0 B4R0.1 C#CC(=O)O BB_SC-06516 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(C)O BB_SC-06602 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C=C(C)C#N BB_SC-06810 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)CCl BB_SC-12393 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC(=O)CO BB_SC-06929 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.1 CC(C)C=O BB_SC-11515 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.1 CC(C)CBr BB_SC-12386 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(C)CI BB_SC-06912 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(N)CN BB_SC-06623 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 CC(O)CCl BB_SC-06971 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.1 CC(O)CO BB_SC-07047 [0,0,0,0,0,0|0,0,4]=4 11 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CCC(C)=O BB_SC-06989 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 CCC(C)N BB_SC-06740 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CCC(C)O BB_SC-07031 [0,0,0,0,0,0|1,0,3]=4 15 B4R0.1 CNC(=N)N BB_SC-06585 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 CNC(N)=O BB_SC-07198 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 COC(=N)N BB_SC-07172 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 COC(=O)Cl BB_SC-07075 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 COC(N)=O BB_SC-06903 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CSC(=N)N BB_SC-07197 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 NC(=O)CCl BB_SC-06849 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 NC(=O)NO BB_SC-07256 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 NNC(N)=O BB_SC-07175 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 O=C(O)CCl BB_SC-12338 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 O=C(O)CI BB_SC-06475 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,0,0,0,0,0|1,0,3]=4 30 B3R0.1 C=CC#N BB_SC-05732 [1,0,0,0,0,0|1,0,2]=4 31 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|1,0,2]=4 32 B3R0.1 CN=C=S BB_SC-05863 [1,0,0,0,0,0|1,1,1]=4 33 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|1,0,0]=2 34 B3R0.1 O=CC=O BB_SC-07204 [1,0,0,0,0,0|0,0,0]=1 35 B3R0.2 CC(=N)N BB_SC-06819 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.2 CC(C)Br BB_SC-06848 [1,0,0,0,0,0|1,0,2]=4 37 B3R0.2 CC(C)I BB_SC-06934 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.2 NC(=S)[S-] BB_SC-11380 [1,0,0,0,0,0|1,2,0]=4 39 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.1 C=COC(C)=O BB_SC-12396 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,0,0,0,0|0,0,2]=3 42 B5R0.1 CC(C)=CCO BB_NC-02261 [0,1,0,0,0,0|1,0,1]=3 43 B5R0.1 CC(C)CC=O BB_NC-02289 [0,1,0,0,0,0|1,0,1]=3 44 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,0,0,0,0|0,1,1]=3 50 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|1,0,1]=3 63 B5R0.3 CNC(=O)NC BB_SC-07191 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.3 COC(=O)CN BB_NC-03070 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.3 COC(=O)CO BB_SC-06427 [0,1,0,0,0,0|0,0,2]=3 66 B5R0.3 COC(=O)CS BB_SC-06606 [0,1,0,0,0,0|0,1,1]=3 67 B5R0.3 COC(=O)NN BB_SC-07168 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.4 O=CC(Cl)(Cl)Cl BB_SC-10971 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,1,0,0,0,0|0,0,0]=1 74 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,1,0,0,0,0|0,0,0]=1 75 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,1,0,0,0,0|0,0,2]=3 80 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,1,0,0,0,0|0,1,1]=3 81 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [0,1,0,0,0,0|2,1,0]=4 83 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [0,1,0,0,0,0|2,1,0]=4 84 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,1,0,0,0,0|0,0,2]=3 86 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,1,0,0,0,0|2,0,1]=4 91 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,0,0,1,0,0|1,0,1]=3 92 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,1]=4 93 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|2,0,0]=4 94 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.2 CC=CCO BB_NC-02275 [1,1,0,0,0,0|0,0,1]=3 96 B4R0.2 C\C=C\C#N BB_SC-12445 [1,1,0,0,0,0|1,0,0]=3 97 B4R0.2 C\C=C\C=O BB_SC-06898 [1,1,0,0,0,0|0,0,0]=2 98 B4R0.3 NS(N)(=O)=O BB_SC-11516 [1,1,0,0,0,0|2,0,0]=4 99 B4R0.3 O=S(=O)(O)O BB_SC-06493 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,2,0,0,0,0|0,1,1]=4 104 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.1 COC(=O)CC#N BB_SC-06876 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.1 COC(=O)CCN BB_NC-01738 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.1 N#CCC(=O)NN BB_SC-07187 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,2,0,0,0,0|1,0,1]=4 112 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,2,0,0,0,0|0,1,0]=3 113 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,2,0,0,0,0|1,0,0]=3 114 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,2,0,0,0,0|1,0,1]=4 115 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,2,0,0,0,0|1,0,1]=4 116 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,2,0,0,0,0|0,0,2]=4 117 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,2,0,0,0,0|2,0,0]=4 118 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.3 NNC(=O)C(N)=O BB_SC-06266 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.7 CC(=O)C(F)(F)F BB_SC-06519 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [0,2,0,0,0,0|1,0,1]=4 136 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [0,2,0,0,0,0|1,0,1]=4 137 B6R1.2 CC1=CC=NN1 BB_SC-03908 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.2 CC1=NC=CN1 BB_SC-06891 [0,1,0,1,0,0|2,0,0]=4 139 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,1,0,1,0,0|1,0,1]=4 140 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,1,0,1,0,0|0,1,1]=4 141 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,1,0,0|2,0,0]=4 142 B6R1.2 O=C1OC=CO1 BB_SC-06550 [0,1,0,1,0,0|2,0,0]=4 143 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,1,0,1,0,0|2,0,0]=4 144 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,1,0,1,0,0|1,0,1]=4 145 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [0,1,0,1,0,0|1,0,1]=4 146 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [0,1,0,1,0,0|1,0,1]=4