BindingDB logo
myBDB logout

1546 SMILES Strings for Neuraminidase

Compound NameSMILES String
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM4701 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM4703 NS(=O)(=O)c1ccc(cc1)C(O)=O
BDBM4704 OC(=O)c1cccc(NC#N)c1
BDBM4705 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](-[#8])=O
BDBM4706 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
BDBM4707 [#6]-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4708 CC(=O)Nc1ccc(cc1CN=O)C(O)=O
BDBM4709 CC(=O)Nc1ccc(cc1CC[N+]([O-])=O)C(O)=O
BDBM4710 [#6]S(=O)(=O)[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4711 CS(=O)(=O)Nc1ccc(cc1CN=O)C(O)=O
BDBM4712 [#6]-[#6](-[#6])-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4713 [#6]-[#7]-[#6](=O)-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4714 [#7]\[#6](-[#7])=[#7]/c1cc(ccc1S([#7])(=O)=O)-[#6](-[#8])=O
BDBM4715 [#6]S(=O)[#6]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4716 [#6]S(=O)(=O)[#6]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4717 NC(N)=Nc1cc(N)cc(c1)C(O)=O |w:3.3|
BDBM4718 [#7]\[#6](-[#7])=[#7]/c1cc(-[#7]-[#6](-[#7])=[#7])cc(c1)-[#6](-[#8])=O
BDBM4719 [#7]\[#6](-[#7])=[#7]/c1cc(-[#6]-[#7]=O)cc(c1)-[#6](-[#8])=O
BDBM4722 [#6]-[#6](=O)-[#7]-c1c(cc(cc1-[#6](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
BDBM4723 [#6]-[#6](=O)-[#7]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
BDBM4724 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
BDBM4729 [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#7]=O)cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4727 [#6]-[#6](=O)-[#7]-c1c(-[#6]-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4728 [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4730 CS(=O)(=O)Nc1ccc(nc1)C(O)=O
BDBM4731 CC(=O)Nc1ccc(nc1)C(O)=O
BDBM4732 CC(=S)Nc1ccc(nc1)C(O)=O
BDBM4733 CC(=O)Nc1ccc(nc1N)C(O)=O
BDBM4734 CC(=O)Nc1ccc(nc1N=C(N)N)C(O)=O |w:10.10|
BDBM4735 CC(=O)Nc1cnc(cc1N)C(O)=O
BDBM4736 CS(=O)(=O)Nc1c(N)cc(nc1N)C(O)=O
BDBM4737 [#6]-[#6](=O)-[#7]-c1c(-[#7])cc(nc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4738 [#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:12.19,5.5|
BDBM4739 [#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:13.20,6.6|
BDBM4740 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]=[#6] |r,w:7.14,4.3|
BDBM4741 [#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4742 [#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4743 [#6]-[#6]-[#6](-[#6]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4744 [#6]-[#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4745 [#6]-[#6](-[#6])-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4746 [#6]-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4747 [#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.24,10.10|
BDBM4748 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r,w:7.14,4.3|
BDBM4749 [#6]-[#6](-[#6]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:20.28,13.14|
BDBM4750 [#6]-[#8]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4751 [#6]-[#6]-[#6](-[#6]-[#8]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4752 [#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4753 [#6]-[#6](-[#6])-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4754 [#6]-[#7](-[#6]-[#6]=[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4755 [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4756 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.24,10.10|
BDBM4757 [#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13|
BDBM4758 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4759 [#6]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4760 [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4761 [#6]-[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13|
BDBM4762 [#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4763 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
BDBM4764 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4765 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4766 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4767 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4768 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4769 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
BDBM4770 [#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
BDBM4771 [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:18.26,11.12|
BDBM4772 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
BDBM4773 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
BDBM4774 [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#7](-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
BDBM4775 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4776 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4923 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCN |r,c:3|
BDBM4924 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCO |r,c:3|
BDBM4925 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCC(O)=O |r,c:3|
BDBM4926 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
BDBM4928 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCC |r,c:3|
BDBM4929 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3|
BDBM4930 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#7] |r,c:3|
BDBM4931 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#6] |r,c:3|
BDBM4932 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6] |r,c:3|
BDBM4933 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6]-[#6]-[#6] |r,c:3|
BDBM4934 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM4935 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N1C(C)CCC1C |r,c:3|
BDBM4936 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCC)CCCC |r,c:3|
BDBM4937 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3|
BDBM4938 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC=C)CC=C |r,c:3|
BDBM4939 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NC1CCCCC1 |r,c:3|
BDBM4940 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6] |r,c:3|
BDBM4941 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC |r,c:3|
BDBM4942 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] |r,c:3|
BDBM4943 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCC |r,c:3|
BDBM4944 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)Cc1ccccc1 |r,c:3|
BDBM4945 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3|
BDBM4946 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-c1ccccc1 |r,c:3|
BDBM4947 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCc1ccccc1 |r,c:3|
BDBM4948 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCCCCCCC |r,c:3|
BDBM4949 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |r,c:3|
BDBM4950 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCc1ccccc1 |r,c:3|
BDBM4951 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3|
BDBM4952 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCc1ccccc1 |r,c:3|
BDBM4953 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(O)=O |r,c:3|
BDBM4954 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(N)=O |r,c:3|
BDBM4955 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN(C)C)CCc1ccccc1 |r,c:3|
BDBM4956 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN=[N+]=[N-])CCc1ccccc1 |r,c:3|
BDBM4957 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCO)CCc1ccccc1 |r,c:3|
BDBM4958 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(C)C |r,c:3|
BDBM4959 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C(C)C |r,c:3|
BDBM4960 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN)CCc1ccccc1 |r,c:3|
BDBM4961 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C1CC1 |r,c:3|
BDBM4962 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCO)CCc1ccccc1 |r,c:3|
BDBM4963 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(OC)cc1 |r,c:3|
BDBM4964 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(O)cc1 |r,c:3|
BDBM4965 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(OC)c1 |r,c:3|
BDBM4966 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(O)c1 |r,c:3|
BDBM4967 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)-c1ccccc1 |r,c:3|
BDBM4968 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cl)cc1Cl |r,c:3|
BDBM4969 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)C(C)C |r,c:3|
BDBM4970 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cc2ccccc2)cc1 |r,c:3|
BDBM4971 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1OC |r,c:3|
BDBM4972 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(c1)-c1ccccc1 |r,c:3|
BDBM4973 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1C(=O)N1CCCC1)C(O)=O |r,c:7|
BDBM4974 CC1CCCN1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM4976 C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM4977 C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM4978 CC[C@H]1CC[C@@H](CC)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM4927 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3|
BDBM5009 CCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5010 CCCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5011 CC[C@@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5012 CC[C@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5013 CCC(CC)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5014 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C |r,c:18|
BDBM5015 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F |r,c:18|
BDBM5008 CC(=O)N[C@H]1[C@H](O)C=C(C[C@@H]1N=C(N)N)C(O)=O |r,c:7|
BDBM150757 Clc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM150760 COc1cccc(c1)-c1cc(=O)c2ccccc2o1
BDBM4980 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1O)C(O)=O |r,c:8|
BDBM4981 CO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:3|
BDBM4982 CCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:4|
BDBM4983 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM4984 CCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4985 CCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM4986 CCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM4987 CCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM4988 CCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM4989 CCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM4990 CCCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM5016 CCC(CC)O[C@@H]1C=C([C@@H](C)[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5017 [#6]-[#6](=O)-[#7]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
BDBM5018 CCCCC(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5019 [H][C@@](CCCC)(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r,w:12.19|
BDBM5020 [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5021 [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5022 [H][C@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5023 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5024 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5025 [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
BDBM4991 CC(C)CO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4992 CC[C@@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4993 CC[C@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4994 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM4995 CC[C@@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM4996 CC[C@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM4997 CCCCCCC[C@H](CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM4998 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC1CCCCC1)C(O)=O |r,c:8|
BDBM4999 CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM5000 CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM5001 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1Oc1ccccc1)C(O)=O |r,c:8|
BDBM5002 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCc1ccccc1)C(O)=O |r,c:8|
BDBM5003 CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM5004 CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM5005 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(Cc1ccccc1)Cc1ccccc1)C(O)=O |r,c:8|
BDBM5006 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(CCCc1ccccc1)CCCc1ccccc1)C(O)=O |r,c:8|
BDBM5007 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCCCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:8|
BDBM5190 [H][C@]1(N[C@H](C[C@H]1C(=O)OCC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5191 [H][C@]1(N[C@H](C[C@H]1COC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5192 [H][C@]1(N[C@H](C[C@H]1C(=O)CC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5193 [H][C@]1(N[C@H](C[C@H]1C(=O)NC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5195 [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5196 [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5197 [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5198 [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5199 [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5200 [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5201 [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5202 [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5205 [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r|
BDBM5206 [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r|
BDBM5207 [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5214 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCCC(F)(F)F)C(O)=O |r,c:8|
BDBM5219 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |r,c:5|
BDBM5227 CCC(CC)N(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5228 CN(CCc1ccccc1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM5229 CN(C1CCCCC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5239 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1Cl |r,c:18|
BDBM5240 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1SC |r,c:18|
BDBM5222 CCCO[C@@H]1C=C(C[C@H](N=CN)[C@H]1NC(C)=O)C(O)=O |r,w:10.10,c:5|
BDBM5224 CCCO[C@@H]1C=C(C[C@H](N=C(N)NC)[C@H]1NC(C)=O)C(O)=O |r,w:10.10,c:5|
BDBM5231 CCCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5232 CCCN(CCC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5237 CCC(CC)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5252 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC1)C(O)=O |r,c:8|
BDBM5257 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCOCC1)C(O)=O |r,c:8|
BDBM5194 [H][C@]1(N[C@H](C[C@H]1N)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5203 [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5213 COCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5243 CCC(CC)C(=O)N1N=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5244 [#6]-[#6]-[#6](-[#6]-[#6])-[#6](=O)-[#7]-1-[#7]=[#6](-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
BDBM5245 CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5246 [H][C@@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5247 [H][C@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5248 [H][C@@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5249 [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5268 CCC(CC)Nc1cc(ccc1NC(C)=O)C(O)=O
BDBM5269 CCC(CC)Oc1cc(ccc1NC(C)=O)C(O)=O
BDBM5272 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
BDBM5215 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCC=C)C(O)=O |r,c:8|
BDBM5216 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC1CCCC1)C(O)=O |r,c:8|
BDBM5220 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |r,c:5|
BDBM5271 CCC(CC)Oc1cc(cc(N)c1NC(C)=O)C(O)=O
BDBM5221 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O |r,c:5|
BDBM5225 CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5226 CCCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5253 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCC1)C(O)=O |r,c:8|
BDBM5254 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCCC1)C(O)=O |r,c:8|
BDBM5255 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCCCC1)C(O)=O |r,c:8|
BDBM5256 CCC1(CC)CN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5273 CC(=O)Nc1ccc(cc1O)C(O)=O
BDBM5274 CC(=O)Nc1ccc(cc1N)C(O)=O
BDBM5278 NC(=N)Nc1cc(ccc1N1CCCC1=O)C(O)=O
BDBM5279 NC(=N)Nc1cc(ccc1N1C(CO)CCC1=O)C(O)=O
