0 B5R0.2 BrCCCCBr BB_SC-06730 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 CCCCC=O BB_NC-02285 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.2 CCCCCN BB_SC-06799 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.2 CCNCCO BB_SC-07158 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.2 CCOCCBr BB_SC-07261 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 CNCCC#N BB_SC-07065 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CNCCCN BB_SC-07066 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 COCCCN BB_SC-06753 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.2 N#CCCC#N BB_SC-05735 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 NCCCCN BB_NC-02221 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 O=C=NCCCl BB_SC-04063 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|0,0,2]=3 13 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.2 CCN=C=S BB_SC-06545 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,1,0,0,0,0|1,1,1]=4 29 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,1,0,0,0,0|0,0,3]=4 36 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,1,0,0,0,0|1,1,1]=4 39 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,1,0,0,0,0|0,0,2]=3 41 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,1,0,0,0,0|0,0,2]=3 42 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,1,0,0,0,0|0,0,3]=4 43 B6R0.4 CN(C)CCC#N BB_SC-06817 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.4 CN(C)CCCN BB_SC-06473 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.4 CN(C)CCCO BB_SC-06804 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.6 BrCCCCCBr BB_SC-06835 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.6 CCCCCCBr BB_SC-06675 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.6 CCCCCCI BB_SC-07033 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.6 CCCCCCN BB_SC-05552 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.6 CCCCN=C=O BB_SC-06541 [0,1,0,0,0,0|0,0,2]=3 54 B6R0.6 CCCCOC=O BB_SC-07045 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.6 CCCNCCC BB_SC-06961 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.6 CCOCCCN BB_SC-06885 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.6 COCCN=C=S BB_SC-01858 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.6 NCCCCCN BB_NC-02202 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.6 NCCNCCN BB_SC-05557 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.6 NCCNCCO BB_SC-05591 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.6 NCCOCCO BB_SC-07134 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.6 NCCSCCO BB_SC-09747 [0,1,0,0,0,0|1,0,0]=2 63 B6R1.1 C1=COCCC1 BB_SC-07074 [0,0,0,1,0,0|0,0,2]=3 64 B6R1.1 C1CSCCN1 BB_SC-06531 [0,0,0,1,0,0|1,1,0]=3 65 B6R1.1 C1OCOCO1 BB_SC-06816 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|1,0,0]=2 68 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|0,0,2]=3 69 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|1,0,2]=4 70 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.3 COCC1CO1 BB_SC-09489 [0,0,0,1,0,0|1,0,0]=2 73 B6R1.3 S=C=NC1CC1 BB_SC-05675 [0,0,0,1,0,0|1,1,1]=4 74 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.1 C#CCO BB_SC-06540 [2,0,0,0,0,0|0,0,2]=4 76 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 77 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,0]=3 82 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,0]=3 83 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,0]=3 84 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|1,1,0]=4 85 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|0,0,1]=3 86 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.1 CC(C)=CCO BB_NC-02261 [1,1,0,0,0,0|0,0,2]=4 88 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|0,0,2]=4 89 B5R0.1 CC(C)CCBr BB_SC-07141 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 CC(C)CCI BB_SC-06842 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.1 CC(C)CCS BB_SC-06570 [1,1,0,0,0,0|0,1,0]=3 92 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,0,0]=2 93 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,1,0,0,0,0|0,0,2]=4 94 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|0,0,0]=2 95 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 CN(C)CCCl BB_SC-07254 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.1 CN(C)CCN BB_SC-10968 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.1 CNCC(=O)O BB_NC-02298 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.1 NCCC(=O)O BB_SC-12000 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|0,0,1]=3 104 B5R0.3 CCC(=O)NO BB_SC-06499 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 CCC(N)CO BB_SC-06587 [1,1,0,0,0,0|0,0,0]=2 106 B5R0.3 COC(=O)CO BB_SC-06427 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.3 NCC(O)CN BB_SC-06694 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.3 OCC(O)CCl BB_SC-06682 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.3 CCCCC(=O)NN BB_SC-00088 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.3 CNCC\C(N)=N\O BB_SC-11523 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.3 COCC\C(N)=N\O BB_SC-12262 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.12 CCN(CC)CCN BB_SC-06438 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.12 CCN(CC)CCO BB_SC-06638 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.12 CCN(CC)CCS BB_SC-06455 [0,2,0,0,0,0|1,1,0]=4 122 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,2,0,0,0,0|0,0,1]=3 123 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,2,0,0,0,0|0,0,2]=4 125 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,2,0,0,0,0|0,0,1]=3 126 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,2,0,0,0,0|1,0,1]=4 128 B7R0.1 C=CCCCCCC BB_SC-07258 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.1 CCCCCCCI BB_SC-09408 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.1 CCCCCN=C=S BB_NC-02794 [0,2,0,0,0,0|0,1,0]=3 131 B7R0.1 COCCCN=C=S BB_SC-01857 [0,2,0,0,0,0|0,1,1]=4 132 B7R0.1 COCCNCC#N BB_SC-05180 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.1 NCCCCCCN BB_NC-02277 [0,2,0,0,0,0|1,0,0]=3 134 B7R0.1 NCCSSCCN BB_SC-00059 [0,2,0,0,0,0|2,0,0]=4 135 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|0,0,2]=4 136 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|1,0,0]=3 137 B5R1.3 C(=O)C1CC1 BB_SC-11514 [1,0,0,1,0,0|0,0,2]=4 138 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|0,0,0]=2 139 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,0,0]=3 140 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,0,0]=3 141 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,0,0]=3 142 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.1 BrCC1OCCO1 BB_SC-06594 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|1,1,0]=4 145 B7R1.1 ClCC1OCCO1 BB_SC-06593 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,1,0,1,0,0|0,0,0]=2 147 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|0,0,1]=3 148 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.3 NN1CCCCC1 BB_SC-04637 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.3 NN1CCOCC1 BB_SC-06464 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,1,0,1,0,0|0,0,2]=4 153 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,1,0,1,0,0|0,0,2]=4 154 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,1,0,1,0,0|0,0,1]=3 155 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,1,0,1,0,0|0,0,2]=4 156 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,1,0,1,0,0|0,0,0]=2 157 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,1,0,1,0,0|0,0,0]=2 158 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.4 NC1CSCC1O BB_NC-00016 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.22 C\C(=N/O)C1CC1 BB_SC-00309 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.25 CC1(CO)COC1 BB_SC-05506 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.7 CCCCC1CO1 BB_SC-05509 [0,1,0,1,0,0|0,0,0]=2 166 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,1,0,1,0,0|0,0,1]=3 169 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.24 C1=CCOCOC1 BB_SC-05392 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.24 C1CCCNCC1 BB_SC-12394 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.24 C1CNCCNC1 BB_SC-11240 [0,1,0,1,0,0|1,0,0]=3