0 B5R0.1 C#CCN(C)C BB_SC-06626 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO BB_NC-02269 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(=O)CCO BB_SC-06926 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.1 CC(C)=CCO BB_NC-02261 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(C)CC=O BB_NC-02289 [0,0,0,0,0,0|2,0,1]=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|2,0,0]=2 8 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(O)CCO BB_SC-11995 [0,0,0,0,0,0|1,1,0]=2 10 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.1 CCCC(C)O BB_SC-07025 [0,0,0,0,0,0|0,1,0]=1 12 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,0,0,0,0,0|2,1,1]=4 14 B5R0.1 CN(C)CCCl BB_SC-07254 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CN(C)CCN BB_SC-10968 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CNCC(=O)O BB_NC-02298 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.1 CNCC(N)=O BB_NC-02649 [0,0,0,0,0,0|2,1,1]=4 18 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.1 CSCC(C)=O BB_SC-12665 [0,0,0,0,0,0|1,1,1]=3 20 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,0,0,0,0,0|2,1,1]=4 21 B5R0.1 NCCC(=O)O BB_SC-12000 [0,0,0,0,0,0|2,1,1]=4 22 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,0,0,0,0,0|2,1,1]=4 24 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,0,0,0,0,0|2,1,1]=4 25 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,0,0,0,0,0|2,1,1]=4 26 B4R0.1 C#CC(C)O BB_SC-06602 [1,0,0,0,0,0|0,1,2]=4 27 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|1,1,1]=4 28 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|1,1,1]=4 29 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|1,1,0]=3 34 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|1,1,0]=3 35 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|0,1,1]=3 37 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|0,1,0]=2 39 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,1,0]=3 40 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|0,1,2]=4 42 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 CCN=C=S BB_SC-06545 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|1,1,0]=3 48 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|1,1,1]=4 52 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|2,1,0]=4 56 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|1,1,0]=3 57 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,1,0,0,0,0|1,1,1]=4 61 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|1,1,0]=3 62 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,1,0,0,0,0|1,1,1]=4 63 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,1,0,0,0,0|0,1,1]=3 65 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,1,0,0,0,0|1,1,1]=4 66 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,1,0,0,0,0|1,1,1]=4 67 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,1,0,0,0,0|1,1,1]=4 68 B6R0.2 CN(C)CN(C)C BB_SC-09410 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,1,0,0,0,0|1,1,1]=4 70 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,1,0,0,0,0|0,1,1]=3 73 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,1,0,0,0,0|1,1,1]=4 74 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,1,0,0,0,0|1,1,1]=4 77 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,1,0,0,0,0|0,1,1]=3 78 B6R0.4 CN(C)CCC#N BB_SC-06817 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CN(C)CCCN BB_SC-06473 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 CN(C)CCCO BB_SC-06804 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,1,0,0,0,0|1,1,1]=4 83 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,1,0,0,0,0|1,1,1]=4 84 B6R0.5 CCCS(=O)(=O)Cl BB_SC-09421 [0,1,0,0,0,0|2,1,0]=4 85 B6R0.5 C[N+](C)(C)CCO BB_NC-02276 [0,1,0,0,0,0|3,0,0]=4 86 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 NC1=NCCS1 BB_SC-06601 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|1,0,0]=2 89 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|0,1,1]=3 90 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|1,1,1]=4 91 B6R1.2 SC1=NCCS1 BB_SC-06486 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.3 COCC1CO1 BB_SC-09489 [0,0,0,1,0,0|1,1,0]=3 93 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,0,0,1,0,0|0,1,1]=3 94 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [0,0,0,1,0,0|1,1,1]=4 95 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [0,0,0,1,0,0|1,1,1]=4 96 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 97 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 98 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 99 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 100 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,1,0]=4 102 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,1,0]=4 103 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,1,0]=4 104 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,1,0]=4 105 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|1,0,0]=3 106 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,0]=3 107 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|0,1,1]=4 109 B5R0.3 CCC(N)CO BB_SC-06587 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.3 NCC(O)CN BB_SC-06694 [1,1,0,0,0,0|1,1,0]=4 111 B5R0.3 OCC(O)CCl BB_SC-06682 [1,1,0,0,0,0|1,1,0]=4 112 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.2 BrCCCCBr BB_SC-06730 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.2 CCCCC=O BB_NC-02285 [1,1,0,0,0,0|0,0,1]=3 116 B5R0.2 CCCCCN BB_SC-06799 [1,1,0,0,0,0|0,0,0]=2 117 B5R0.2 CCNCCO BB_SC-07158 [1,1,0,0,0,0|0,1,0]=3 118 B5R0.2 CCOCCBr BB_SC-07261 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.2 CNCCC#N BB_SC-07065 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.2 CNCCCN BB_SC-07066 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.2 COCCCN BB_SC-06753 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.2 NCCCCN BB_NC-02221 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,2,0,0,0,0|0,1,1]=4 124 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,2,0,0,0,0|0,1,1]=4 125 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,2,0,0,0,0|0,1,1]=4 126 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,2,0,0,0,0|0,1,1]=4 127 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,2,0,0,0,0|0,1,1]=4 128 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,2,0,0,0,0|1,1,0]=4 129 B7R0.12 CNCC(OC)OC BB_SC-05502 [0,2,0,0,0,0|1,1,0]=4 130 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,2,0,0,0,0|0,1,1]=4 131 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,2,0,0,0,0|0,1,1]=4 132 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,2,0,0,0,0|0,1,1]=4 133 B7R0.6 CN(C)CCN(C)C BB_SC-09406 [0,2,0,0,0,0|2,0,0]=4 134 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|2,0,0]=4 135 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|0,1,0]=3 136 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,1,0]=4 137 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,1,0]=4 138 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,1,0]=4 139 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 BrCC1OCCO1 BB_SC-06594 [0,1,0,1,0,0|1,1,0]=4 141 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.1 ClCC1OCCO1 BB_SC-06593 [0,1,0,1,0,0|1,1,0]=4 143 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|0,1,1]=4 145 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.3 NN1CCCCC1 BB_SC-04637 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.3 NN1CCOCC1 BB_SC-06464 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,1,0,1,0,0|0,1,1]=4 149 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,1,0,1,0,0|0,1,1]=4 150 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,1,0,1,0,0|0,1,1]=4 151 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,1,0,1,0,0|0,1,1]=4 152 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,1,0,1,0,0|0,1,0]=3 153 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,1,0,1,0,0|0,1,0]=3 154 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,1,0,0|1,1,0]=4 155 B7R1.3 SC1=NCCCN1 BB_SC-05375 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.4 NC1CSCC1O BB_NC-00016 [0,1,0,1,0,0|1,1,0]=4 158 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|1,1,0]=4 159 B7R1.22 C\C(=N/O)C1CC1 BB_SC-00309 [0,1,0,1,0,0|0,1,1]=4 160 B7R1.25 CC1(CO)COC1 BB_SC-05506 [0,1,0,1,0,0|1,1,0]=4 161 B7R1.7 CCCCC1CO1 BB_SC-05509 [0,1,0,1,0,0|0,1,0]=3 162 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [0,1,0,1,0,0|1,1,0]=4