0 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,0,0,0,0,0|0,0,3]=3 2 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.4 C=CCCC(=O)O LS41473 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,0|1,0,2]=4 7 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.3 c1cc(ccc1O)Br LS11445 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.3 c1cc(ccc1O)F LS10647 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.3 c1cc(ccc1O)I LS10366 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.3 c1cc(ncc1F)O LS20722 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.3 c1cc(ncc1N)O LS20334 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.3 c1cc(ncc1O)F LS20343 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.3 c1cc(ncc1O)N LS20718 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,0,0,1,0,0|1,0,2]=4 17 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,0,0,0,0,1|0,0,2]=3 18 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,1|3,0,0]=4 19 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|0,0,2]=4 20 B7R0.4 CCO\C=C\C(=O)O LS40208 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,1,0|0,0,1]=3 22 B9R0.24 COC(=O)C#CC(=O)OC LS40366 [0,2,0,0,0,0|0,0,2]=4 23 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,0,0,1,0,1|1,1,0]=4 25 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,0,0,1,0,1|1,1,0]=4 26 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,0,0,1,0,1|2,0,0]=4 27 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,0,0,1,0,1|1,1,0]=4 28 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,0,0,1,0,1|1,1,0]=4 29 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,0,0,1,0,1|1,1,0]=4 30 B9R1.1 COc1ccc(cc1)O LS10474 [0,1,0,1,0,0|2,0,0]=4 31 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.69 c1cc(c(cc1O)F)O LS00052 [0,1,0,1,0,0|2,0,0]=4 33 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [0,1,0,1,0,0|2,0,0]=4 34 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,2,0|0,0,1]=3 35 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,2,0|0,0,2]=4 36 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,2,0|0,0,2]=4 37 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,2,0|0,0,2]=4 38 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,2,0|0,0,2]=4 39 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,2,0|0,0,2]=4 40 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,2,0|0,0,2]=4 41 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,2,0|0,0,2]=4 42 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,2,0|1,0,0]=3 43 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,2,0|1,0,1]=4 44 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,2,0|1,0,1]=4 45 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,2,0|1,0,1]=4 46 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,2,0|1,0,1]=4