0 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)CC BB_SC-06948 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(=O)NO BB_SC-06499 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CCC(N)CO BB_SC-06587 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 NCC(O)CN BB_SC-06694 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 OCC(O)CCl BB_SC-06682 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C#CC(C)O BB_SC-06602 [1,0,0,0,0,0|0,0,3]=4 7 B4R0.1 C=C(C)C#N BB_SC-06810 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|0,0,0]=1 11 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|0,0,1]=2 18 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|0,0,1]=2 20 B4R0.1 CNC(N)=O BB_SC-07198 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 COC(=O)Cl BB_SC-07075 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 COC(N)=O BB_SC-06903 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 NC(=O)CCl BB_SC-06849 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C(O)CCl BB_SC-12338 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C(O)CI BB_SC-06475 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 CCN=C=S BB_SC-06545 [1,0,0,0,0,0|1,1,1]=4 35 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 C\C=C\C=O BB_SC-06898 [1,0,0,0,0,0|0,0,2]=3 40 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,1,0,0,0,0|0,1,1]=3 49 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,1,0,0,0,0|0,0,2]=3 53 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.8 CC(N)(CO)CO BB_SC-06454 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.9 COC(CCl)OC BB_SC-07093 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.9 COC(CN)OC BB_SC-06731 [0,1,0,0,0,0|2,0,1]=4 58 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|2,0,1]=4 59 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 61 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 O=CC=O BB_SC-07204 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|1,1,0]=4 71 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.1 CC(C)=CCO BB_NC-02261 [1,1,0,0,0,0|0,0,2]=4 76 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|0,0,0]=2 77 B5R0.1 CC(C)CCBr BB_SC-07141 [1,1,0,0,0,0|0,0,1]=3 78 B5R0.1 CC(C)CCI BB_SC-06842 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.1 CC(C)CCS BB_SC-06570 [1,1,0,0,0,0|0,0,1]=3 80 B5R0.1 CC(C)N=C=S BB_NC-02791 [1,1,0,0,0,0|0,1,1]=4 81 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,0,1]=3 82 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|0,0,1]=3 84 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 CN(C)CCCl BB_SC-07254 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.1 CN(C)CCN BB_SC-10968 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.1 CNCC(=O)O BB_NC-02298 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CNCC(N)=O BB_NC-02649 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|0,0,1]=3 92 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.1 NCCC(=O)O BB_SC-12000 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.4 C#CC(C)(C)O BB_SC-06658 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.4 CC(C)(C)NN BB_SC-11994 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.4 CC(C)(N)C#N BB_SC-06521 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|0,0,2]=4 102 B5R0.4 CC(C)(O)C#N BB_SC-06536 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.4 O=CC(Cl)(Cl)Cl BB_SC-10971 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,1,0,0,0,0|0,0,2]=4 105 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,1,0,0,0,0|0,0,2]=4 106 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,1,0,0,0,0|0,0,2]=4 109 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,1,0,0,0,0|0,0,0]=2 111 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,1,0,0,0,0|0,0,0]=2 112 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [1,1,0,0,0,0|1,1,0]=4 117 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [1,1,0,0,0,0|1,1,0]=4 118 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [1,1,0,0,0,0|2,0,0]=4 123 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.2 BrCCCCBr BB_SC-06730 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.2 CCCCC=O BB_NC-02285 [1,1,0,0,0,0|0,0,0]=2 126 B5R0.2 CCCCCN BB_SC-06799 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.2 CCNCCO BB_SC-07158 [1,1,0,0,0,0|0,0,2]=4 128 B5R0.2 CCOCCBr BB_SC-07261 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.2 CNCCC#N BB_SC-07065 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.2 CNCCCN BB_SC-07066 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.2 COCCCN BB_SC-06753 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.2 NCCCCN BB_NC-02221 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.2 O=C=NCCCl BB_SC-04063 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.12 CNCC(OC)OC BB_SC-05502 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.15 CCN(CC)C(=S)[S-] BB_SC-00418 [0,2,0,0,0,0|1,1,0]=4 141 B7R0.15 COC(OC)C(C)=O BB_SC-06949 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,2,0,0,0,0|1,0,0]=3 145 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.18 CCC(N)(CO)CO BB_SC-07123 [0,2,0,0,0,0|0,0,2]=4 148 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|1,0,1]=4 149 B5R1.3 C(=O)C1CC1 BB_SC-11514 [1,0,0,1,0,0|0,0,0]=2 150 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|0,0,1]=3 151 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,0,1]=4 152 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,0,1]=4 153 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,0,1]=4 154 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|1,0,1]=4 155 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|0,0,2]=4 156 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|0,1,1]=4 157 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,1,0,1,0,0|0,0,2]=4 158 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|0,0,0]=2 159 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.25 CC1(CO)COC1 BB_SC-05506 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,1,0,1,0,0|0,0,0]=2 170 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,1,0,1,0,0|1,0,0]=3