0 B5R0.1 C#CCN(C)C BB_SC-06626 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C=C(C)CCO BB_NC-02269 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(=O)CCO BB_SC-06926 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(C)=CCO BB_NC-02261 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 CC(C)CC=O BB_NC-02289 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(C)CCBr BB_SC-07141 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CC(C)CCI BB_SC-06842 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(C)CCS BB_SC-06570 [0,0,0,0,0,0|1,1,0]=2 8 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 CC(O)CCO BB_SC-11995 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CCCC(C)O BB_SC-07025 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CN(C)CCCl BB_SC-07254 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CN(C)CCN BB_SC-10968 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.1 CSCC(C)=O BB_SC-12665 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 NCCC(=O)O BB_SC-12000 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,0,0,0,0,0|4,0,0]=4 22 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|0,0,0]=1 43 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,1,0,0,0,0|0,0,1]=2 59 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,1,0,0,0,0|0,1,1]=3 60 B6R0.2 CN(C)CN(C)C BB_SC-09410 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,1,0,0,0,0|1,1,1]=4 66 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 CN(C)CCC#N BB_SC-06817 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.4 CN(C)CCCN BB_SC-06473 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.4 CN(C)CCCO BB_SC-06804 [0,1,0,0,0,0|0,0,0]=1 72 B6R0.5 C[N+](C)(C)CCO BB_NC-02276 [0,1,0,0,0,0|0,0,1]=2 73 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|2,1,0]=4 76 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,0,0,1,0,0|3,0,0]=4 77 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 C#CCN BB_SC-08803 [2,0,0,0,0,0|1,0,1]=4 79 B3R0.1 C#CCO BB_SC-06540 [2,0,0,0,0,0|0,0,2]=4 80 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|0,0,2]=4 82 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 83 B3R0.1 N#CCN BB_SC-06479 [2,0,0,0,0,0|1,0,1]=4 84 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|1,0,0]=3 85 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|1,0,0]=3 86 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,0]=3 87 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,0]=3 88 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,0]=3 89 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|1,1,0]=4 91 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.3 CCC(N)CO BB_SC-06587 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.3 COC(=O)CO BB_SC-06427 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.3 OCC(O)CCl BB_SC-06682 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.4 C[Si](C)(C)CN BB_SC-09439 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,1,0,0,0,0|0,0,2]=4 101 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [1,1,0,0,0,0|0,1,1]=4 102 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [1,1,0,0,0,0|0,1,1]=4 103 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.2 BrCCCCBr BB_SC-06730 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.2 CCCCC=O BB_NC-02285 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.2 CCCCCN BB_SC-06799 [1,1,0,0,0,0|2,0,0]=4 107 B5R0.2 CCNCCO BB_SC-07158 [1,1,0,0,0,0|0,0,0]=2 108 B5R0.2 CCOCCBr BB_SC-07261 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.2 CNCCC#N BB_SC-07065 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.2 CNCCCN BB_SC-07066 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.2 COCCCN BB_SC-06753 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.2 NCCCCN BB_NC-02221 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.12 CCN(CC)CCN BB_SC-06438 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.12 CCN(CC)CCO BB_SC-06638 [0,2,0,0,0,0|0,0,0]=2 118 B7R0.12 CCN(CC)CCS BB_SC-06455 [0,2,0,0,0,0|0,1,0]=3 119 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.15 COC(OC)N(C)C BB_SC-05862 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.6 CN(C)CCN(C)C BB_SC-09406 [0,2,0,0,0,0|1,0,0]=3 125 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|2,0,0]=4 126 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|2,0,0]=4 127 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|2,0,0]=4 128 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|1,1,0]=4 130 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.3 NN1CCCCC1 BB_SC-04637 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.3 NN1CCOCC1 BB_SC-06464 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|2,0,0]=4