0 B5R0.3 C(C(CCl)O)Cl 10131 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(CF)O)F 9295 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C(C(CO)N)O 6680 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C([C@H](CCl)O)O 10506 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 B(CC)(O)O 5199 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 C(C(=O)N)Br 9173 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 C(C(=O)N)Cl 6815 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C(C(=O)N)N 5258 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C(C(=O)O)Cl 8290 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C(C(=O)O)O G0026 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C(C(F)F)I 5445 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CC(CO)N 6831 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CCC(=O)N 8889 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CCS(=O)[O-] 8969 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C[C@H](CO)N 5724 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 C#CCCO 9231 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 C(CN)CBr 9620 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 C(CO)CBr 8105 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 C(CO)CI 8013 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 C=CCCBr 5697 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 COCCBr 5599 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCOC(=O)C=O 6826 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.3 C(C(C(=O)O)Br)Br 6758 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 C(C(C(=O)O)N)O 6847 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 C(C(C(=O)O)N)O 8529 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 C([C@@H](C(=O)O)N)S 6874 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CCC(C(=N)[O-])N 8499 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.9 CCN(CC)CC 5152 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.9 COC(CN)OC 8103 [0,1,0,0,0,0|2,0,1]=4 29 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 C1CCC(C1)Br 6579 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 C1COCC1O 5705 [0,0,0,1,0,0|1,0,2]=4 32 B6R1.2 C1COCC1O 6234 [0,0,0,1,0,0|1,0,2]=4 33 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.6 C1CC(C1)CO 8690 [0,0,0,1,0,0|0,0,2]=3 35 B6R1.7 CC1(CO1)CCl 8874 [0,0,0,1,0,0|1,0,2]=4 36 B3R0.1 C(CI)F 10671 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 C(CO)O 5930 [2,0,0,0,0,0|1,0,1]=4 38 B3R0.1 CNOC 5044 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.2 CC(Cl)Cl 6701 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 CS(=O)O 5013 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CN(C)CCCl 5994 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.4 CC(C)(C#C)N 8051 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.4 CC(C)(CO)N 9438 [1,1,0,0,0,0|0,0,2]=4 44 B5R0.5 CC(=O)C(F)F 6617 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.5 C[C@@H](C(=O)O)N 5042 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 C[C@@H](C(=O)O)N 5087 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.2 C(CCN)CN 8513 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.2 C(CCl)N=C=O 8994 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.2 COCCCBr 9602 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.2 C(C(CN)O)C(=O)O 8603 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.5 C(CN)C(C(=O)O)N 5486 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.12 CCC(CC)N=C=S 8049 [0,2,0,0,0,0|0,1,1]=4 55 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 6845 [0,2,0,0,0,0|1,0,0]=3 56 B5R1.2 C1C(CN1)O 5077 [1,0,0,1,0,0|1,0,1]=4 57 B5R1.2 C1CC(=O)C1 5717 [1,0,0,1,0,0|0,0,1]=3 58 B5R1.3 C1CC1C=O 8503 [1,0,0,1,0,0|0,0,0]=2 59 B5R1.3 C1CC1CN 9710 [1,0,0,1,0,0|1,0,1]=4 60 B5R1.3 C1CC1CO 6152 [1,0,0,1,0,0|0,0,2]=4 61 B5R1.1 C1CCOC1 5749 [1,0,0,1,0,0|0,0,2]=4 62 B7R1.1 C1CCC(C1)CO 8627 [0,1,0,1,0,0|0,0,2]=4 63 B7R1.2 C1CC(=O)CC1=O 5093 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.3 C1CC=CC(C1)Br 8970 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.4 C1COC(=O)C1Br 8284 [0,1,0,1,0,0|1,0,0]=3 66 B7R1.4 CC1C(=O)CCO1 10277 [0,1,0,1,0,0|0,0,0]=2 67 B7R1.4 CN1CCCC1=O 5092 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.4 CN1CCCC1=O M0011 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.18 C1C(CN1)C(=O)O 10615 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.18 C1CC(C1)C(=O)O 8209 [0,1,0,1,0,0|0,0,0]=2 71 B7R1.29 C1CC1(CO)CO 6738 [0,1,0,1,0,0|0,0,2]=4