0 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,0,0|3,1,0]=4 1 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,0,0|2,1,1]=4 4 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|2,1,0]=4 5 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|1,1,1]=4 6 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,1,0]=2 8 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,1,0]=2 9 B4R0.1 COC(Cl)Cl LS00123 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|1,1,0]=3 11 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,1,0]=3 12 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,1,0]=3 13 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|0,2,0]=3 14 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|1,1,0]=3 15 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,1,0]=3 16 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|0,2,0]=3 18 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,1,0,0,0,0|1,1,1]=4 19 B6R0.7 CC(C(F)(F)F)O LS40293 [0,1,0,0,0,0|2,1,0]=4 20 B6R0.2 CC(C)CC(C)N LS41472 [0,0,0,0,0,1|2,0,0]=3 21 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 22 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,1,0]=4 23 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,1,0]=4 24 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 25 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 27 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,1,0]=3 28 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|0,1,0]=3 32 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|0,1,0]=3 33 B5R0.1 CN(C)CCCl LS41162 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|1,1,0]=4 37 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|1,1,0]=4 38 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|0,2,0]=4 39 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|0,2,0]=4 40 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|0,2,0]=4 41 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|0,2,0]=4 42 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|0,1,0]=3 44 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|0,1,0]=3 45 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|1,1,0]=4 46 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,1,0]=4 47 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|1,1,0]=4 48 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,0,0,0,1|2,0,0]=4 49 B7R0.10 C(C(C(CO)Br)Br)O LS41719 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.17 CC(C)(C(C)(C)O)O LS40672 [0,2,0,0,0,0|0,2,0]=4 51 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|0,1,1]=4 52 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,1,0]=4 53 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,1,0]=4 54 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,1,1]=4 55 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,1,0]=4 56 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|0,2,0]=4 57 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|0,2,0]=4 58 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,1,0]=3 59 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,1,0]=3 60 B7R0.6 CC(C)CCC(C)N LS41494 [0,0,0,0,0,2|2,0,0]=4