BDBM5230 CCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5233 CCCN[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5234 CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5235 CCC(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5236 CC(C)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5238 CCCS[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5258 CN1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5259 CC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5260 CCC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5261 CCCC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM5262 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1C2CCC1CCC2)C(O)=O |r,c:8|
BDBM5263 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC[C@@H]1CO)C(O)=O |r,c:8|
BDBM5265 [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#6]=[#6](-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] |r,c:6|
BDBM5266 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6@H]-1-[#8]-[#6](=[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:11|
BDBM5267 CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O
BDBM5270 CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O
BDBM5242 CCCC[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5250 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCC1)C(O)=O |r,c:8|
BDBM5251 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCC1)C(O)=O |r,c:8|
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM11021 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
BDBM13015 NCC(O)c1ccccc1
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM23411 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
BDBM23451 Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
BDBM23419 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM23420 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
BDBM50580 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
BDBM60918 Nc1ccc(O)c(c1)C(O)=O
BDBM61776 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
BDBM69609 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-1
BDBM50009296 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO |r,c:3|
BDBM76798 CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
BDBM96228 COc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
BDBM139226 CC(=O)N[C@H]1CS(=O)(=O)C2[C@H](C[C@@H](NC(N)=N)C12)C(O)=O |r|
BDBM139224 CC(=O)N[C@H]1CC[C@@H]2[C@H](C[C@@H](N\C(NC(=O)OCc3ccccc3)=N\C(=O)OCc3ccccc3)[C@H]12)O[Si](C)(C)C(C)(C)C |r|
BDBM139223 CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](NC(N)=N)[C@H]12)C(O)=O |r|
BDBM139222 CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r|
BDBM50011421 [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50033722 [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
BDBM50033731 CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
BDBM50033737 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033741 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](-[#6])=O)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50032861 CC(=O)NC1C(O)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |c:7|
BDBM50040516 [#6]-[#6](=O)-[#7]-[#6]-1-[#6](-[#8]-[#6](=[#6]-[#6]-1\[#7+]=[#6](\[#7])-[#7])-[#6](-[#8-])=O)-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] |c:7|
BDBM50040515 CC(=O)NC1C([NH3+])C=C(OC1[C@H](O)[C@H](O)CO)C([O-])=O |c:7|
BDBM50042944 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
BDBM50049395 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
BDBM50059988 Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:12.11,5.4|
BDBM50063302 CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50063303 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50068267 COc1cc(O)ccc1\C=C\C(=O)c1ccc(O)cc1
BDBM50068270 COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
BDBM50078325 [#7]-[#6]-[#6]-1-[#6]-[#6]-[#6](=O)-[#7]-1-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM50078329 CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O
BDBM50078330 [#7]\[#6](-[#7])=[#7]\c1cc(ccc1-[#7]1-[#6](=O)-[#6]-[#6]C1([#6]-[#8])[#6]-[#8])-[#6](-[#8])=O
BDBM50078331 CCC(CC)Nc1cc(ccc1N1CCCC1=O)C(O)=O
BDBM50078332 CC(=O)N[C@H]1[C@H](O)C[C@](O)(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O
BDBM50078326 OCC1(CO)CCC(=O)N1c1ccc(cc1)C(O)=O
BDBM50078328 CC(=O)N[C@H]1[C@H](O)C=C(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O |c:7|
BDBM50083322 CCN(CC)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:9|
BDBM50083326 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:9|
BDBM50083327 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:17|
BDBM50083328 [#6]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:7|
BDBM50083329 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1[N+](C)(C)C)C(O)O)C(O)[C@H](O)CO |c:7|
BDBM50083331 [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:6|
BDBM50083333 [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])-[#8])\[#7]=[#6](\[#7])-[#7] |c:6|
BDBM50083321 CCNC(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:7|
BDBM50083323 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7|
BDBM50083324 CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7|
BDBM50083325 CN(C)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:7|
BDBM50083330 CNC(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:6|
BDBM50083332 CC(=O)N[C@@H]1[C@H]([NH3+])C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7|
BDBM50083319 CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(=O)NCCc1ccccc1)C(O)O |c:7|
BDBM50083320 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:17|
BDBM50092140 [#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](-[#6])=O)-[#6@@H]-1-[#6]-[#6](-[#6]-[#6@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50092141 CC(=O)N[C@@H]([C@H](O)[C@H](O)CO)[C@H]1OC(O)(C[C@@H]1O)C(O)=O
BDBM50097648 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |c:17|
BDBM50097649 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@@H](O)[C@H]1NC(C)=O)C(O)=O |c:17|
BDBM50097650 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:17|
BDBM50097651 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](NCC)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50097652 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O |c:11|
BDBM50097653 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(C)C)C(O)=O |c:11|
BDBM50097654 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |c:11|
BDBM50097655 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |c:11|
BDBM50097656 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C1CC1)C(O)=O |c:17|
BDBM50097657 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CCC)C(O)=O |c:17|
BDBM50097658 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50097659 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |c:17|
BDBM50097660 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](NC)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50097661 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=CC[C@H]1NC(C)=O)C(O)=O |c:17|
BDBM50098746 CCN(C(C)C)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098747 CCN(CC)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098749 CC(C)N(CCCO)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098750 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C=C)C(O)=O
BDBM50098731 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)CC)C(O)=O
BDBM50098733 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(C)=O)C(O)=O
BDBM50098732 CC(C)N(CCCN)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098734 CC(C)N(CCO)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098735 CC(C)N(C(C)C)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098736 CC(C)N(CCCCC(O)=O)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098737 CC(C)N(CCCC(O)=O)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098738 CCC(CC)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098739 CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](C1)C(O)=O |r|
BDBM50098740 CC(C)N(CCc1ccccn1)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098741 [#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-1)-[#6](-[#8])=O
BDBM50098742 CC(C)N(CCCCCO)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098743 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNS(C)(=O)=O)C(O)=O
BDBM50098744 CCCN(CCC)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098745 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(O)=O
BDBM50135167 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 |r|
BDBM50149227 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1NCCCc1ccccc1)C(O)=O |c:8|
BDBM50149228 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N)C(O)=O |c:8|
BDBM50157213 CC(C)C[C@H](NC(C)=O)[C@@H]1O[C@H](C[C@H]1c1cnc[nH]1)C(O)=O
BDBM50157212 COC(=O)[C@@H]1C[C@@H](O[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
BDBM50155446 Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
BDBM50157304 Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
BDBM50165355 [#6]-[#6](=O)-[#7]-[#6]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |c:6|
BDBM50165356 [#6]-[#6](=O)-[#7]-[#6]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6@H](-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6@H](-[#6](-[#8])-[#6]-[#8])-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)-[#6](-[#8])-[#6]-[#8] |c:7,46|
BDBM50200395 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]C([#6])([#6])[#8])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50203126 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
BDBM50212400 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50219487 OC(=O)c1ccc2ccccc2c1O
BDBM50226670 COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O
BDBM50233731 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](O)C=C)C(O)=O
BDBM50233721 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1)C(O)=O |c:16|
BDBM50233722 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1)C(O)=O |c:16|
BDBM50233723 CCC[C@@](C)(O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233724 CCC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233726 CCO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233727 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](OCC=C)C=C)C(O)=O
BDBM50233728 CO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233729 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](O)CC=C)C(O)=O
BDBM50233730 CCC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233738 CC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233732 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC=C)C(O)=O
BDBM50233733 CCO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233734 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](CC=C)OCC=C)C(O)=O
BDBM50233735 CO[C@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233736 CCO[C@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233737 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1)C(O)=O |c:17|
BDBM50233742 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](O)C=C)C(O)=O
BDBM50233739 CCCC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233740 CCCC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233741 CO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233744 CC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
BDBM50233745 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](C)O)C(O)=O
BDBM50233743 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](CC=C)OCC=C)C(O)=O
BDBM50241052 Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
BDBM50241242 OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241243 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50233725 C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](C)O)C(O)=O
BDBM50241408 Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r|
BDBM50242276 OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50242284 O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50241354 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241367 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50262390 Oc1c(O)c(CN2CCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262391 Oc1c(O)c(CN2CCCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262444 CN1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50293815 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(N)N)C(O)=O)[C@H](OC(=O)NCc1cn(CCOCOc2ccc(cc2)-c2c3ccc(n3)c(-c3ccc(OCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc([nH]3)c(-c3ccc(OCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc(n3)c(-c3ccc(OCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc2[nH]3)nn1)[C@H](O)CO |r,wU:124.132,61.63,66.69,17.18,5.5,9.10,160.171,173.185,70.73,62.65,wD:115.122,75.79,192.209,4.3,159.169,164.175,110.116,119.126,111.118,168.179,c:7,71,124,177,(3.78,-18.61,;2.47,-19.43,;2.52,-20.97,;1.11,-18.7,;-.19,-19.51,;-1.55,-18.78,;-2.86,-19.58,;-2.82,-21.13,;-1.45,-21.85,;-.14,-21.05,;1.21,-21.77,;1.26,-23.31,;2.62,-24.05,;-.04,-24.12,;-4.12,-21.94,;-4.07,-23.47,;-5.48,-21.2,;-1.58,-17.24,;-.27,-16.44,;-.32,-14.9,;-1.67,-14.16,;1,-14.11,;.94,-12.57,;2.26,-11.76,;3.55,-12.6,;4.74,-11.63,;6.2,-12.14,;7.36,-11.14,;8.82,-11.65,;9.99,-10.65,;11.44,-11.17,;12.64,-10.14,;12.31,-8.63,;13.44,-7.59,;14.91,-8.05,;15.25,-9.55,;14.12,-10.6,;16.05,-7.01,;15.71,-5.51,;14.29,-4.9,;14.44,-3.36,;15.94,-3.03,;16.72,-4.36,;16.33,-1.54,;15.21,-.47,;15.59,1.02,;14.48,2.09,;13.01,1.67,;11.89,2.73,;10.41,2.3,;9.31,3.37,;7.83,2.94,;6.71,4,;5.24,3.57,;3.98,2.68,;2.75,3.6,;1.27,3.14,;1.05,1.62,;-.27,.83,;-1.62,1.58,;-.25,-.71,;-1.57,-1.5,;-2.91,-.75,;-2.93,.78,;-4.24,-1.55,;-5.57,-.8,;-1.54,-3.04,;-2.87,-3.81,;-2.87,-5.34,;-1.54,-6.11,;-.21,-5.34,;1.13,-6.11,;1.12,-7.65,;2.46,-8.43,;-.21,-8.43,;-.21,-3.79,;1.12,-3.02,;2.46,-3.78,;3.79,-3.01,;2.47,-5.32,;-4.19,-6.11,;-4.21,-7.65,;-5.54,-5.34,;3.24,5.06,;4.78,5.04,;12.64,.16,;13.74,-.9,;17.8,-1.1,;18.31,.35,;19.85,.31,;20.28,-1.16,;19.02,-2.04,;21.76,-1.6,;22.87,-.52,;24.35,-.95,;25.44,.12,;25.07,1.62,;26.22,2.64,;27.69,2.15,;28.83,3.17,;30.29,2.68,;31.45,3.7,;32.91,3.21,;34.17,2.34,;35.4,3.28,;36.87,2.84,;37.14,1.33,;38.59,.81,;39.77,1.79,;38.87,-.71,;40.31,-1.24,;41.64,-.48,;41.66,1.06,;42.98,-1.25,;44.32,-.49,;40.32,-2.78,;41.67,-3.53,;41.67,-5.07,;40.34,-5.86,;39.01,-5.09,;37.66,-5.83,;37.6,-7.37,;36.25,-8.11,;38.91,-8.18,;39,-3.56,;37.63,-2.84,;36.33,-3.67,;34.97,-2.95,;36.39,-5.21,;43.17,-5.46,;43.57,-6.96,;44.25,-4.37,;34.88,4.73,;33.34,4.69,;23.58,2.03,;22.48,.96,;22.17,-3.09,;23.61,-3.63,;23.53,-5.17,;22.04,-5.57,;21.2,-4.29,;21.49,-7.01,;22.53,-8.14,;22.07,-9.62,;23.11,-10.75,;24.62,-10.4,;25.66,-11.53,;27.16,-11.19,;28.21,-12.32,;29.71,-11.98,;30.76,-13.11,;32.26,-12.77,;33.47,-13.72,;34.75,-12.86,;36.07,-13.66,;35.94,-15.19,;37.2,-16.07,;38.59,-15.43,;37.21,-17.61,;38.55,-18.38,;39.88,-17.6,;41.21,-18.37,;39.86,-16.06,;41.2,-15.29,;38.56,-19.92,;39.9,-20.67,;39.9,-22.22,;38.58,-22.99,;37.24,-22.23,;35.92,-23.01,;35.92,-24.55,;34.6,-25.34,;37.26,-25.32,;37.23,-20.7,;35.9,-19.93,;34.57,-20.71,;33.23,-19.94,;34.58,-22.25,;41.25,-22.98,;41.26,-24.53,;42.58,-22.2,;34.33,-11.38,;32.79,-11.32,;25.07,-8.92,;24.02,-7.8,;20.01,-7.45,;19.54,-8.92,;18,-8.94,;17.52,-7.48,;18.75,-6.56,;4.2,-10.19,;2.65,-10.27,;-2.94,-16.51,;-4.25,-17.32,;-2.98,-14.97,;-4.33,-14.25,)|
