=O)N2CCCC(C2)C(O)=O)c1OC
CC(C)C[C@@H]1c2ccccc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
CC(C)(O)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
OC(=O)CN1C[C@H](c2ccccc2Cl)c2cc(Cl)ccc2[C@@H](Cc2ccccc2)C1=O |r|
COc1cccc([C@H]2CN(CC(=O)N3CCC(CC3)C(O)=O)C(=O)[C@@H](CC(C)C)c3ccc(Cl)cc23)c1OC |r|
CCOC(=O)CN1C[C@H](c2ccccc2Cl)c2cc(Cl)ccc2[C@@H](CC(C)C)C1=O |r|
CC(C)C[C@@H]1c2ccc(C)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
CC(C)C[C@@H]1c2ccc(F)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
COc1ccccc1[C@H]1CN(CC(=O)N2CCCCC2)C(=O)[C@H](CC(C)C)c2ccc(Cl)cc12 |r|
COc1cccc([C@@H]2CN(CC(=O)N3CCC(CC3)C(O)=O)C(=O)[C@H](CC(C)C)c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2CN(CC(=O)N3CCC(CC3)C(O)=O)C(=O)[C@H](CC(C)C)c3ccc(Cl)cc23)c1OC |r|
COc1ccccc1[C@H]1CN(CC(=O)N2CCC(CC2)C(O)=O)C(=O)[C@H](CC(C)C)c2ccc(Cl)cc12 |r|
CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(=O)N2CCC(CC2)C(O)=O)C1=O)c1ccccc1Cl |r|
COc1cccc([C@H]2CN(CC(O)=O)C(=O)[C@H](CC(C)C)c3ccc(Cl)cc23)c1OC |r|
CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(=O)N2CCC(CC(O)=O)CC2)C1=O)c1ccccc1Cl |r|
COc1ccccc1[C@H]1CN(CC(O)=O)C(=O)[C@H](CC(C)C)c2ccc(Cl)cc12 |r|
CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Br |r|
CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(=O)NCCCCCC(O)=O)C1=O)c1ccccc1Cl |r|
CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
CC(=C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1 |r|
COc1cccc([C@@H]2O[C@@H](CC(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CC[C@@H](O)C3)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC3)C(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(O)=O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC |r|
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OC)cc(Cl)cc1[C@H](O)c1ccccc1OC |r|
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OC)cc(Cl)cc1[C@@H](O)c1ccccc1OC |r|
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OC)cc(Cl)cc1[C@H](O)c1ccccc1OC |r|
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OC)cc(Cl)cc1[C@@H](O)c1ccccc1OC |r|
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OC)cc(Cl)cc1[C@H](O)c1ccccc1OC |r|
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OC)cc(Cl)cc1[C@@H](O)c1ccccc1OC |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O |r|
COc1ccccc1[C@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C1)C(O)=O |r|
COc1ccccc1[C@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C1)C(O)=O |r|
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OCC)cc(Cl)cc1[C@H](O)c1ccccc1OC |r|
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1c(OCC)cc(Cl)cc1[C@H](O)c1ccccc1OC |r|
CCOc1cc(Cl)cc([C@H](O)c2ccccc2OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O |r|
CCOc1cc(Cl)cc([C@H](O)c2ccccc2OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(C)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(Cl)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OC(C)C)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCCCO)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCCC(C)(C)O)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCC(C)(C)C)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCC(C)(C)CO)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O |r|
CN1CC(O)(Oc2ccccc12)c1ccc(cc1)-c1ccccc1
CN1CC(O)(Sc2ccccc12)c1ccc(cc1)-c1ccccc1
CN1CC(Oc2ccccc12)c1ccc(cc1)-c1ccccc1
CN1CC(Sc2ccccc12)c1ccc(cc1)-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-[#6]P([#8-])(=O)C([#6])([#6])P([#8-])([#8-])=O)-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(=O)OC)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(=O)OC)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]P([#8-])(=O)[#6](-[#8-])=O |w:13.13|
