0 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 CCOC(=O)C(=O)C BC676704 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.6 CC(C)COC(=O)Cl BC226048 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.6 C[S+](C)CCC(=O)O BC215874 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N BC676889 [0,1,0,0,0,0|1,0,2]=4 7 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O BC679186 [0,1,0,0,0,0|1,0,2]=4 8 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,0,0,1,0,0|1,0,1]=3 9 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.35 Cc1cc(no1)C(=O)O BC650587 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 Cn1cc(nc1)C(=O)O BC219620 [0,0,0,1,0,0|2,0,1]=4 13 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,0,0,0,1,0|2,0,1]=4 14 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,0,0,0,1,0|2,0,1]=4 15 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,0,0,0,0,1|1,0,2]=4 16 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,0,0,0,0,1|1,0,2]=4 17 B6R0.1 CCOC(=O)C=O BC222485 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.2 CC(=CC(=O)O)C BC200231 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.2 CC(C)CC(=O)O BC677309 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.2 CC(OC(=O)C)Br BC650646 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 C(\C=C\C(=O)O)O BC224091 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.3 C(C(=O)C(=O)O)Br BC213512 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.3 CC[C@H](C(=O)O)N BC681077 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [2,0,0,0,0,0|0,0,0]=2 28 B8R0.27 CC(C)(C)C(=O)C(=O)O BC201770 [0,1,0,0,1,0|1,0,0]=3 29 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BC226285 [0,1,0,0,1,0|1,0,1]=4 30 B8R0.27 CC(C)(C)[C@H](C(=O)O)N BC675596 [0,1,0,0,1,0|1,0,1]=4 31 B8R0.27 CC(C)([C@@H](C(=O)O)N)O BC227829 [0,1,0,0,1,0|1,0,1]=4 32 B8R0.27 CC(C)([C@H](C(=O)O)N)O BC213767 [0,1,0,0,1,0|1,0,1]=4 33 B8R0.37 CC(C)C(C)(C(=O)N)N BC202254 [0,1,0,0,1,0|1,0,1]=4 34 B10R0.31 CC(C)(C)OC(=O)CC(=O)O BC200552 [0,1,0,0,0,1|2,0,0]=4 35 B10R0.70 CC(C)CC(CC(=O)O)CN BC219803 [0,1,0,0,0,1|0,0,2]=4 36 B10R0.70 CC(C)CC(CC(=O)O)CN BC678025 [0,1,0,0,0,1|0,0,2]=4 37 B10R0.70 CC(C)C[C@@H](CC(=O)O)CN BC634849 [0,1,0,0,0,1|0,0,2]=4 38 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.329 CC1(OC(=O)CC(=O)O1)C BC203397 [0,0,0,1,0,1|2,0,0]=4 42 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O BC220156 [0,1,0,1,0,0|0,0,2]=4 43 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [1,0,0,0,0,1|1,0,0]=3