BDBM50293816 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(N)N)C(O)=O)[C@H](OC(=O)NCc1cn(CCOCCOCCOCCNC(=O)COc2ccc(cc2)-c2c3ccc(n3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc([nH]3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc(n3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc2[nH]3)nn1)[C@H](O)CO |r,wU:204.215,217.229,157.165,17.18,5.5,9.10,83.85,88.91,92.95,84.87,wD:203.213,208.219,212.223,143.149,144.151,148.155,152.159,4.3,236.253,97.101,c:7,93,157,221,(-14.71,-25.22,;-16.08,-25.94,;-16.15,-27.46,;-17.38,-25.11,;-18.74,-25.82,;-20.03,-24.99,;-21.4,-25.69,;-21.47,-27.23,;-20.17,-28.06,;-18.81,-27.35,;-17.52,-28.18,;-17.57,-29.72,;-16.29,-30.56,;-18.96,-30.45,;-22.85,-27.94,;-22.93,-29.49,;-24.14,-27.12,;-19.96,-23.46,;-18.6,-22.75,;-18.52,-21.21,;-19.81,-20.37,;-17.14,-20.5,;-17.07,-18.97,;-15.71,-18.26,;-14.48,-19.19,;-13.2,-18.31,;-11.66,-18.35,;-10.93,-19.7,;-9.39,-19.75,;-8.65,-21.09,;-7.12,-21.12,;-6.37,-22.48,;-4.83,-22.52,;-4.09,-23.87,;-2.55,-23.9,;-1.82,-25.25,;-.28,-25.29,;.45,-26.64,;1.99,-26.67,;2.79,-25.35,;2.74,-28.02,;4.28,-28.05,;5.49,-27.03,;5.16,-25.51,;6.3,-24.47,;7.77,-24.94,;8.1,-26.43,;6.97,-27.48,;8.9,-23.9,;8.56,-22.4,;7.14,-21.78,;7.29,-20.25,;8.8,-19.92,;9.57,-21.25,;9.17,-18.42,;8.06,-17.36,;8.45,-15.86,;7.34,-14.8,;5.85,-15.22,;4.75,-14.16,;3.27,-14.58,;2.16,-13.51,;.89,-14.38,;2.12,-11.97,;.76,-11.23,;.73,-9.69,;-.62,-8.97,;-.67,-7.42,;-2.02,-6.69,;-2.06,-5.15,;-3.42,-4.41,;-3.45,-2.87,;-4.8,-2.14,;-4.84,-.6,;-6.2,.14,;-6.25,1.69,;-7.59,2.43,;-7.29,3.93,;-8.34,5.06,;-9.84,4.73,;-11.05,5.67,;-10.85,7.2,;-12.48,5.09,;-13.7,6.02,;-13.49,7.55,;-12.09,8.13,;-14.73,8.52,;-14.53,10.01,;-15.12,5.44,;-16.29,6.47,;-17.73,5.97,;-18.03,4.45,;-16.89,3.44,;-17.2,1.94,;-18.66,1.47,;-18.98,-.06,;-19.83,2.46,;-15.41,3.93,;-14.25,2.92,;-14.56,1.4,;-13.4,.39,;-16.03,.91,;-18.88,7,;-20.37,6.5,;-18.58,8.51,;-5.77,4.13,;-5.12,2.72,;5.49,-16.72,;6.59,-17.79,;10.65,-17.98,;11.16,-16.53,;12.7,-16.58,;13.14,-18.04,;11.88,-18.92,;14.61,-18.48,;15.72,-17.41,;17.19,-17.84,;18.29,-16.76,;17.92,-15.27,;19.07,-14.24,;19.95,-12.99,;21.48,-13.13,;22.15,-14.53,;22.39,-11.89,;23.92,-12.04,;24.82,-10.8,;26.36,-10.95,;27.26,-9.7,;28.78,-9.86,;29.69,-8.61,;31.22,-8.77,;32.12,-7.52,;33.66,-7.67,;34.56,-6.42,;36.09,-6.58,;36.99,-5.33,;38.44,-5.84,;39.38,-4.61,;40.91,-4.64,;41.65,-5.99,;43.19,-6.01,;43.99,-4.69,;43.93,-7.36,;45.46,-7.39,;46.39,-6.16,;45.78,-4.74,;47.92,-6.34,;48.84,-5.11,;46.11,-8.8,;47.64,-8.79,;48.4,-10.13,;47.62,-11.47,;46.08,-11.45,;45.17,-12.7,;45.79,-14.1,;44.87,-15.34,;47.32,-14.28,;45.32,-10.11,;43.78,-10.15,;43.04,-11.5,;41.51,-11.54,;43.85,-12.82,;49.89,-9.73,;50.98,-10.81,;50.28,-8.24,;38.5,-3.34,;37.02,-3.78,;16.42,-14.85,;15.33,-15.93,;15.02,-19.97,;16.45,-20.52,;16.38,-22.06,;14.88,-22.46,;14.05,-21.16,;14.34,-23.9,;15.38,-25.03,;14.91,-26.5,;15.96,-27.63,;17.47,-27.28,;18.5,-28.42,;19.99,-28.78,;21.07,-27.68,;20.65,-26.2,;22.56,-28.07,;23.84,-27.21,;25.23,-27.9,;26.51,-27.05,;27.89,-27.74,;29.17,-26.89,;30.55,-27.58,;31.83,-26.73,;33.21,-27.42,;34.49,-26.57,;35.88,-27.25,;37.16,-26.41,;38.53,-27.1,;38.69,-28.64,;40.21,-28.95,;40.57,-30.44,;39.37,-31.42,;39.62,-32.94,;41.06,-33.49,;38.42,-33.92,;38.68,-35.44,;40.12,-35.98,;40.37,-37.5,;41.31,-35.01,;42.75,-35.56,;37.57,-36.52,;37.96,-38.01,;36.86,-39.08,;35.38,-38.66,;35,-37.17,;33.52,-36.76,;32.4,-37.82,;30.92,-37.42,;32.78,-39.33,;36.1,-36.1,;35.73,-34.61,;34.25,-34.18,;33.87,-32.69,;33.14,-35.26,;37.24,-40.57,;36.13,-41.66,;38.72,-41,;40.98,-27.61,;39.93,-26.47,;17.92,-25.81,;16.87,-24.68,;12.86,-24.34,;12.39,-25.81,;10.85,-25.83,;10.37,-24.37,;11.61,-23.44,;-13.65,-16.84,;-15.19,-16.8,;-21.26,-22.62,;-22.62,-23.33,;-21.19,-21.09,;-22.49,-20.25,)|
BDBM50288447 CCNC(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:7|
BDBM50288448 CNC(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:6|
BDBM50289700 CCCO[C@@H]1C=C(C[C@H](NC=N)[C@H]1NC(C)=O)C(O)=O |c:5|
BDBM50292332 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
BDBM50290062 CCCCc1noc(n1)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:12|
BDBM50290063 CCCn1nc(Cc2ccccc2)nc1[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19|
BDBM50290064 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(C)no1)C(O)=O |c:7|
BDBM50290065 CCCn1nc(nc1Cc1ccccc1)[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19|
BDBM50290066 CCCCc1nnc([C@@H]2OC(=C[C@H](N)[C@H]2NC(C)=O)C(O)=O)n1CCC |c:10|
BDBM50290067 CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(O[C@H]1c1nnc(Cc2ccccc2)[nH]1)C(=O)OC(c1ccccc1)c1ccccc1 |c:14|
BDBM50290068 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(no1)-c1ccccc1)C(O)=O |c:7|
BDBM50290069 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(Cc2ccccc2)no1)C(O)=O |c:7|
BDBM50289701 CCCO[C@@H]1C=C(C[C@H](N=C(N)NC)[C@H]1NC(C)=O)C(O)=O |w:10.10,c:5|
BDBM50289699 [#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:5|
BDBM50288444 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:17|
BDBM50288445 [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:13|
BDBM50288446 [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:6|
BDBM50295348 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295349 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](C)(C)CCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295350 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295343 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](C)(C)CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295344 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295345 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295346 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)c1ccccc1)C(O)=O |r|
BDBM50295347 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)c1ccccc1)C(O)=O |r|
BDBM50300189 O[C@@H](CC\C=C\c1ccccc1)CCc1ccccc1 |r|
BDBM50300191 O=C(CCc1ccccc1)C=CC=Cc1ccccc1 |w:10.10,12.12|
BDBM50310189 COc1ccc(cc1)-c1cc(=O)c2ccccc2o1
BDBM50300188 O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(O1)cc(\C=C\c1ccccc1)oc2=O |r|
BDBM50300190 O[C@@H](CCc1ccccc1)C[C@H](O)\C=C\c1ccccc1 |r|
BDBM50300192 O=C(CCc1ccccc1)CC(=O)C=Cc1ccccc1 |w:13.13|
BDBM50320763 CC(=O)N[C@@H]1[C@@H](NCCCCC(O)=O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:14|
BDBM50320764 CC(=O)N[C@@H]1[C@@H](NCCCC(O)=O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:13|
BDBM50320765 CC(=O)N[C@@H]1[C@@H](NCCCCN)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:12|
BDBM50320766 CC(=O)N[C@@H]1[C@@H](NCCCN)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:11|
BDBM50320767 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCCCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320768 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCOCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320769 CN1CCN(CC1)C(=O)CCCN([C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:15|
BDBM50320770 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCNCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320771 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(O)=O)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320772 CC(=O)N[C@H]1C(OC(=C[C@@H]1N(CCCCN)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320773 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCN)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320774 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)NCCCCN |r,w:20.21,c:6|
BDBM50320775 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)NCCCN |r,w:20.21,c:6|
BDBM50320776 [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1)-[#6](-[#8])=O)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:7|
BDBM50323214 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
BDBM50323199 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|
BDBM50330326 [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
BDBM50338301 Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|
BDBM50343681 CCC(CC)O[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM50343680 CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:9|
BDBM50343682 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
BDBM50343683 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCCO)nn1)C(O)=O |r,c:8|
BDBM50343684 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:8|
BDBM50343685 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:8|
BDBM50343686 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8|
BDBM50343687 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCCC1)C(O)=O |r,c:8|
BDBM50343688 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCC1)C(O)=O |r,c:8|
BDBM50343689 CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8|
BDBM50343690 CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:9|
BDBM50352808 COC(CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)OC
BDBM50352809 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50352810 COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(O)C(C)=C
BDBM50352811 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50352812 COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1C\C=C(/C)CCC(O)C(C)=C
BDBM50354141 OCCN1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354142 OC1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354143 CC1CCCCN1Cc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50354144 C[C@H]1COC[C@@H](C)N1Cc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1 |r|
BDBM50354145 OCC1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354146 OC1CCCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)C1
BDBM50354147 Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1CN1CCCC1
BDBM50354148 CN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354149 Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1CN1CCOCC1
BDBM50354150 OC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)C1
BDBM50354151 OC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354152 OCCN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354153 OCC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354154 Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)c(CN3CCCCC3)c2o1
BDBM50354155 OC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)C1
BDBM50354156 OCC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)CC1
BDBM50354157 Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)c(CN3CCOCC3)c2o1
BDBM50354158 CN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)CC1
BDBM50354159 C[C@H]1COC[C@@H](C)N1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r|
BDBM50354160 CC1CCCCN1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50354161 OC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354162 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCOCC3)c2o1
BDBM50354163 CC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)C1
BDBM50354164 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccccc4)CC3)c2o1
BDBM50354165 O[C@H]1COC[C@@H](O)N1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
BDBM50354166 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCC(Cc4ccccc4)CC3)c2o1
BDBM50354167 OC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)C1
BDBM50354168 OCC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354169 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCCC3)c2o1
BDBM50354170 CC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354171 CN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354172 OC[C@@H]1CCCN1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
BDBM50359306 N[C@H]1CC[C@](O)(C1)C(O)=O |r|
BDBM50359307 [#7]\[#6](-[#7])=[#7]\[#6@H]-1-[#6]-[#6][C@]([#8])([#6]1)[#6](-[#8])=O |r|
BDBM50359308 CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r|
BDBM50360450 CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50360451 OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r|
BDBM50360452 CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50349975 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1coc2cc(-[#8])cc(-[#8])c2c1=O
BDBM50349976 CC1(C)Oc2ccc(cc2C=C1)-c1coc2cc(O)ccc2c1=O |c:11|
BDBM50363411 Clc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
BDBM50363755 [#6]\[#6](-[#6])=[#6]\[#6]=[#6]-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:5.5|
BDBM50363752 [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-c1coc(c1)-c1cc(-[#8])ccc1-[#8]
BDBM50363753 [#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-c1coc(c1)-c1cc(-[#8])ccc1-[#8]
BDBM50363754 [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-c1coc(c1)-c1cc(-[#8])ccc1-[#8]
BDBM50362886 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
BDBM50370984 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
BDBM50371257 CCC[C@](C)(OC)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O |r|
BDBM50009295 O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
BDBM50401398 CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:6|
BDBM50401399 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7|
BDBM50401400 [#6]-[#6]-[#8]P([#8])(=O)[#6]-1=[#6]-[#6@@H](-[#8]-[#6](-[#6]-[#6])-[#6]-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6]-1)\[#7]=[#6](\[#7])-[#7] |r,t:6|
BDBM50401401 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)P([#8])([#8])=O |r,c:7|
BDBM50401402 CCOP(=O)(OCC)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
BDBM50421224 OC(=O)[C@@H]1CSC(N1)c1ccccc1 |r|
BDBM50428069 CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
BDBM50428070 CC(=O)N[C@H]1[C@H](CN(Cc2ccccc2)OCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:26|
BDBM50428071 CC(=O)N[C@H]1[C@H](CNOCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:18|
BDBM50428072 CC(=O)N[C@H]1[C@H](CNc2ccc(cc2)-c2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:23|
BDBM50428073 CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16|
BDBM50428074 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=[N+]=[N-] |r,c:6|
BDBM50428075 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7|
BDBM50428076 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNCc1ccccc1)C(O)=O |r,c:7|
BDBM50428077 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNc1ccccc1)C(O)=O |r,c:7|
BDBM50428078 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1CNc1ccccc1)C(O)=O |r,c:7|
BDBM50441624 CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12|
BDBM50016374 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7|
BDBM50016375 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1c[nH]c2ccccc12 |r,c:7|
BDBM50016376 CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8|
BDBM50016377 CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10|
BDBM50016378 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7|
BDBM50016372 CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
BDBM50016373 CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:10|
BDBM50021398 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
BDBM50028482 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NO |r,c:7|
BDBM50028483 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NO |r,c:7|
BDBM50028484 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1cccs1)C(N)=N)C(O)=O |r,c:7|
BDBM50028486 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1)C(N)=N)C(O)=O |r,c:7|
BDBM50028487 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccc(cc1)C(C)C)C(N)=N)C(O)=O |r,c:7|
BDBM50028488 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1OC)C(N)=N)C(O)=O |r,c:7|
BDBM50028490 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccc(cc1)-c1ccccc1)C(N)=N)C(O)=O |r,c:7|
BDBM50028496 CCCN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:6|
BDBM50028497 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CC(C)C)C(N)=N)C(O)=O |r,c:7|
BDBM50028498 CCCCCN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:8|
BDBM50028500 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CCC(C)C)C(N)=N)C(O)=O |r,c:7|
BDBM50028501 CCC(CC)CN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:9|
BDBM50028502 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CCCc1ccccc1)C(N)=N)C(O)=O |r,c:7|
BDBM50028503 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028504 CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM50028505 CCCCN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028507 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028508 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028509 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2OC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028512 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Br)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028513 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2F)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028514 CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028516 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028517 CCC(CC)O[C@@H]1C=C(C[C@H](NCCCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028518 CCC(CC)O[C@@H]1C=C(C[C@H](NCCCN)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028519 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2OCc2ccco2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028520 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2OCC=C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028521 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028523 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028524 CC(=O)N[C@@H]1[C@@H](O)C(C\C=C\c2ccc(C)cc2)=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:18|