COC(=O)[C@]1(O)[C@H](O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1([C@H](O)[C@H]2O)C(O)=O)C(O)=O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(=O)OC)[C@@](O)([C@H](O2)C(=O)OC)C(=O)OC
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:14.13|
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(=O)OC)[C@@](O)([C@H](O2)C(O)=O)C(=O)OC
[#6]-[#8]P([#8-])(=O)[#6]P([#8-])(=O)[#6]=[#6]-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |w:10.10|
COC(=O)[C@]12O[C@](CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)(O[C@H](C(O)=O)[C@@]1(O)C(O)=O)[C@H](O)[C@H]2O
CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(=O)OC
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]P([#8-])(=O)[#6]P([#8-])([#8-])=O
C[C@@H](NC(=O)C[C@H](CC(O)=O)C(O)=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
CC(NC(=O)CC(CC(O)=O)C(O)=O)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)C[C@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1
C[C@H](NC(=O)C[C@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc(-[#6]-[#7]-[#6](=O)-[#7](-[#8])C([#6])([#6])[#6](-[#8-])=O)c1
[#6]-[#8]-[#6](=O)-[#6]-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6])-[#7](-[#8])-[#6](=O)-[#7]-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#8])-[#6]-[#6](-[#8])=O
[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#7](-[#8])-[#6](=O)-[#7]-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]-[#6](-[#8])=O
[#6]-[#6]-[#8]-[#6](=O)-[#7](-[#8])-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
[#6]-[#8]-[#6](=O)C([#6])([#6])[#7](-[#8])-[#6](=O)-[#7]-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1
[#6]-[#6]-[#8]-[#6](=O)-[#7](-[#8])-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#7](-[#8])-[#6](=O)-[#7]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8][P@]([#8])(=O)[#8]P([#8])([#8])=O |r|
O[C@@]1(CN2CCC1CC2)C#Cc1cccc(OCc2ccccc2)c1 |wU:1.10,wD:1.0,(11.89,-11.95,;11.9,-13.45,;11.9,-15.01,;10.55,-15.78,;9.22,-15.01,;9.22,-13.45,;10.55,-12.68,;9.98,-13.62,;9.98,-14.55,;13.24,-12.68,;14.58,-11.9,;15.9,-11.12,;15.89,-9.58,;17.22,-8.81,;18.57,-9.56,;18.58,-11.11,;19.88,-11.85,;21.17,-11.1,;22.47,-11.84,;22.47,-13.33,;23.76,-14.07,;25.06,-13.32,;25.05,-11.82,;23.75,-11.08,;17.24,-11.89,)|
C(Oc1ccc(cc1)C#CC1=CN2CCC1CC2)c1ccccc1 |t:11,(2.7,-9.53,;1.36,-8.77,;.03,-9.55,;.04,-11.09,;-1.29,-11.87,;-2.63,-11.1,;-2.64,-9.56,;-1.31,-8.79,;-3.95,-11.88,;-5.29,-12.65,;-6.63,-13.42,;-6.63,-14.98,;-7.97,-15.75,;-9.3,-14.98,;-9.3,-13.42,;-7.97,-12.65,;-8.54,-13.59,;-8.54,-14.52,;2.71,-11.07,;1.38,-11.85,;1.39,-13.39,;2.73,-14.15,;4.06,-13.36,;4.05,-11.82,)|
C(C1=CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |t:1,(11.58,2.07,;10.24,1.3,;10.24,-.24,;8.91,-1,;7.58,-.24,;7.58,1.3,;8.91,2.08,;8.34,1.14,;8.34,.21,;12.91,1.3,;12.9,-.24,;14.23,-1.01,;15.57,-.25,;15.57,1.3,;14.23,2.07,;16.9,-1.01,;16.9,-2.56,;18.23,-3.33,;19.57,-2.56,;19.56,-1.01,;18.23,-.24,)|
OC(=O)CC1OC(c2cccc3OCCOc23)c2cc(Cl)ccc2-n2cccc12
COc1cccc([C@H]2O[C@H](CCn3cc(COC(C)(C)C(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc(C2OC(CC(O)=O)c3ccc(CN4CCOCC4)n3-c3ccc(Cl)cc23)c1OC
COc1cccc(C2OC(CC(O)=O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc23)c1OC
COc1cccc(C2OC(CC(O)=O)c3ccc(Cl)n3-c3ccc(Cl)cc23)c1OC
COc1cccc(C2OC(CC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
COc1cccc(C2OC(CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
COC(=O)CC1OC(c2cccc(OC)c2OC)c2cc(Cl)ccc2-n2cccc12
OC(=O)CC1OC(c2cc(Cl)ccc2-n2cccc12)c1cccc2ccccc12
OC(=O)CC1OC(c2cccc(Cl)c2Cl)c2cc(Cl)ccc2-n2cccc12
