0 B6R0.2 B(CC(C)C)(O)O LS40457 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|1,0,1]=3 18 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.2 Cc1cc(cs1)Br LS20656 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 Cc1cc(no1)N LS21146 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|1,0,2]=4 23 B5R0.5 B(C(=C)C)(O)O LS11152 [0,0,0,0,1,0|1,0,2]=4 24 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,1,0|1,0,2]=4 25 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,1,0|2,0,0]=3 26 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,1,0|2,0,1]=4 27 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,1,0|2,0,1]=4 28 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,1,0|2,0,1]=4 29 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,1,0|2,0,1]=4 31 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,1,0|2,0,1]=4 32 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,1,0|2,0,1]=4 33 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,1,0|1,0,0]=2 34 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,1,0|1,0,1]=3 35 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,1,0|1,0,1]=3 36 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,1,0|1,0,1]=3 37 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,1,0|1,0,1]=3 38 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,1,0|1,0,1]=3 39 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,1,0|1,0,1]=3 40 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,1,0|1,0,1]=3 41 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,1|2,0,1]=4 42 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,0,0,0,0,1|2,0,1]=4 43 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,1|2,0,1]=4 44 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,1|1,0,1]=3 45 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|0,0,2]=4 46 B4R0.1 CC(=NO)C LS00155 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|0,0,1]=3 50 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|0,0,2]=4 51 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|0,0,2]=4 52 B6R0.4 C=CCCC(=O)O LS41473 [1,1,0,0,0,0|0,0,2]=4 53 B6R0.5 CC(C)(C)CC=O LS40274 [1,1,0,0,0,0|0,0,2]=4 54 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,1,0,0,1,0|0,0,1]=3 55 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,1|1,0,1]=4 56 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,2,0,0,0,0|1,0,1]=4 57 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,2]=4 58 B6R1.2 Cc1cc[nH]n1 LS20095 [1,0,0,1,0,0|2,0,0]=4 59 B6R1.2 Cc1cccs1 LS20640 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.2 Cc1cnoc1 LS20829 [1,0,0,1,0,0|1,0,1]=4 61 B6R1.2 c1coc(=O)o1 LS40378 [1,0,0,1,0,0|1,0,1]=4 62 B6R1.2 c1cocc1Br LS20289 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.2 c1conc1N LS20282 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|0,0,2]=4 65 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,0,0,1,0,1|1,0,1]=4 66 B8R1.1 c1c(coc1C=O)Br LS20868 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.18 Cc1c(oc(n1)C)C LS20281 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.18 Cc1cc(=O)n([nH]1)C LS20878 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.50 Cc1c(c(on1)C)I LS40341 [0,1,0,1,0,0|2,0,0]=4 70 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,2|1,0,0]=3