0 B4R0.2 BrCCCBr BB_SC-06684 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CC=CCO BB_NC-02275 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 CCCCCl BB_SC-07054 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCCI BB_SC-06943 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CCCCN BB_SC-06761 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 CCN=C=S BB_SC-06545 [0,0,0,0,0,0|1,1,1]=3 6 B4R0.2 CNCCN BB_NC-02991 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 CNCCO BB_SC-06928 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 COCCBr BB_SC-07068 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 COCCCl BB_SC-07014 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C\C=C\C#N BB_SC-12445 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C\C=C\C=O BB_SC-06898 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.2 N#CCCBr BB_SC-09411 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 N#CCCO BB_SC-02742 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 N#CSCCl BB_SC-05540 [0,0,0,0,0,0|2,1,1]=4 15 B4R0.2 NCCCBr BB_SC-06502 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 NCCCCl BB_SC-07208 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 NCCCN BB_NC-02306 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 NNCCO BB_SC-09930 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.2 OCCCBr BB_SC-07264 [0,0,0,0,0,0|2,0,2]=4 20 B3R0.1 BrCCBr BB_SC-07189 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.1 C#CCN BB_SC-08803 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 C#CCO BB_SC-06540 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 C=CC#N BB_SC-05732 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|1,0,1]=3 25 B3R0.1 CN=C=S BB_SC-05863 [1,0,0,0,0,0|1,1,1]=4 26 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 ClCCBr BB_SC-06512 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 N#CCCl BB_SC-10991 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 N#CCN BB_SC-06479 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 NCCBr BB_SC-12695 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 NCCCl BB_SC-07224 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 O=CC=O BB_SC-07204 [1,0,0,0,0,0|1,0,1]=3 33 B3R0.1 OCCBr BB_SC-07017 [1,0,0,0,0,0|1,0,2]=4 34 B3R0.1 OCCCl BB_SC-07062 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.1 OCCF BB_SC-00430 [1,0,0,0,0,0|1,0,2]=4 36 B3R0.1 OCCI BB_SC-04664 [1,0,0,0,0,0|1,0,2]=4 37 B3R0.1 SCCS BB_SC-06621 [1,0,0,0,0,0|1,1,1]=4 38 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.1 C=COC(C)=O BB_SC-12396 [0,1,0,0,0,0|0,0,2]=3 40 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.1 CC(C)=CCO BB_NC-02261 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 CC(C)CC=O BB_NC-02289 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.1 CC(C)CCBr BB_SC-07141 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 CC(C)CCI BB_SC-06842 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(C)CCS BB_SC-06570 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,1,0,0,0,0|1,1,1]=4 47 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.1 CCCC(C)O BB_SC-07025 [0,1,0,0,0,0|1,0,2]=4 50 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,1,0,0,0,0|0,0,0]=1 52 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,1,0,0,0,0|1,0,1]=3 57 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,1,0,0,0,0|1,0,1]=3 58 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.2 BrCCCCBr BB_SC-06730 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.2 CCCCC=O BB_NC-02285 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.2 CCCCCN BB_SC-06799 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.2 CCNCCO BB_SC-07158 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.2 CCOCCBr BB_SC-07261 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.2 CNCCC#N BB_SC-07065 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.2 CNCCCN BB_SC-07066 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.2 COCCCN BB_SC-06753 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.2 NCCCCN BB_NC-02221 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.2 O=C=NCCCl BB_SC-04063 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,0,0,0,0|1,0,2]=4 80 B5R1.1 C1=COCC1 BB_SC-06597 [0,0,0,1,0,0|1,0,0]=2 81 B5R1.1 C1=CON=C1 BB_SC-08801 [0,0,0,1,0,0|2,0,1]=4 82 B5R1.3 BrCC1CC1 BB_SC-04711 [0,0,0,1,0,0|2,0,1]=4 83 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,0,0,1,0,0|1,0,0]=2 84 