BDBM50028525 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50037545 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOC |r,c:7|
BDBM50037546 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7|
BDBM50037548 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O |r,c:7|
BDBM50037549 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)C(F)(F)F |r,c:7|
BDBM50037550 CCCCS(=O)(=O)NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:10|
BDBM50037551 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1 |r,c:7|
BDBM50037552 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O |r,c:7|
BDBM50037553 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)C(F)(F)F |r,c:7|
BDBM50037554 CCCCS(=O)(=O)NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10|
BDBM50037555 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1 |r,c:7|
BDBM50037556 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOC |r,c:7|
BDBM50037587 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7|
BDBM50028499 CCCCN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:7|
BDBM50028510 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028511 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028522 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028506 CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50037547 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCCCc1cc2ccccc2[nH]1 |r,c:7|
BDBM50037601 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCCCc1cc2ccccc2[nH]1 |r,c:7|
BDBM174832 Oc1cc(O)c2c(c1)oc1ccccc1c2=O
BDBM50030257 C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1
BDBM50030259 C1Oc2cc3CC[n+]4cc5cc6OCOc6cc5cc4-c3cc2O1
BDBM50030260 COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4c(C)c3-c2cc1OC
BDBM50030258 COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4c(C)c-23)cc1O
BDBM50056315 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM50143051 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)[C@H](N)CCSC)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143052 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143053 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143054 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143055 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143056 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1cccc(OC)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143058 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1cccc(OC)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143048 [H][C@@]1(O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50143049 [H][C@@]1(O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](CO)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50143050 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)[C@H](N)CCSC)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM234429 CC(C)[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234430 CCOC(=O)Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)n1 |r|
BDBM234432 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234433 CC(C)C[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234434 CCOC(=O)Cc1csc(NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)n1 |r|
BDBM234435 CCOC(=O)Cc1csc(NC(=O)[C@@H](N)CCSC)n1 |r|
BDBM234436 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234437 CSCC[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234438 CCOC(=O)Cc1csc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1 |r|
BDBM234439 CCOC(=O)Cc1csc(NC(=O)[C@@H](N)Cc2ccccc2)n1 |r|
BDBM234440 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234441 N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234423 CCOC(=O)Cc1csc(NC(=O)[C@@H](N)[C@H](C)CC)n1 |r|
BDBM50114967 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occ(-c3ccc(-[#8])cc3)c(=O)c2c1-[#8]
BDBM234413 CC(=O)Nc1nc(C)cs1
BDBM234414 CCOC(=O)Cc1csc(NC(=O)CNC(=O)OC(C)(C)C)n1
BDBM234415 CCOC(=O)Cc1csc(NC(=O)CN)n1
BDBM234416 CC(C)(C)OC(=O)NCC(=O)Nc1nc(CC(O)=O)cs1
BDBM234417 NCC(=O)Nc1nc(CC(O)=O)cs1
BDBM234418 CCOC(=O)Cc1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1 |r|
BDBM234419 CCOC(=O)Cc1csc(NC(=O)[C@H](C)N)n1 |r|
BDBM234420 C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234421 C[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234422 CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)n1 |r|
BDBM234424 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234425 CC[C@@H](C)[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM234426 CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 |r|
BDBM234427 CCOC(=O)Cc1csc(NC(=O)[C@@H](N)C(C)C)n1 |r|
BDBM234428 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1 |r|
BDBM50182216 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
BDBM50176814 OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:19|
BDBM50176806 OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:20|
BDBM50176807 OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:20|
BDBM50181437 [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC)[C@@H](NC(C)=O)C(CC)CC |r,c:2|
BDBM50181438 [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(O)=O)[C@@H](NC(C)=O)C(CC)CC |r|
BDBM50181444 [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(O)=O)[C@@H](NC(C)=O)C(CC)CC |r,c:2|
BDBM50182248 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)C1CC1 |r,c:9|
BDBM50182249 OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM50176801 CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O |t:1|
BDBM50181439 [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCC)[C@@H](NC(C)=O)C(CC)CC |r|
BDBM50181440 [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC)[C@@H](NC(C)=O)C(CC)CC |r|
BDBM50181447 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC |r|
BDBM50181441 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
BDBM50181442 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(O)=O |r|
BDBM50181445 [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(=O)OCC)[C@@H](NC(C)=O)C(CC)CC |r,c:2|
BDBM50181446 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCC |r|
BDBM50206321 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206331 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206332 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(F)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206325 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:27|
BDBM50206326 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206328 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2OC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206329 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(Cl)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206330 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206333 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2ccc3ccccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206335 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206355 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(N)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206356 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(C)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206357 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:28|
BDBM50206358 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:29|
BDBM50206359 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(c2)C(=O)OCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206322 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(N)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206323 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:26|
BDBM50206324 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(F)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206327 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2=CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3,t:19|
BDBM50219980 [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6@H](-[#8])-[#6]-[#8])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:14|
BDBM50219981 OC(=O)C(F)(F)F.[H][C@@](N)([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:16|
BDBM50219982 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50219983 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:25|
BDBM50219984 OC(=O)C(F)(F)F.[H][C@@](N=[N+]=[N-])([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:18|
BDBM50219985 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](-[#6])=O)([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:19|
BDBM50219986 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50219987 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:20|
BDBM50219988 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(F)(F)[C@H](O)CO |c:9|
BDBM50219989 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:33|
BDBM50219990 OC(=O)C(F)(F)F.[H][C@@](F)([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:16|
BDBM50219991 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCN=[N+]=[N-])[C@H](O)CO |c:9|
BDBM50219992 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:9|
BDBM50219993 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCO)[C@H](O)CO |c:9|
BDBM50219994 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50219995 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |c:9|
BDBM50219996 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCN)[C@H](O)CO |c:9|
BDBM50219997 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6]-[#6]-[#6] |c:9|
BDBM50219998 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCC1CCCCC1)[C@H](O)CO |c:9|
BDBM50219999 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220000 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220001 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220002 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCC1CCCCC1)[C@H](O)CO |c:9|
BDBM50220003 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |c:9|
BDBM50220004 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6] |c:9|
BDBM50220005 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6] |c:9|
BDBM50220006 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220007 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50222706 [H][C@]1(OCC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222708 [H][C@@]1(C[C@@H](O)[C@@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222713 [H][C@]1(OC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:12|
BDBM50222707 [H][C@]1(C[C@H](O)[C@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222710 [H][C@]1(OCC(F)(F)[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:15|
BDBM50222711 [H][C@@]1(C[C@H](O)[C@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222712 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@]1([H])OCCC[C@@H](O)[C@H]1O |c:3|
BDBM50222714 [H][C@]1(C[C@@H](O)[C@@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222715 [H][C@@]1(CCCCO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50240106 CCOc1cc(NC(C)=O)ccc1C(=O)OC
BDBM50253160 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8])ccc1-[#8]
BDBM50249470 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50268290 Oc1ccc2oc3cccc(O)c3c(=O)c2c1
BDBM50272930 OC(CNS(=O)(=O)c1ccc(cc1)C#N)\C=C\c1ccccc1
BDBM50271264 [H][C@]1(O[C@](F)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)CCO |r|
BDBM50272459 OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|
BDBM50272929 OC(CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)\C=C\c1ccccc1
BDBM50272949 COc1ccc(cc1)S(=O)(=O)NCC(O)\C=C\c1ccccc1
BDBM50272926 COc1ccccc1C(O)CN
BDBM50272927 COC(=O)c1ccc(cc1)S(=O)(=O)NCC(O)\C=C\c1ccccc1
BDBM50272928 OC(CNS(=O)(=O)c1ccc(F)cc1)\C=C\c1ccccc1
BDBM50272931 NCC(O)\C=C\c1ccccc1
BDBM50272932 COc1cccc(c1)C(O)CN
BDBM50272933 NCC(O)c1ccsc1
BDBM50272934 OC(CNS(=O)(=O)c1ccccc1)\C=C\c1ccccc1
BDBM50272936 CC(C)(C)OC(=O)N\C(NCC(O)\C=C\c1ccccc1)=N\C(=O)OC(C)(C)C
BDBM50272937 OC(CNS(=O)(=O)c1ccc(Cl)cc1)\C=C\c1ccccc1
BDBM50272938 OC(CNS(=O)(=O)c1ccc(Br)cc1)\C=C\c1ccccc1
BDBM50272939 Cc1ccc(cc1)S(=O)(=O)NCC(O)\C=C\c1ccccc1
BDBM50272941 COc1ccccc1S(=O)(=O)NCC(O)\C=C\c1ccccc1
BDBM50271265 [H][C@]1(O[C@](F)([C@H](F)C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50271266 [H][C@]1(O[C@](F)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@@H](C)O |r|
BDBM50271273 CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](F)(O[C@H]1C[C@H](O)CO)C(O)=O |r|
BDBM50272942 Cc1ccc(cc1)C(=O)NCC(OC(=O)c1ccc(C)cc1)\C=C\c1ccccc1
BDBM50272944 COC(=O)c1ccc(cc1)C(=O)NCC(OC(=O)c1ccc(cc1)C(=O)OC)\C=C\c1ccccc1
BDBM50272945 OC(CN(Cc1ccccc1)Cc1ccccc1)\C=C\c1ccccc1
BDBM50272946 Cc1ccc(CN(CC(O)\C=C\c2ccccc2)Cc2ccc(C)cc2)cc1
BDBM50272948 OC(CN(Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)\C=C\c1ccccc1
BDBM50272935 CC(C)(C)OC(=O)NCC(O)\C=C\c1ccccc1
BDBM50272940 COc1cccc(c1)S(=O)(=O)NCC(O)\C=C\c1ccccc1
BDBM50272943 O=C(NCC(OC(=O)c1ccc(cc1)C#N)\C=C\c1ccccc1)c1ccc(cc1)C#N
BDBM50272947 OC(CN(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N)\C=C\c1ccccc1
BDBM50271298 [H][C@]1(O[C@](F)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50278268 COc1cc(O)cc(c1)[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 |r|
BDBM50278269 Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1
BDBM50278270 COc1ccc(O)c(c1)[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 |r|
BDBM50278271 Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1O |r|
BDBM50278272 COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 |r|
BDBM50467744 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r,c:7|
BDBM50467745 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C1CC1)C(O)=O |r,c:7|
BDBM50467746 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](CC(C)C)C(O)=O |r,c:7|
BDBM50467747 CCCC[C@@H](NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1)C(O)=O |r,t:8|
BDBM50464872 OC(=O)C(F)(F)F.[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCN)C(O)=O)NC(N)=N |r|
BDBM50464873 CCC(CC)OC1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464874 [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOCCCc1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
BDBM50467748 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(O)=O)C(C)(C)C |r,c:7|
BDBM50469487 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccc(OC)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469488 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469489 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(OC(CC)CC)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469490 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Oc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469491 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc(SC)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469492 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cc3ccccc3s2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469493 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Cc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469494 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(CC)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469495 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464875 [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCO)C(O)=O)NC(N)=N |r|
BDBM50464876 [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
BDBM50464877 [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
BDBM50294190 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1cccc(F)c1 |r,c:7|
BDBM50294191 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N(C)CCc1cccc(F)c1 |r,c:7|
