0 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C[SiH](C)O[SiH](C)C LS40745 [0,0,0,0,0,0|1,2,1]=4 4 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 Cc1cc(cs1)Br LS20656 [0,0,0,1,0,0|2,1,0]=4 17 B7R1.2 Cc1ccc(s1)Br LS20655 [0,0,0,1,0,0|1,1,1]=4 18 B7R1.2 Cc1ccc(s1)C LS20641 [0,0,0,1,0,0|1,1,0]=3 19 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,0,0,1,0,0|1,1,1]=4 20 B7R1.2 Cc1ccn(n1)C LS20249 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 Cc1cnc(s1)N LS20937 [0,0,0,1,0,0|2,1,0]=4 22 B5R0.5 B(C(=C)C)(O)O LS11152 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,1,0|3,0,0]=4 24 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,1,0|3,0,0]=4 25 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,1,0|3,0,0]=4 26 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,1,0|3,0,0]=4 27 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,1,0|3,0,0]=4 28 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,1,0|3,0,0]=4 29 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,1,0|3,0,0]=4 30 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,1,0|3,0,0]=4 31 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,1,0|2,0,0]=3 32 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,1,0|2,0,0]=3 33 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,1,0|2,0,0]=3 34 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,1,0|2,0,0]=3 35 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,1,0|2,0,0]=3 36 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,1,0|2,0,1]=4 37 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,1,0|2,0,1]=4 38 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,1,0|2,0,1]=4 39 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,1|3,0,0]=4 40 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.1 CCOC(=O)CBr LS40563 [1,1,0,0,0,0|0,0,1]=3 42 B6R0.1 CCOC(=O)CF LS40582 [1,1,0,0,0,0|0,0,1]=3 43 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|0,0,1]=3 44 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 CC(=C)C(=O)NC LS41593 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 CC(=O)N(C)OC LS41178 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.4 C=CCCC(=O)O LS41473 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,1|1,0,0]=3 49 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.24 CC(C)(C)OC(=O)CBr LS41216 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.24 CC(C)(C)OC(=O)CCl LS41215 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.24 CC(C)(C)OC(=O)CN LS40344 [0,2,0,0,0,0|0,0,2]=4 53 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,1]=3 54 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|2,0,0]=4 57 B6R1.2 Cc1[nH]ccn1 LS20670 [1,0,0,1,0,0|2,0,0]=4 58 B6R1.2 Cc1cccs1 LS20640 [1,0,0,1,0,0|0,1,1]=4 59 B6R1.2 c1coc(=O)o1 LS40378 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.1 Cc1ccc(s1)C=O LS20392 [0,1,0,1,0,0|0,1,1]=4 62 B8R1.4 Cc1cc(cnc1)C LS41253 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.18 Cc1c(oc(n1)C)C LS20281 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.18 Cc1cc(=O)n([nH]1)C LS20878 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.50 C1CC(=O)N(C1=O)I LS00001 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.50 C1CC(=O)N(C1=O)O LS00022 [0,1,0,1,0,0|2,0,0]=4