0 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,0,0|0,2,2]=4 1 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,0,0,0,0,0|3,1,0]=4 5 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,0,0,0,0|1,2,1]=4 6 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,0,0|1,2,1]=4 9 B4R0.1 C#CC(C)O BB_SC-06602 [1,0,0,0,0,0|0,1,2]=4 10 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|0,2,1]=4 12 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|1,1,1]=4 13 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|0,2,0]=3 18 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|0,1,1]=3 20 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|0,1,0]=2 22 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,1,0]=3 23 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,1,0,0,0,0|1,1,1]=4 24 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,1,0,0,0,0|1,1,1]=4 25 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,0,0,1,0,0|1,1,1]=4 26 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,0,1|1,1,1]=4 27 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 28 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,1,0]=4 33 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,1,0]=4 34 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,1,0]=4 35 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,1,0]=4 36 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|0,0,0]=2 37 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,0]=3 38 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|0,1,1]=4 41 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.1 CC(C)CCBr BB_SC-07141 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 CC(C)CCI BB_SC-06842 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.1 CC(C)CCS BB_SC-06570 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,1,0]=3 46 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|0,1,0]=3 47 B5R0.1 CN(C)CCCl BB_SC-07254 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.1 CN(C)CCN BB_SC-10968 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|0,1,1]=4 50 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|0,1,1]=4 51 B5R0.3 CCC(N)CO BB_SC-06587 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.3 COC(=O)CS BB_SC-06606 [1,1,0,0,0,0|0,1,1]=4 53 B5R0.3 NCC(O)CN BB_SC-06694 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.3 OCC(O)CCl BB_SC-06682 [1,1,0,0,0,0|0,2,0]=4 55 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|1,1,0]=4 56 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|2,0,0]=4 57 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|0,1,0]=3 58 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,1,0]=4 59 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,1,0]=4 60 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,1,0]=4 61 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.4 NC1CSCC1O BB_NC-00016 [0,1,0,1,0,0|1,1,0]=4 63 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|0,2,0]=4