BDBM50464463 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)C(F)(F)F)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464464 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)CF)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464465 CCC(CC)O[C@@H]1C=C(C[C@H](NC=O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464466 CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50294228 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1cccs1 |r,c:7|
BDBM50294410 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCN1CCOCC1 |r,c:7|
BDBM50294541 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC=C |r,c:7|
BDBM50294837 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
BDBM50295068 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C)C(O)=O |r,c:7|
BDBM50295160 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r,c:7|
BDBM50464467 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)C=C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464468 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)CN)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50464469 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)C(F)F)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50294192 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)Nc1ccc(F)cc1 |r,c:7|
BDBM50294532 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1 |r,c:7|
BDBM50451252 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451253 [Cl-].COc1cc(CN2CCN(CC2)c2ccccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451254 [Cl-].COc1cc(CN2CCOCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451255 [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2Cl)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451256 [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451257 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(Cl)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451258 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451259 [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451260 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(OC(F)(F)F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451261 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451262 [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2[N+]([O-])=O)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451263 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451264 [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2Cl)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451265 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2C)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451266 [Cl-].COc1ccc(N2CCN(Cc3cc(OC)c(O)c4c[n+]5CCc6cc7OCOc7cc6-c5cc34)CC2)c(OC)c1
BDBM50451267 [Cl-].COc1cc(CN2CCN(CC2)c2ncccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451268 [Cl-].COc1cc(CN2CCN(CC2)c2ccc3ccccc3c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451269 [Cl-].COc1cc(CN2CCN(CC2)C(=O)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451270 [Cl-].COc1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451271 [Cl-].COc1cc(CN2CCCCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451272 [Cl-].COc1cc(Cn2c3ccccc3c3ccccc23)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50451273 [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O
BDBM50413051 [H][C@]1(OC(=C[C@H](N\C(N)=N\C(=O)CCCCCCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50413052 [H][C@]1(OC(=C[C@H](N\C(N)=N\C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50413053 CCCCCCCC(=O)\N=C(/N)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:15|
BDBM50413054 CCC(CC)O[C@@H]1C=C(C[C@H](N\C(N)=N\C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50413055 CCC(CC)O[C@@H]1C=C(C[C@H](N\C(N)=N\C(=O)CSc2ccc3ccccc3c2)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7|
BDBM50294186 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1Cl |r,c:7|
BDBM50294187 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cc(F)cc(F)c1 |r,c:7|
BDBM50294188 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F |r,c:7|
BDBM50294189 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1ccccc1F |r,c:7|
BDBM50294193 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)Nc1ccc(cc1)N1CCOCC1=O |r,c:7|
BDBM50294194 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1ccccc1 |r,c:7|
BDBM50294227 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1ccsc1 |r,c:7|
BDBM50294411 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1 |r,c:7|
BDBM50294412 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1 |r,c:7|
BDBM50294413 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(Cl)c1 |r,c:7|
BDBM50294414 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1 |r,c:7|
BDBM50294423 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(Br)cc1 |r,c:7|
BDBM50294424 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(F)(F)F |r,c:7|
BDBM50294425 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(OC)cc1 |r,c:7|
BDBM50294732 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C(C)C)C(O)=O |r,c:7|
BDBM50294857 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r,c:7|
BDBM50295168 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC(O)=O |r,c:7|
BDBM50361245 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(NC(C)=O)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50361246 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-n2cccn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50361999 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Nc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50363282 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCSCC2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50364067 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365356 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-n2cccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365357 CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7|
BDBM50365359 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365360 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365361 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365362 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCCC2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365363 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(C)c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365364 CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7|
BDBM50365365 CCC(CC)O[C@@H]1C=C(C[C@H](NCCCNc2cccc(Cl)c2C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50365366 [H][C@]1(OC(C(O)=O)=C(C\C=C\c2ccc(C)cc2)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CO |r,t:6|
BDBM50365367 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO |r,c:3|
BDBM50469485 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC3CCCCC3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50469486 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3cccs3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50482879 Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 |r|
BDBM50482880 COc1c(C)c(O)c(C)c2occ(-c3ccccc3)c(=O)c12
BDBM50482881 Cc1c(O)c(C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccccc1 |r|
BDBM50482882 COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
BDBM50482883 COc1c(C)c(O)c(C)c2oc(cc(=O)c12)-c1ccccc1
BDBM50484771 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]-1-[#7]-[#6](=O)\[#6]=[#6]\[#6])-[#6](-[#8-])=O |r,c:7|
BDBM50484772 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](=O)\[#6]=[#6]\[#6])-[#6](-[#8-])=O |r,c:7|
BDBM50484773 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O |r,c:7|
BDBM50484774 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](=O)-[#6]=[#6])-[#6](-[#8-])=O |r,c:7|
BDBM50484775 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O |r,c:7|
BDBM50484776 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6]-[#6](-[#6])-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6]=[#6])-[#6](-[#8-])=O |r,c:7|
BDBM50483310 COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1O)C(C)(C)C=C
BDBM50489405 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489406 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489407 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489408 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489409 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)NCc1ccc(OC)cc1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489410 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489411 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50483014 CC1(C)Oc2c(CO)c3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2C=C1 |c:28|
BDBM50483015 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#8])c1-[#8]
BDBM50483016 COc1ccc(\C(C=O)=C/c2ccc(O)cc2OC)c(O)c1
BDBM50483017 CC(=C)C(O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)C2C=CC(C)(C)OC12 |c:6,26,t:22|
BDBM50489412 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489413 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489414 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(=O)N1CCC[C@H](C1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489415 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)NCc1ccccc1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489416 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489417 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489418 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50488835 Cl.Oc1ccc(NC(=O)\C=C\c2ccco2)cc1NC(=O)[C@@H]1CCCN1 |r|
BDBM50488836 Cl.CC(C)C[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50489419 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(=O)N1CCC(CC1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489420 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489421 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@H](C(O)=O)c1ccccc1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489422 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489423 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50489424 [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(=O)N1CCOCC1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50488821 Cl.O[C@H]1CN[C@@H](C1)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488822 Cl.CC(C)[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O |r|
BDBM50488823 Cl.CC(C)[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488824 Cl.NCCCC(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O
BDBM50488825 Cl.CC(C)C[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O |r|
BDBM50488826 Cl.CSCC[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488837 Cl.C[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488838 Cl.N[C@@H](Cc1ccccc1)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488839 Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488840 Cl.NCCCC[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50482092 OC1=CC\C(C=C1)=C1/Oc2cc(O)cc(O)c2C1=O |c:5,t:1|
BDBM50482093 Oc1cc(cc(O)c1O)C1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1
BDBM50482094 [H][C@@]1(O[C@@]2([H])[C@H](O)[C@@H](O)[C@H](CO)O[C@]2([H])Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)OC[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50482095 Oc1cc(OC(=O)Oc2c(O)cc(cc2O)C2CCc3c(O)cc(OC(=O)c4cc(O)c(O)c(O)c4)cc3O2)cc(O)c1O
BDBM50482096 [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(Oc1cc2oc(cc(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1)-c1ccc(OC)cc1)C(O)=O)[C@@H](O)[C@@H](O)CO |r|
BDBM50482097 COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
BDBM50488827 Cl.NCCC(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O
BDBM50488828 Cl.C[C@@H](O)[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488829 Cl.N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488830 Cl.C[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O |r|
BDBM50488831 Cl.N[C@@H](CO)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488832 Cl.CC[C@H](C)[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O |r|
BDBM50488833 Cl.NCC(=O)Nc1cc(NC(=O)\C=C\c2ccco2)ccc1O
BDBM50488834 Cl.CC[C@H](C)[C@H](N)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O |r|
BDBM50482871 COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
BDBM50482872 COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
BDBM50482873 COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
BDBM50482874 COc1c(C)c2O[C@@H](CC(=O)c2c(O)c1C=O)c1ccccc1 |r|
BDBM50482875 COc1c(C)c(O)c(C)c2O[C@@](O)(CC(=O)c12)c1ccccc1 |r|
BDBM50482876 COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C=O)c1ccccc1 |r|
BDBM50482877 COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
BDBM50482878 COc1cc(O)c(C)c2O[C@@H](CC(=O)c12)c1ccccc1 |r|
BDBM50485193 [H][C@]1(OC(=C[C@H](NC(=S)Nc2ccccc2OC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485194 [H][C@]1(OC(=C[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50478608 CCOc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478611 CCN(CC)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(O)=O |r|
BDBM50478612 CC(C)N(CCc1ccccn1)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
BDBM50478613 CC(C)N(CCCCCO)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
BDBM50478614 CC(=O)NC[C@H]1C[C@H](C[C@@H]1NC(N)=N)C(O)=O |r|
BDBM50478615 [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1O)P(O)(O)=O)[C@@H](O)[C@@H](O)CO |r|
BDBM50478760 CCCCOc1cc(NC(C)=O)c(cc1C(=O)OC)[N+]([O-])=O
BDBM50478761 CCCCOc1cc(NC(C)=O)ccc1C(=O)OC
BDBM50478762 CCC(C)Oc1cc(NC(C)=O)c(N)cc1C(=O)OC
BDBM50478763 CCC(C)Oc1cc(NC(C)=O)c(cc1C(=O)OC)[N+]([O-])=O
BDBM50478764 CCC(C)Oc1cc(NC(C)=O)ccc1C(=O)OC
BDBM50478765 CCCOc1cc(NC(C)=O)c(cc1C(=O)OC)[N+]([O-])=O
BDBM50478766 COC(=O)c1cc(NC(N)=N)c(NC(C)=O)cc1OC(C)C
BDBM50478767 COC(=O)c1cc(N)c(NC(C)=O)cc1OC(C)C
BDBM50478768 COC(=O)c1cc(c(NC(C)=O)cc1OC(C)C)[N+]([O-])=O
BDBM50485195 [H][C@]1(OC(=C[C@H](NC(=O)NCc2ccco2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485196 [H][C@]1(OC(=C[C@H](NC(=S)NCCCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485197 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](C)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485198 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](CCSC)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485199 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485200 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](CC(N)=O)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485201 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](CCC(N)=O)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50478616 CCC(C)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM50478617 CC[C@@H](Cc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM50478618 NC(=N)Nc1cc(\C=N\O)cc(c1)C(O)=O
BDBM50478619 [#7]\[#6](-[#7])=[#7]/c1cc(cc(c1)-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7]
BDBM50478620 CS(=O)(=O)Nc1ccc(cc1NC(N)=N)C(O)=O
BDBM50478621 CC(=O)Nc1ccc(cc1\C=N\O)C(O)=O
BDBM50478622 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3|
BDBM50478623 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3|
BDBM50478624 CCC(C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM50478625 CS(=O)(=O)Cc1ccc(cc1NC(N)=N)C(O)=O
BDBM50478769 CCOc1c(NC(N)=N)c(NC(C)=O)c(NC(N)=N)cc1C(O)=O
BDBM50478770 CCOc1c(N)c(NC(C)=O)c(N)cc1C(=O)OC
BDBM50478771 CCCCCCCCCCCCCCCCOc1cc(NC(C)=O)c(N)cc1C(=O)OC
BDBM50478772 CCCCCCCCCCCCCCCCOc1cc(NC(C)=O)ccc1C(=O)OC
BDBM50478773 COC(=O)c1cc(c(NC(C)=O)cc1OCCC(C)C)[N+]([O-])=O
BDBM50478774 COC(=O)c1ccc(NC(C)=O)cc1OCCC(C)C
BDBM50478782 COC(=O)c1ccc(NC(C)=O)cc1OC(C)C
BDBM50478783 CCOc1c(cc(c(NC(C)=O)c1[N+]([O-])=O)[N+]([O-])=O)C(=O)OC
BDBM50478784 CCCCCCCCCCCCCCCCOc1cc(NC(C)=O)c(cc1C(=O)OC)[N+]([O-])=O
BDBM50485202 [H][C@]1(OC(=C[C@H](NC(=O)NCC(=O)NCC(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485203 [H][C@]1(OC(=C[C@@H]([C@H]1NC(C)=O)N1CCOCC1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485204 [H][C@]1(OC(=C[C@@H]([C@H]1NC(C)=O)N1CCN(CC1)c1ccccc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485205 [H][C@]1(OC(=C[C@H](NC(=O)Nc2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485206 [H][C@]1(OC(=C[C@H](NC(=S)Nc2ccccc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485207 [H][C@]1(OC(=C[C@H](NC(=S)Nc2ccc(cc2)C(F)(F)F)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485208 [H][C@]1(OC(=C[C@H](NC(=S)Nc2ccccc2F)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50478626 CC(=O)Nc1ccc(cc1NC(N)=N)C(O)=O