COc1cccc([C@@H]2O[C@@H](CC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC[C@@H](C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)N3CCN(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)NCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)NCCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CC(=O)Nc3cccc(c3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC[C@@H](C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(CC(O)=O)C3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC3)OCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC3)OCCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(COCC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCOC(C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCC(=O)N3CCN(CC(O)=O)C(=O)C3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(nn3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(CC(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nncc3CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(COCC(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
CCC(CC)(OCc1cn(CC[C@H]2O[C@H](c3cccc(OC)c3OC)c3cc(Cl)ccc3-n3cccc23)nn1)C(O)=O |r|
COc1cccc([C@H]2O[C@H](CCn3ccc(CC(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nccc3CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(CC(O)=O)cn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnc(n3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnc(CC(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnnc3CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnc(CCC(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnc(n3)C(C)(C)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnc(n3)C3(CC3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3nnc(COC(C)(C)C(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC |r|
CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1ccc(cc1)C1(O)CN2CCCCC2CO1
COc1cccc([C@H]2O[C@H](CC(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1Cl |r|
COc1cccc([C@H]2O[C@H](CC(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1C |r|
CCc1c(OC)cccc1[C@H]1O[C@H](CC(O)=O)c2nnc(n2-c2ccc(Cl)cc12)C(F)(F)F |r|
COc1cccc([C@H]2O[C@H](CC(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1OC(F)(F)F |r|
COc1cccc([C@H]2O[C@H](CC(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(CF)n3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(C(C)C)n3-c3ccc(Cl)cc23)c1OC |r|
COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(C)n3-c3ccc(Cl)cc23)c1OC |r|
CN1CCOC(O)(C1)c1ccc2Sc3ccccc3Nc2c1
OC1(CN2CCCCC2CO1)c1ccc2Sc3ccccc3Nc2c1
CN1CC(O)(OC2CCCCC12)c1ccc2Sc3ccccc3Nc2c1
CN1CCOC(O)(C1)c1ccc2Sc3ccccc3N(C)c2c1
CN1c2ccccc2Sc2ccc(cc12)C1(O)CN2CCCCC2CO1
CN1CC(O)(OC2CCCCC12)c1ccc2Sc3ccccc3N(C)c2c1
CN1CCOC(O)(C1)c1ccc2Sc3ccccc3N(C(C)=O)c2c1
CC(=O)N1c2ccccc2Sc2ccc(cc12)C1(O)CN2CCCCC2CO1
CN1CC(O)(OC2CCCCC12)c1ccc2Sc3ccccc3N(C(C)=O)c2c1
CN1CC(O)(Oc2ccccc12)c1ccc2Sc3ccccc3Nc2c1
CN1CC(O)(Sc2ccccc12)c1ccc2Sc3ccccc3Nc2c1
CC1=CSC(O)(CN1C=O)c1ccc2Sc3ccccc3Nc2c1 |t:1|
CC(C)=CCC\C(C)=C\CNCCOC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(49.64,-.96,;48.27,-.27,;48.17,1.28,;46.98,-1.12,;45.6,-.43,;44.32,-1.28,;42.94,-.59,;42.85,.95,;41.66,-1.44,;40.28,-.75,;38.99,-1.6,;37.62,-.91,;36.33,-1.76,;34.95,-1.07,;33.67,-1.92,;33.65,-3.45,;32.25,-3.8,;30.93,-3.3,;29.74,-4.58,;31.23,-4.16,;32.64,-4.73,;31.23,-2.58,;32.26,-1.34,;30.93,-1.82,)|
CC(C)=CCC\C(C)=C\COCCNC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(14.35,-9.79,;12.97,-9.1,;12.88,-7.56,;11.69,-9.95,;10.31,-9.26,;9.02,-10.11,;7.65,-9.42,;7.55,-7.88,;6.36,-10.27,;4.98,-9.58,;3.7,-10.43,;2.32,-9.74,;1.04,-10.59,;-.36,-9.9,;-1.64,-10.75,;-1.65,-12.28,;-3.06,-12.62,;-4.36,-12.13,;-5.56,-13.41,;-4.07,-12.99,;-2.67,-13.55,;-4.08,-11.41,;-3.04,-10.17,;-4.37,-10.65,)|
CN1CC(O)(OC2CCCCC12)c1ccc2c(ccc3ccccc23)c1
OC1(CN2CCCCC2CO1)c1ccc2c(ccc3ccccc23)c1
CN1CCOC(O)(C1)c1ccc2c(ccc3ccccc23)c1
CN1CC(O)(OC2CCCCC12)c1ccc(cc1)C1CCCCC1
OC1(CN2CCCCC2CO1)c1ccc(cc1)C1CCCCC1
CN1CCOC(O)(C1)c1ccc(cc1)C1CCCCC1