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,0,1,0,0|1,0,2]=4 85 B5R1.3 NCC1CC1 BB_SC-04639 [0,0,0,1,0,0|2,0,1]=4 86 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,0]=3 87 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|2,0,0]=4 88 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|1,0,0]=3 89 B2R0.1 ICI BB_SC-06852 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 C#CC(=O)O BB_SC-06516 [1,1,0,0,0,0|0,0,2]=4 91 B4R0.1 C#CC(C)O BB_SC-06602 [1,1,0,0,0,0|1,0,1]=4 92 B4R0.1 CC(=O)CCl BB_SC-12393 [1,1,0,0,0,0|1,0,0]=3 93 B4R0.1 CC(=O)CO BB_SC-06929 [1,1,0,0,0,0|1,0,0]=3 94 B4R0.1 CC(C)C=O BB_SC-11515 [1,1,0,0,0,0|0,0,0]=2 95 B4R0.1 CC(C)CBr BB_SC-12386 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.1 CC(C)CI BB_SC-06912 [1,1,0,0,0,0|1,0,1]=4 97 B4R0.1 CC(N)CN BB_SC-06623 [1,1,0,0,0,0|1,0,1]=4 98 B4R0.1 CC(O)CCl BB_SC-06971 [1,1,0,0,0,0|1,0,1]=4 99 B4R0.1 CC(O)CO BB_SC-07047 [1,1,0,0,0,0|0,0,2]=4 100 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,1,0,0,0,0|0,0,0]=2 101 B4R0.1 CCC(C)=O BB_SC-06989 [1,1,0,0,0,0|0,0,0]=2 102 B4R0.1 CCC(C)N BB_SC-06740 [1,1,0,0,0,0|1,0,1]=4 103 B4R0.1 CCC(C)O BB_SC-07031 [1,1,0,0,0,0|0,0,2]=4 104 B4R0.1 CNC(=N)N BB_SC-06585 [1,1,0,0,0,0|2,0,0]=4 105 B4R0.1 CNC(N)=O BB_SC-07198 [1,1,0,0,0,0|1,0,0]=3 106 B4R0.1 COC(=N)N BB_SC-07172 [1,1,0,0,0,0|1,0,0]=3 107 B4R0.1 COC(=O)Cl BB_SC-07075 [1,1,0,0,0,0|0,0,0]=2 108 B4R0.1 COC(N)=O BB_SC-06903 [1,1,0,0,0,0|0,0,0]=2 109 B4R0.1 CSC(=N)N BB_SC-07197 [1,1,0,0,0,0|1,1,0]=4 110 B4R0.1 NC(=O)CCl BB_SC-06849 [1,1,0,0,0,0|1,0,0]=3 111 B4R0.1 NC(=O)NO BB_SC-07256 [1,1,0,0,0,0|2,0,0]=4 112 B4R0.1 NNC(N)=O BB_SC-07175 [1,1,0,0,0,0|2,0,0]=4 113 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,1,0,0,0,0|1,0,0]=3 114 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,1,0,0,0,0|1,0,0]=3 115 B4R0.1 O=C(O)CCl BB_SC-12338 [1,1,0,0,0,0|1,0,0]=3 116 B4R0.1 O=C(O)CI BB_SC-06475 [1,1,0,0,0,0|1,0,0]=3 117 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,2,0,0,0,0|0,0,0]=2 119 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,2,0,0,0,0|0,0,0]=2 120 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,2,0,0,0,0|0,0,0]=2 121 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,2,0,0,0,0|0,0,0]=2 123 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,2,0,0,0,0|2,0,0]=4 125 B6R0.1 COC(=O)CCN BB_NC-01738 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,2,0,0,0,0|0,1,0]=3 132 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,2,0,0,0,0|2,0,0]=4 136 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,2,0,0,0,0|1,0,1]=4 137 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,2,0,0,0,0|2,0,0]=4 138 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,2,0,0,0,0|0,0,1]=3 140 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,2,0,0,0,0|0,0,1]=3 143 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,2,0,0,0,0|1,0,1]=4 146 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,2,0,0,0,0|1,0,0]=3 147 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,2,0,0,0,0|1,0,0]=3 148 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,2,0,0,0,0|1,0,0]=3 150 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,2,0,0,0,0|1,0,0]=3 151 B6R0.5 CCCS(=O)(=O)Cl BB_SC-09421 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.6 CCCCN=C=O BB_SC-06541 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.6 CCCCOC=O BB_SC-07045 [0,2,0,0,0,0|0,0,0]=2 154 B6R0.6 CCOCCCN BB_SC-06885 [0,2,0,0,0,0|1,0,1]=4 155 B6R0.6 NCCOCCO BB_SC-07134 [0,2,0,0,0,0|0,0,2]=4 156 B4R1.2 NC1CC1 BB_SC-07203 [1,0,0,1,0,0|1,0,1]=4 157 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,1,0,1,0,0|2,0,0]=4 158 B6R1.2 NC1=NCCS1 BB_SC-06601 [0,1,0,1,0,0|1,1,0]=4 159 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,1,0,1,0,0|0,1,0]=3 161 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,1,0,0|0,0,0]=2 162 B6R1.2 O=C1OC=CO1 BB_SC-06550 [0,1,0,1,0,0|0,0,2]=4 163 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,1,0,1,0,0|0,0,0]=2 164 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,1,0,1,0,0|1,1,0]=4 165 B6R1.2 SC1=NCCS1 BB_SC-06486 [0,1,0,1,0,0|0,2,0]=4 166 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,1,0,1,0,0|1,0,0]=3 167 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [0,1,0,1,0,0|1,0,0]=3 168 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [0,1,0,1,0,0|1,0,0]=3 169 B6R1.1 C1=COCCC1 BB_SC-07074 [0,1,0,1,0,0|1,0,0]=3 170 B6R1.1 C1OCOCO1 BB_SC-06816 [0,1,0,1,0,0|0,0,2]=4