BDBM50478627 CCCN(C)C(=O)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM50478628 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
BDBM50478629 CC(C)N(CCCCC(O)=O)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
BDBM50478630 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3|
BDBM50478631 CC(C)N(CCCO)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
BDBM50478632 [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)P(O)(O)=O)[C@@H](O)[C@@H](O)CO |r|
BDBM50478633 CS(=O)(=O)c1ccc(cc1NC(N)=N)C(O)=O
BDBM50478634 CC[C@H](O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C=C |r,c:5|
BDBM50478635 CNC(=O)c1ccc(cc1NC(N)=N)C(O)=O
BDBM50478785 COC(=O)c1cc(N)c(NC(C)=O)cc1OCCC(C)C
BDBM50478786 CCOc1c(NC(N)=N)c(NC(C)=O)c(NC(N)=N)cc1C(=O)OC
BDBM50478787 CC(C)CCOc1cc(NC(C)=O)c(NC(N)=N)cc1C(O)=O
BDBM50478788 COC(=O)c1cc(c(NC(C)=O)cc1OC1CCCC1)[N+]([O-])=O
BDBM50478789 CCCOc1cc(NC(C)=O)ccc1C(=O)OC
BDBM50478790 COC(=O)c1ccc(NC(C)=O)cc1O
BDBM50485209 [H][C@]1(OC(=C[C@H](NC(=S)Nc2ccccc2Br)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485210 [H][C@]1(OC(=C[C@H](NC(=S)NCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485211 [H][C@]1(OC(=C[C@H](NC(=O)N2CCC[C@H]2C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485212 [H][C@]1(OC(=C[C@H](NC(=O)Nc2ccc(C)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485213 [H][C@]1(OC(=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485214 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](C)C(=O)NCC(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485215 [H][C@]1(OC(=C[C@@H]([C@H]1NC(C)=O)N1CCCC(C1)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50478636 CC(=O)Nc1c(O)cc(cc1[N+]([O-])=O)C(O)=O
BDBM50478637 [H][C@]1(OP(O)(=O)C[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@@H](O)CO |r|
BDBM50478638 [H][C@@]1(OC(O)(C[C@@H]1O)C(O)=O)[C@H](NC(C)=O)[C@H](O)[C@H](O)CO |r|
BDBM50485216 [H][C@]1(OC(=C[C@@H]([C@H]1NC(C)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485217 [H][C@]1(OC(=C[C@H](NC(=S)Nc2cccc(OC)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485218 [H][C@]1(OC(=C[C@H](NC(=O)NCC(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485219 [H][C@]1(OC(=C[C@H](NC(=S)Nc2cccc(c2)C(F)(F)F)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485220 [H][C@]1(OC(=C[C@H](NC(=S)Nc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485221 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485222 [H][C@]1(OC(=C[C@H](NC(=O)N[C@H](CC(N)=O)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50478569 COC(=O)NC(=S)NC(=O)NC(C)(C)C
BDBM50478570 CC(C)(C)NC(=O)NC(=S)NC(=O)c1ccccc1
BDBM50478590 Cc1cc(C)nc(NC(=S)NC(=O)c2cccnc2Cl)n1
BDBM50485223 [H][C@]1(OC(=C[C@H](NC(=S)NC2CC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485224 [H][C@]1(OC(=C[C@@H]([C@H]1NC(C)=O)N1CCC2(CC1)OCCO2)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485225 [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H]([C@@H](C)O)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485226 [H][C@]1(OC(=C[C@H](NC(=O)NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50485227 [H][C@]1(OC(=C[C@H](NC(=S)NCCCl)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50478591 CCOc1cc(OCC)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1
BDBM50478592 COc1cc(C)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1
BDBM50478593 Cc1cc(O)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1
BDBM50478594 COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478595 COc1cc(C)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
BDBM50478596 [#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-[#6](=S)-[#7]-[#6](=O)-[#6@H]1-[#6@H](\[#6]=[#6](/Cl)Cl)C1([#6])[#6] |r|
BDBM50484184 OC(=O)C(F)(F)F.CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:11|
BDBM50484185 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)OCCCOC(=O)c1ccc2ccccc2c1O |r,c:7|
BDBM50484186 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)OCCCOC(=O)c1ccc2ccccc2c1O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50484187 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)OCC)[C@H](O)[C@H](O)CO |r,c:9|
BDBM50483194 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)COC(=O)CCCCCCC |r,c:3|
BDBM50485132 COc1ccc(O)c2c1oc1ccc(O)cc1c2=O
BDBM50485133 COc1cccc2oc3ccc(O)cc3c(=O)c12
BDBM50485134 Oc1cc2oc3c(O)cccc3c(=O)c2c(O)c1O
BDBM50485135 COc1cc(O)c2oc3ccccc3c(=O)c2c1OC
BDBM50485136 COc1c(O)cc2c(oc3ccccc3c2=O)c1OC
BDBM50485137 COc1c2OCOc2cc2c1oc1ccccc1c2=O
BDBM50479042 Oc1ccc2C(=O)\C(Oc2c1)=C/c1ccccc1
BDBM50479043 COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
BDBM50479044 OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3ccc(O)cc3O2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50479045 OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
BDBM50479046 Oc1ccc(\C=C2\Oc3cc(O)ccc3C2=O)cc1
BDBM50479047 Oc1ccc(\C=C2\Oc3cc(O)cc(O)c3C2=O)cc1
BDBM50478775 COC(=O)c1ccc(NC(C)=O)cc1OC1CCCC1
BDBM50478776 CCCOc1cc(NC(C)=O)c(N)cc1C(=O)OC
BDBM50478777 COC(=O)c1cc(N)c(NC(C)=O)cc1OC1CCCC1
BDBM50478778 CCCCOc1cc(NC(C)=O)c(N)cc1C(=O)OC
BDBM50485138 COc1c(O)cc2oc3cc(O)ccc3c(=O)c2c1OC
BDBM50478779 CCC(C)Oc1cc(NC(C)=O)c(NC(N)=N)cc1C(=O)OC
BDBM50478780 CCCOc1cc(NC(C)=O)c(NC(N)=N)cc1C(O)=O
BDBM50478781 CC(C)Oc1cc(NC(C)=O)c(NC(N)=N)cc1C(O)=O
BDBM50483309 [#6]-[#8]-c1c(-[#8])c(-[#8])ccc1\[#6]=[#6]\[#6](=O)-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
BDBM50486062 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)\C=C\c1ccc2OCOc2c1)[C@H](O)CO |r,c:3|
BDBM50486063 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)CO |r,c:3|
BDBM50486064 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)c1ccc2ccccc2c1O)[C@H](O)CO |r,c:3|
BDBM50486065 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)OCCCOC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50486066 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)c1cc(N)ccc1O)[C@H](O)CO |r,c:3|
BDBM50486067 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)OCCCOC(=O)\C=C\c1ccc2OCOc2c1)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50483708 OC(=O)[C@@H]1CSC(N1)c1ccccc1C(O)=O |r|
BDBM50483709 OC(=O)[C@@H]1CSC(N1)c1ccccc1[N+]([O-])=O |r|
BDBM50483710 OC(=O)[C@@H]1CSC(N1)c1ccco1 |r|
BDBM50483711 OC(=O)[C@@H]1CSC(N1C(=O)CCl)c1ccccc1O |r|
BDBM50483712 OC(=O)[C@@H]1CSC(N1C(=O)CCl)c1ccc(cc1)C#N |r|
BDBM50483713 OC(=O)[C@@H]1CSC(N1C(=O)CCl)c1ccccc1[N+]([O-])=O |r|
BDBM50483714 COc1cccc(C2SC[C@H](N2C(=O)CCl)C(O)=O)c1O |r|
BDBM50483715 OC(=O)[C@@H]1CSC(N1C(=O)Cc1ccccc1)c1ccccc1 |r|
BDBM50486068 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)CO |r,c:3|
BDBM50486069 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCO)[C@H](O)CO |r,c:3|
BDBM50486070 OC(=O)\C=C\c1ccc2OCOc2c1
BDBM50486071 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)OCCCOC(=O)c1cc(N)ccc1O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50486072 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCNC(=O)c1ccc2ccccc2c1O)[C@H](O)CO |r,c:3|
BDBM50486073 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)c1ccc(O)c(O)c1)[C@H](O)CO |r,c:3|
BDBM50478571 CC(C)(C)NC(=O)NC(=S)NC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
BDBM50478572 CC(C)(C)NC(=O)NC(=S)NC(=O)c1ccc(o1)-c1ccccc1Cl
BDBM50478573 CCOc1cc(OCC)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
BDBM50478574 Cc1cc(O)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
BDBM50478575 CCOc1cc(C)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
BDBM50483716 OC(=O)[C@@H]1CSC(N1C(=O)Cc1ccccc1)c1ccccc1O |r|
BDBM50483717 COc1cccc(C2SC[C@H](N2C(=O)Cc2ccccc2)C(O)=O)c1O |r|
BDBM50483718 OC(=O)[C@@H]1CSC(N1C(=O)Cc1ccccc1)c1ccco1 |r|
BDBM50483719 NCC(=O)N1[C@@H](CSC1c1ccccc1O)C(O)=O |r|
BDBM50483720 NCC(=O)N1[C@@H](CSC1c1ccccc1C(O)=O)C(O)=O |r|
BDBM50483721 NCC(=O)N1[C@@H](CSC1c1ccccc1[N+]([O-])=O)C(O)=O |r|
BDBM50483722 NCC(=O)N1[C@@H](CSC1c1ccco1)C(O)=O |r|
BDBM50483723 OC(=O)[C@@H]1CSC(N1C(=O)Cc1ccccc1)c1ccccc1C(O)=O |r|
BDBM50483724 COc1cccc(C2SC[C@H](N2C(=O)CN)C(O)=O)c1O |r|
BDBM50478576 [O-][N+](=O)c1ccc(cc1)-c1ccc(o1)C(=O)NC(=S)Nc1nc(Cl)cc(Cl)n1
BDBM50478577 COc1cc(C)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478578 COc1cc(OC)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478579 Cc1cc(O)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478580 CCOc1cc(C)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478581 COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(Cl)cc2F)n1
BDBM50478582 Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(Cl)cc2F)n1
BDBM50478583 Cc1cc(C)nc(NC(=S)NC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)n1
BDBM50483725 OC(=O)[C@@H]1CSC(N1)c1ccccc1O |r|
BDBM50483726 COc1cccc(C2N[C@@H](CS2)C(O)=O)c1O |r|
BDBM50483727 OC(=O)[C@@H]1CSC(N1C(=O)CCl)c1ccccc1C(O)=O |r|
BDBM50483728 OC(=O)[C@@H]1CSC(N1C(=O)CCl)c1ccco1 |r|
BDBM50483729 OC(=O)[C@@H]1CSC(N1C(=O)Cc1ccccc1)c1ccc(cc1)C#N |r|
BDBM50483730 NCC(=O)N1[C@@H](CSC1c1ccccc1)C(O)=O |r|
BDBM50483731 NCC(=O)N1[C@@H](CSC1c1ccc(cc1)C#N)C(O)=O |r|
BDBM50483732 OC(=O)[C@@H]1CSC(N1)c1ccc(cc1)C#N |r|
BDBM50483733 OC(=O)[C@@H]1CSC(N1C(=O)Cc1ccccc1)c1ccccc1[N+]([O-])=O |r|
BDBM50483734 OC(=O)[C@@H]1CSC(N1C(=O)CCl)c1ccccc1 |r|
BDBM50478584 CC(C)C(C(=O)NC(=S)Nc1nc(Cl)cc(Cl)n1)c1ccc(Cl)cc1
BDBM50478585 CCOc1cc(OCC)nc(NC(=S)NC(=O)C(C(C)C)c2ccc(Cl)cc2)n1
BDBM50478586 Cc1cc(C)nc(NC(=S)NC(=O)c2ccccc2)n1
BDBM50478587 COc1cc(OC)nc(NC(=S)NC(=O)c2cnc(Cl)c(Cl)c2)n1
BDBM50478588 COc1cc(OC)nc(NC(=S)NC(=O)c2cccnc2)n1
BDBM50478589 COc1cc(Cl)nc(NC(=S)NC(=O)c2cccnc2Cl)n1
BDBM50478597 CC(C)(C)NC(=O)NC(=S)NC(=O)[C@@H]1[C@H](\C=C(/Cl)C(F)(F)F)C1(C)C |r|
BDBM50478598 CC(C)[C@H](C(=O)NC(=S)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 |r|
BDBM50478599 CC(C)(C)NC(=O)NC(=S)NC(=O)c1c(F)cccc1F
BDBM50478600 CCOc1cc(OCC)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478601 CC(C)(C)NC(=O)NC(=S)NC(=O)COc1ccc(Cl)cc1Cl
BDBM50478602 Clc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(o2)-c2ccccc2Cl)n1
BDBM50478603 COc1cc(OC)nc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)n1
BDBM50478604 COc1cc(OC)nc(NC(=S)NC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)n1
BDBM50478605 CCOc1cc(Cl)nc(NC(=S)NC(=O)c2cccnc2Cl)n1
BDBM50478606 COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1
BDBM50478607 CCOc1cc(OCC)nc(NC(=S)NC(=O)c2cccnc2Cl)n1
BDBM50478759 CCCCOc1cc(NC(C)=O)c(NC(N)=N)cc1C(O)=O
BDBM50494846 CCC(CC)C(=O)Nc1cc(NC(C)=O)c(NC(=O)CCc2ccc(O)c(O)c2)cc1OCC(O)=O
BDBM50494847 CCC(CC)CN(C(=O)\C=C\c1ccc(O)c(O)c1)c1ccc(OCC(O)=O)c(NC(=O)C(CC)CC)c1
BDBM50494848 CCC(CC)C(=O)Nc1cc(ccc1OCC(O)=O)N(Cc1cccs1)C(=O)\C=C\c1ccc(O)c(O)c1
BDBM50494849 CCC(CC)C(=O)Nc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1OCC(O)=O
BDBM50494850 CCC(CC)C(=O)Nc1cc(NC(=O)c2ccco2)ccc1OCC(O)=O
BDBM50494851 CCC(CC)C(=O)Nc1cc(ccc1OCC(O)=O)N(Cc1ccccc1)C(=O)\C=C\c1ccc(O)c(O)c1
BDBM50494852 CCC(CC)C(=O)Nc1cc(NC(=O)NCc2ccccc2)ccc1OCC(O)=O
BDBM50495281 [H][C@]1(OC(C[C@H](N)[C@H]1NC(C)=O)(SCCOCCOCCOCCSC1(C[C@H](N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495282 [H][C@]1(OC(C[C@H](N)[C@H]1NC(C)=O)(SCCCCCCSC1(C[C@H](N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495283 [H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCOCCOCCOCCOCCSC1(C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50496023 CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50494853 CCC(CC)C(=O)Nc1cc(NC(C)=O)c(NC(N)=N)cc1OCC(O)=O
BDBM50494854 CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(NC(=O)CCc2ccc(O)c(O)c2)cc1OCC(O)=O
BDBM50494855 CCC(CC)C(=O)Nc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O |r|
BDBM50494856 CCC(CC)C(=O)Nc1cc(NC(=O)[C@H](CC(C)C)NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O |r|
BDBM50494857 CCC(CC)C(=O)Nc1cc(NC(=O)[C@H](C)NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O |r|
BDBM50494858 CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1OCC(O)=O
BDBM50494859 CCC(CC)C(=O)Nc1cc(NC(=O)NCC#C)ccc1OCC(O)=O
BDBM50490733 OC1=C(C(=O)O\C1=C\c1ccc(O)cc1)c1ccc(O)cc1 |t:1|
BDBM50494860 CCC(CC)C(=O)Nc1cc(NC(C)=O)c(N)cc1OCC(O)=O
BDBM50494861 CCC(CC)C(=O)Nc1ccc(OCC(O)=O)c(NC(=O)C(CC)CC)c1
BDBM50494862 CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(NC(N)=N)cc1OCC(O)=O
BDBM50494863 CCC(CC)C(=O)Nc1cc(N)ccc1OCC(O)=O
BDBM50495272 [H][C@]1(OC(C[C@H](N)[C@H]1NC(C)=O)(SCCOCCOCCOCCOCCOCCSC1(C[C@H](N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495273 [H][C@]1(OC(C[C@H](N)[C@H]1NC(C)=O)(SCCCCCCCCCCCCSC1(C[C@H](N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495274 [H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCCCCCCCCCCCSC1(C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495275 [H][C@]1(OC(C[C@H](N)[C@H]1NC(C)=O)(SCCOCCOCCOCCOCCSC1(C[C@H](N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495276 [H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCOCCOCCOCCOCCOCCSC1(C[C@H](NC(N)=O)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495277 [H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCOCCOCCOCCSC1(C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495278 [H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCCCCCS)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495279 [H][C@]1(OC(C[C@H](N)[C@H]1NC(C)=O)(SCCCCCCS)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50495280 [H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCCCCCSC1(C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
BDBM50492008 CCC(CC)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O
BDBM50492009 CC(C)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O
BDBM50492010 CC(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O
BDBM50492011 CC(C)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O
BDBM50492012 CCC(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O
BDBM50492013 CCC(CC)C(=O)N[C@@H](CCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50492014 CC(C)C(=O)N[C@@H](CCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50492015 CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50492016 OC(=O)CCNC(=O)\C=C\c1ccc(O)c(O)c1
BDBM50492017 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|
BDBM50492018 CCC(CC)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O
BDBM50492019 CC(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O
BDBM50492020 OC(=O)[C@H](CCCNC(=O)\C=C\c1ccc(O)c(O)c1)NC(=O)Cc1ccccc1 |r|
BDBM50492021 CCC(=O)N[C@@H](CCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50492022 CC(C)[C@H](NC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50492023 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)cc1
BDBM50492024 COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)cc1
BDBM50492025 OC(=O)[C@H](CCCNC(=O)\C=C\c1ccc(O)c(O)c1)NC(=O)c1ccccc1 |r|
BDBM50492026 Oc1ccc(\C=C\C(=O)Nc2ccc(O)c(NC(=O)C3CC3)c2)cc1O
BDBM50492027 OC(=O)CCCNC(=O)\C=C\c1ccc(O)c(O)c1
BDBM50492028 OC(=O)COc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1NC(=O)C1CC1
BDBM50496207 [H][C@@]1(O[C@H]2OC[C@@](O)(COC(=O)c3c[nH]c4ccccc34)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r|
BDBM50496208 CC1(C)Oc2ccc([C@@H]3COc4c(C3)ccc3OC(C)(C)C=Cc43)c(O)c2C=C1 |r,c:22,31|
BDBM50496209 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2cc(-[#8])c3-[#8]C([#6])([#6])[#6]=[#6]-c3c2)c1-[#8] |c:24|
BDBM50496210 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1cc(=O)c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2o1
BDBM50496211 CC1(C)Oc2ccc3CC(O)COc3c2C=C1 |c:17|
BDBM50496212 [H][C@]1(O[C@H]2OC[C@@](O)(COC(=O)\C=C\c3ccc(O)cc3)[C@@H]2O)[C@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50496926 OC(=O)C(F)(F)F.CCC(CC)O[C@@H]1C=C(C[C@H](N\C(N)=N\O)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM50496927 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CSc2ccc3ccccc3c2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:26|
