0 B6R0.3 CC(=C)C(=O)NC LS41593 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CC(=O)N(C)OC LS41178 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CCC(=O)C(=O)O LS41883 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 COC(=O)C(=C)F LS41928 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.3 COC(=O)C#C LS40367 [1,0,0,0,0,0|0,0,2]=3 7 B5R0.3 COC(=O)CBr LS40562 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.3 COC(=O)CF LS40581 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.5 B(C(=C)C)(O)O LS11152 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.5 CC(=O)C(=O)O LS41153 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.5 CC(C(=O)O)Br LS40410 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.14 CC(C)(C(=O)OC)N LS40067 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.14 CC(C)(C(=O)OC)O LS40349 [0,1,0,0,0,0|0,0,2]=3 29 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.4 Cc1ccsc1Br LS20654 [0,0,0,1,0,0|1,1,1]=4 31 B7R1.4 Cc1ccsc1Cl LS20652 [0,0,0,1,0,0|1,1,1]=4 32 B7R0.2 COC(=O)CC(=O)O LS41603 [0,0,0,0,0,1|2,0,0]=3 33 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,0,0,0,0,1|1,0,1]=3 34 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,0,0,0,0,1|1,0,1]=3 35 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,0,0,0,0,1|1,0,1]=3 36 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,0,0,0,0,1|1,0,1]=3 37 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,0,0,0,0,1|1,0,0]=2 38 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|0,0,1]=3 39 B4R0.1 CC(=NO)C LS00155 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.7 CC(C)(C(=O)O)N LS41573 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.5 CCOC(=O)CC(=O)Cl LS40576 [0,1,0,0,0,1|2,0,0]=4 42 B8R0.5 CCOC(=O)CC(=O)[O-] LS40579 [0,1,0,0,0,1|2,0,0]=4 43 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,1,0,0,0,1|1,0,0]=3 44 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,1,0,0,0,1|1,0,1]=4 45 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,1,0,0,0,1|1,0,1]=4 46 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,1,0,0,0,1|1,0,1]=4 47 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.14 CC(C)(C)C(=O)OCCl LS40448 [0,2,0,0,0,0|0,0,2]=4 49 B8R0.13 CC(C)(CO)C(=O)OC LS41949 [0,2,0,0,0,0|0,0,2]=4 50 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,0,1]=4 51 B6R1.2 Cc1c[nH]nc1 LS20097 [1,0,0,1,0,0|2,0,0]=4 52 B6R1.2 Cc1cnoc1 LS20829 [1,0,0,1,0,0|1,0,0]=3 53 B6R1.2 c1cocc1Br LS20289 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.18 Cc1cc(=O)n([nH]1)C LS20878 [0,0,0,1,0,1|2,0,0]=4 55 B8R1.11 Cc1ccsc1C=O LS20658 [0,1,0,1,0,0|0,1,1]=4