BDBM50496928 OC(=O)C(F)(F)F.CCC(CC)O[C@@H]1C=C(C[C@H](N\C(N)=N\C)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM50494840 CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(N)cc1OCC(O)=O
BDBM50494841 CCC(CC)C(=O)Nc1cc(NC(=O)[C@@H](NC(=O)\C=C\c2ccc(O)c(O)c2)C(C)C)ccc1OCC(O)=O |r|
BDBM50494842 CC[C@H](CO)NC(=O)Nc1ccc(OCC(O)=O)c(NC(=O)C(CC)CC)c1 |r|
BDBM50494843 CCC(CC)C(=O)Nc1cc(NC(C)=O)c(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1OCC(O)=O
BDBM50494844 CCC(CC)C(=O)Nc1cc(NC(=O)CNC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O
BDBM50494845 CCC(CC)C(=O)Nc1cc(NC(N)=N)ccc1OCC(O)=O
BDBM50476540 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
BDBM50476541 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(O)=O
BDBM50476542 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO
BDBM50476543 O[C@@H]1C[C@H](N(C1)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(O)=O
BDBM50476544 C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(=O)NO
BDBM50476545 C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(O)=O
BDBM50476546 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(O)=O
BDBM50476547 COC(=O)[C@@H]1C[C@@H](N)CN1C(=O)[C@@H](N)CC(C)C
BDBM50476548 COC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@H](C)NC(=O)OC(C)(C)C
BDBM50476549 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)NO
BDBM50476550 ONC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
BDBM50476551 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(=O)NO
BDBM50476552 N[C@H]1C[C@H](N(C1)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(=O)NO
BDBM50476553 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO
BDBM50476554 COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)OC(C)(C)C
BDBM50476555 CC(=O)N1C[C@H](O)C[C@@H]1C(O)=O
BDBM50476556 CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(=O)NO
BDBM50476557 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
BDBM50476558 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
BDBM50476559 CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N)C[C@H]1C(O)=O
BDBM50476560 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO
BDBM50476561 N[C@H]1C[C@H](N(C1)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(O)=O
BDBM50476562 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](N)C[C@H]1C(O)=O
BDBM50476563 CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO
BDBM50476596 OC(=O)CNC(=O)\C=C\c1ccc(O)c(O)c1
BDBM50498275 COc1c(O)cc(cc1O)C1CC(=O)c2c(O)c(C)c(O)c(C)c2O1
BDBM50497216 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(C)cc1 |t:7|
BDBM50497217 CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1 |t:7|
BDBM50497218 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(OC)c(OC)c1 |t:7|
BDBM50497219 CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1F |t:7|
BDBM50497220 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(C)cc1 |t:7|
BDBM50497221 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Br)cc1 |t:7|
BDBM50497222 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Cl)cc1 |t:7|
BDBM50497223 CCOC(=O)C1C(N=C(NC(=O)C(F)(F)F)NC1=O)c1ccc(Br)cc1 |t:7|
BDBM50497224 CCOC(=O)C1C(N=C(N)NC1=O)C(C)C |t:7|
BDBM50497225 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(cc1)[N+]([O-])=O |t:7|
BDBM50497226 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(F)cc1 |t:7|
BDBM50497227 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(OC)cc1 |t:7|
BDBM50497228 CCOC(=O)C1C(N=C(N)NC1=O)c1ccco1 |t:7|
BDBM50497229 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(cc1)N(C)C |t:7|
BDBM50497230 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1 |t:7|
BDBM50497231 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Cl)cc1Cl |t:7|
BDBM50497232 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1[N+]([O-])=O |t:7|
BDBM50497233 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(OC)c(OC)c1 |t:7|
BDBM50497234 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Cl)cc1 |t:7|
BDBM50497235 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccco1 |t:7|
BDBM50497236 CCOC(=O)C1C(N=C(NC(=O)CC)NC1=O)c1ccc(Br)cc1 |t:7|
BDBM50497237 CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1[N+]([O-])=O |t:7|
BDBM50497238 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Br)cc1 |t:7|
BDBM50497239 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)C(C)C |t:7|
BDBM50497240 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1Cl |t:7|
BDBM50497241 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(F)cc1 |t:7|
BDBM50497242 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1F |t:7|
BDBM50497243 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Cl)cc1Cl |t:7|
BDBM50497244 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(OC)cc1 |t:7|
BDBM50497245 CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Br)cc1F |t:7|
BDBM50497246 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(cc1)N(C)C |t:7|
BDBM50497247 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(cc1)[N+]([O-])=O |t:7|
BDBM50497248 CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1Cl |t:7|
BDBM50497249 CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Br)cc1F |t:7|
BDBM50500018 CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)-n1cc(nn1)C1=CCCCC1 |t:26|
BDBM50498535 CC1=CC(=O)[C@@H]([C@H](O1)c1ccc(O)c(O)c1)c1c(O)cc(\C=C\c2ccc(O)c(O)c2)oc1=O |t:1|
BDBM50497274 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497275 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497276 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497277 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#8])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497278 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](\[#6])=[#6]\[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497279 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497280 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50498536 Oc1ccc(\C=C\c2cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o2)cc1O
BDBM50498537 CC1=CC(=O)C2(O1)C(Oc1cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c21)c1ccc(O)c(O)c1 |t:1|
BDBM50498538 Oc1cc(\C=C\c2ccc(O)c(O)c2)oc(=O)c1
BDBM50497281 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-1)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497282 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#8])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497283 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497284 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497285 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497286 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50497287 [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM50498274 COc1c(O)cc(cc1O)[C@@H]1CC(=O)c2c(O)c(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2O1 |r|
BDBM50521983 CCCC(=O)c1c(O)c(Cc2c(O)c(C=O)c(O)c(C(=O)CCC)c2O)c(O)c(C=O)c1O
BDBM50526904 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1 |r,c:7|
BDBM50510686 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(C)(CO)CO)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50510692 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(C[C@H](N)C(O)=O)nn1)C(O)=O |r,c:7|
BDBM50510693 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)-c1ccsc1)C(O)=O |r,c:7|
BDBM50510696 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2ccccc2)nn1)C(O)=O |r,c:7|
BDBM50510698 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2ccc(NC(C)=O)cc2)nn1)C(O)=O |r,c:7|
BDBM50510699 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(=O)N(C)C)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50510701 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2cc(F)ccc2OC)nn1)C(O)=O |r,c:7|
BDBM50510702 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(COCC(C)(CO)CO)nn1)C(O)=O |r,c:7|
BDBM50510703 CCC(CC)O[C@H]1CC(=C[C@H]([C@@H]1NC(C)=O)n1cc(CN2CCS(=O)(=O)CC2)nn1)C(O)=O |r,c:8|
BDBM50512408 Oc1ccc(\C=N\NC(=O)C(=O)NCCCN2CCOCC2)cc1[N+]([O-])=O
BDBM50512410 COc1ccc(\C=N\NC(=O)C(=O)NCCCN2CCOCC2)cc1OC
BDBM50512413 COc1cc(\C=N\NC(=O)C(=O)NCCCN2CCOCC2)ccc1O
BDBM50510704 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CN(C)c2ccc(OC)cc2)nn1)C(O)=O |r,c:7|
BDBM50512409 Oc1ccccc1\C=N\NC(=O)C(=O)NCCCN1CCOCC1
BDBM50512411 COc1cc(\C=N\NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1OC
BDBM50512412 COc1cc(\C=N\NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1O
BDBM50516182 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(=O)NCc1ccc(Cl)cc1 |r,c:7|
BDBM50516183 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(=O)NCc1ccc(Cl)cc1 |r,c:7|
BDBM50516185 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC)cc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(Cl)cc1 |r,c:7|
BDBM50510691 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CCO)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50510694 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2ccccc2C(N)=O)nn1)C(O)=O |r,c:7|
BDBM50510695 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2cccc(c2)C(F)(F)F)nn1)C(O)=O |r,c:7|
BDBM50510697 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CO)nn1)C(O)=O |r,c:7|
BDBM50510705 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(C[C@]2(CCCN2)C(O)=O)nn1)C(O)=O |r,c:7|
BDBM50510700 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)-c1cccs1)C(O)=O |r,c:7|
BDBM50516174 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50516177 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1 |r,c:7|
BDBM50516187 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC)cc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O |r,c:7|
BDBM50516192 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O |r,c:7|
BDBM50512407 COc1ccccc1\C=N\NC(=O)C(=O)NCCCN1CCOCC1
BDBM50510689 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(O)=O)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50510690 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(=O)NC)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50529794 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
BDBM50529795 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)B(O)O |r,c:7|
BDBM50529796 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)[B-](F)(F)F |r,c:7|
BDBM50529797 CCCCOS(=O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8|
BDBM50529798 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(=O)(=O)OCCCc1ccccc1 |r,c:7|
BDBM50529799 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(=O)(=O)OCCCc1ccccc1 |r,c:7|
BDBM50529800 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
BDBM50529801 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(C)(=O)=O |r,c:7|
BDBM50529802 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(=O)(=O)CCc1ccncc1 |r,c:7|
BDBM50529803 [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)[B-](F)(F)F |r,c:7|
BDBM50529804 CCCCOS(=O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
BDBM50529805 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7|
BDBM50529806 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7|
BDBM50510687 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)n1cc(CNc2ccc(C(N)=O)c(c2)C(F)(F)F)nn1)C(O)=O |r,c:7|
BDBM50504736 CCC(CC)O[C@@H]1C=C(C[C@H](Nc2ncccc2N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50510688 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CCN3CCS(=O)(=O)CC3)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50526896 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(C)cc2)nn1 |r,c:7|
BDBM50526897 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
BDBM50526898 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
BDBM50526899 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(F)c2)nn1 |r,c:7|
BDBM50526900 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)c(F)c2)nn1 |r,c:7|
BDBM50526901 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CSc2ccccc2)nn1 |r,c:7|
BDBM50526902 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
BDBM50526903 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(c2)[N+]([O-])=O)nn1 |r,c:7|
BDBM50526905 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCCC2)nn1 |r,c:7|
BDBM50526906 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
BDBM50526907 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
BDBM50526908 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2)nn1 |r,c:7|
BDBM50526909 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Cl)c2)nn1 |r,c:7|
BDBM50526910 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Br)nn1 |r,c:7|
BDBM50526911 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
BDBM50526912 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2)nn1 |r,c:7|
BDBM50526913 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)C#N)nn1 |r,c:7|
BDBM50526914 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc3ccccc3c2)nn1 |r,c:7|
BDBM50526915 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)C1CCCCC1 |r,c:7|
BDBM50526916 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCOCC2)nn1 |r,c:7|
BDBM50526917 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
BDBM50526918 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
BDBM50526921 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Br)c2)nn1 |r,c:7|
BDBM50526922 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CCc2ccccc2)nn1 |r,c:7|
BDBM50526923 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1 |r,c:7|
BDBM50526924 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
BDBM50526925 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CCc2ccc(Br)cc2)nn1 |r,c:7|
BDBM50526926 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Cl)nn1 |r,c:7|
BDBM50526895 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 |r,c:7|
BDBM50521984 CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O |c:13,t:20|
BDBM50521985 CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O)c1O |c:10,34,t:17,41|
BDBM50526919 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2[N+]([O-])=O)nn1 |r,c:7|
BDBM50526920 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2F)nn1 |r,c:7|
BDBM50515880 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(o2)-c2c(C)noc2C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50515881 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2noc(n2)-c2ccco2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50529807 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(C)(=O)=O |r,c:7|
BDBM50529808 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)B(O)O |r,c:7|
BDBM50529809 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(=O)(=O)CCc1ccncc1 |r,c:7|
BDBM50516172 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
BDBM50516173 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(Cl)cc1 |r,c:7|
BDBM50516175 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O |r,c:7|
BDBM50516176 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1 |r,c:7|
BDBM50516178 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1 |r,c:7|
BDBM50516179 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC)cc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1 |r,c:7|
BDBM50516180 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
BDBM50516181 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
BDBM50516184 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(Cl)cc1 |r,c:7|
BDBM50516186 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O |r,c:7|
BDBM50516188 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1 |r,c:7|
BDBM50516189 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC)cc2)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
BDBM50516190 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O |r,c:7|
BDBM50516191 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
BDBM50540959 Clc1cccc(c1)-c1cc(=O)c2ccccc2o1
BDBM50540960 [O-][N+](=O)c1cccc(c1)-c1cc(=O)c2ccccc2o1
BDBM50540961 [O-][N+](=O)c1ccc(\C=C2/Oc3ccccc3C2=O)cc1
BDBM474374 CN(C)Cc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
BDBM474375 Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
BDBM474376 CN(C)C(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
BDBM474377 CNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
BDBM474378 COCCNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
BDBM474379 Oc1c2-c3nccn3C3(COC3)N(C(c3ccccc3)c3ccccc3)n2ccc1=O
BDBM474380 Cn1cnc-2c1CN(C(c1ccccc1)c1ccccc1)n1ccc(=O)c(O)c-21
BDBM474367 Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O |r|
BDBM474368 Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)n2ncc1=O |r|
BDBM474369 OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
BDBM474370 Oc1c2-c3ncc(n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O)C(F)(F)F |r|
BDBM474371 Oc1c2-c3ncc(C#N)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
BDBM474372 CNCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
BDBM474373 Oc1c2-c3ncc(CNC4CCCCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
BDBM482418 COCCO[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:13|
BDBM482629 COCCO[C@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:13|
BDBM482718 CC(=O)N[C@@H]1[C@@H](N)CC(OC=O)=C[C@H]1N1CCC[C@H](C1)OCCO |r,c:11|
BDBM482719 CCOCCO[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:14|
BDBM482720 CC(=O)N[C@@H]1[C@@H](N)CC(OC=O)=C[C@H]1N1CCC[C@H](C1)OCCOCC1CC1 |r,c:11|
BDBM482721 COCCOC[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:14|
BDBM482722 CCOC(=O)NCCO[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:17|
BDBM482723 CCCCOC[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:14|
BDBM482724 CN(C)C(=O)OCCO[C@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:17|
BDBM482725 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCC[C@@H](C1)OCCOC(=O)N1CCOCC1)C(O)=O |r,c:8|
BDBM482726 COCCO[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)OC=O |r,c:13|
BDBM482727 COCCO[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM482728 COCCOC[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM482729 CCOC[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)OC=O |r,c:12|
BDBM482731 CCOC[C@@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:12|
BDBM482732 CCOC[C@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:12|
BDBM482733 CC(=O)N[C@@H]1[C@@H](N)CC(OC=O)=C[C@H]1N1CCC[C@@H](COCC(F)(F)F)C1 |r,c:11|
BDBM50577110 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2ccccc2OC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577111 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2cccc(OC)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577101 CCCCCCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM50577102 CCCCCCCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:15|
BDBM50577103 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577104 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577105 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCCCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577114 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNC2CCOCC2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577115 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577106 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577092 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NN)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577093 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577094 CCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM50577095 CCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM50577096 CCCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM50577097 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577098 CCCCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM50577099 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577100 CCCCCCNNC(=O)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM50577107 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577108 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2cccc(Cl)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577109 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577112 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCc2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50577113 CCC(CC)O[C@@H]1C=C(C[C@H](NC(=O)NNCC2CC2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM574849 C(c1cnc(s1)N1CCc2ccc(cc2C1)-c1c[nH]nn1)c1cccc(c1)-n1cccn1
BDBM574850 Cn1cc(nn1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM574951 Cn1cc(nn1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)-n2cccn2)s1
BDBM574980 C(c1cnc(s1)N1CCc2ccc(cc2C1)-c1c[nH]nn1)c1ccc(cc1)-n1cccn1
BDBM575061 COCCn1nncc1-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575062 COCCn1nncc1-c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)-n2cccn2)s1
BDBM575063 C(c1cnc(s1)N1CCc2ccc(cc2C1)-n1ccnc1)c1ccc(cc1)-n1cccn1
BDBM575064 C(c1cnc(s1)N1CCc2ccc(cc2C1)-c1nc[nH]n1)c1ccc(cc1)-n1cccn1
BDBM575065 COCCn1cc(nn1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575066 COCCn1cc(nn1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)-n2cccn2)s1
BDBM575067 C(c1cnc(s1)N1CCc2ccc(cc2C1)-c1nc[nH]n1)c1cccc(c1)-n1cccn1
BDBM575068 Cc1cn(cn1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575069 Cc1cn(c(C)n1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575070 C(c1cnc(s1)N1CCc2ccc(cc2C1)-n1ccnc1)c1ccc(cc1)-n1ccnc1
BDBM575071 C(c1cnc(s1)N1CCc2cc(ccc2C1)-n1ccnc1)c1ccc(cc1)-n1cccn1
BDBM575072 Cc1cn(c(C)n1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)-n2cccn2)s1
BDBM575074 Cc1cn(c(C)n1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2cncc(c2)-n2cccn2)s1
BDBM575077 COc1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)-n2cc(C)nc2C)cc1-n1cccn1
BDBM575078 Cc1cn(c(C)n1)-c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)-n2cc(C)nc2C)cc1
BDBM575079 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575080 O=C1NCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575081 CN1CCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575082 COc1cc(Cc2cnc(s2)N2CCc3ccc(cc3C2)-n2cc(C)nc2C)ccc1-n1cccn1
BDBM575083 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)-n2cccn2)s1
BDBM575085 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOCC2)s1
BDBM575086 O=C1OCCN1c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOC2=O)cc1
BDBM575087 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)N2CCS(=O)(=O)CC2)s1
BDBM575088 CS(=O)(=O)c1cccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOC2=O)c1
BDBM575089 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)N2CCOCC2)s1
BDBM575090 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCS(=O)(=O)CC2)s1
BDBM575091 O=C1CCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575092 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2cccc(c2)C#N)s1
BDBM575093 O=C1OCCN1c1cccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOC2=O)c1
BDBM575094 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-c2ncccn2)s1
BDBM575095 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(nc2)-n2cccn2)s1
BDBM575096 O=C1OCCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575097 O=C1COCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575098 CN1CCN(CC1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575099 O=C1CN(CCN1)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575100 C(c1cnc(s1)N1CCc2ccc(cc2C1)N1CCOCC1)c1ccc(cc1)-n1cccn1
BDBM575101 O=C1NCCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575102 CS(=O)(=O)c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOC2=O)cc1
BDBM575103 CN1CCCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM575104 Cc1cn(c(C)n1)-c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOC2=O)cc1
BDBM575105 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2cncc(c2)-n2cccn2)s1
BDBM575106 Cc1cn(c(C)n1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOC2=O)s1
BDBM575107 Cc1cn(c(C)n1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOCC2)s1
BDBM575108 Cc1cnc(C)n1-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOCC2)s1
BDBM575109 Cc1cn(c(C)n1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCS(=O)(=O)CC2)s1
BDBM575111 O=C1CCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOCC2)s1
BDBM575112 O=C1CCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCS(=O)(=O)CC2)s1
BDBM575113 O=C1NCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-c2ncccn2)s1
BDBM575114 CN1CCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOC2=O)s1
BDBM575115 CN1CCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-c2ncccn2)s1
BDBM575116 O=C1OCCN1c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOCC2)cc1
BDBM575118 CN1CCCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)S(C)(=O)=O)s1
BDBM575119 O=C1OCCN1c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)C2CCOCC2)s1
BDBM575121 CN1CCCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)N2CCOCC2)s1
BDBM575122 CN1CCCN(C1=O)c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)C2CCOCC2)s1
BDBM575123 COC1CN(C1)c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOC2=O)cc1
BDBM575124 O=S1(=O)CCN(CC1)c1ccc(Cc2cnc(s2)N2CCc3ccc(cc3C2)N2CCOCC2)cc1
BDBM575125 Cc1nnc(o1)-c1ccc2CCN(Cc2c1)c1ncc(Cc2ccc(cc2)-n2cccn2)s1
BDBM50598969 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc(cc2)C(=O)OC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598971 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598972 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598973 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2OC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598997 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3cccs3)c(c2)C#N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598998 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3cccs3)c(Cl)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598966 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598984 CCOc1cc(CN[C@H]2CC(=C[C@@H](OC(CC)CC)[C@@H]2NC(C)=O)C(O)=O)ccc1-c1ccccc1 |r,c:10|
BDBM50598985 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(F)cc(cc2F)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598967 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc(F)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598968 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc(cc2)[N+]([O-])=O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598970 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccc(Cl)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598999 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599000 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2[N+]([O-])=O)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599001 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C(F)(F)F)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599002 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598983 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(OC)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598974 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2F)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598975 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2[N+]([O-])=O)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598976 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598977 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598978 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(Cl)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598979 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3ccccc3)c(c2)C#N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598980 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(F)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599007 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2O)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599008 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2F)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599003 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599004 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(C)cc(cc2C)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599005 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(F)cc(cc2F)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50599006 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(C)c(cc2C)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598981 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3ccccc3)c(c2)[N+]([O-])=O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598982 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(C)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598986 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(C)c(c(C)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598987 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(F)c(cc2C)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598988 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(F)c2F)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598989 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598990 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2[N+]([O-])=O)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598991 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C(F)(F)F)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598992 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598993 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598994 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(C)cc(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598995 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(F)cc(cc2F)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50598996 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(C)c(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601823 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3ccccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601824 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601825 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Br)c3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601826 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3cccnc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601827 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3cc[nH]c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601828 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3[nH]ccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601829 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3ccn(C)c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601830 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3n(CC)ccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601831 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3occc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601832 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3sccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601836 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc3occc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601837 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc3ccsc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601838 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3ccccc3)c3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601839 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3cccs3)c3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601840 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3ccsc3)c3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601841 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc-3c(Cc4ccccc-34)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601842 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3n(CC)c4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601843 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3oc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601844 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3sc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601845 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c3ccccc3cc3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601833 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc3ccccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601834 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50601835 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc3[nH]ccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50608725 COc1cc(\C=C\c2cc(O)cc(O)c2Cc2ccc(O)c(O)c2)ccc1O