0 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,0,0|0,1,0]=1 11 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [0,0,0,0,0,0|3,1,0]=4 13 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [0,0,0,0,0,0|2,2,0]=4 14 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,0,0|0,0,0]=0 16 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 C#CC(=O)O BB_SC-06516 [1,0,0,0,0,0|0,0,2]=3 22 B4R0.1 C#CC(C)O BB_SC-06602 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|0,0,1]=2 31 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CNC(=N)N BB_SC-06585 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CNC(N)=O BB_SC-07198 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 COC(=N)N BB_SC-07172 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 COC(=O)Cl BB_SC-07075 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 COC(N)=O BB_SC-06903 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CSC(=N)N BB_SC-07197 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 NC(=O)CCl BB_SC-06849 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 NC(=O)NO BB_SC-07256 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 NNC(N)=O BB_SC-07175 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 O=C(O)CCl BB_SC-12338 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 O=C(O)CI BB_SC-06475 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,1,0,0,0,0|0,0,2]=3 54 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.7 CC(=O)C(F)(F)F BB_SC-06519 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.7 CC(C)S(=O)(=O)Cl BB_SC-06555 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.7 NC(=O)C(F)(F)F BB_SC-06624 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.7 O=C(O)C(Cl)(Cl)Cl BB_SC-06768 [0,1,0,0,0,0|2,0,0]=3 64 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [0,0,0,1,0,0|1,0,0]=2 67 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,0,0,0,1|2,0,1]=4 68 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,0,1|2,0,0]=3 69 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,0,0,0,1|2,0,1]=4 70 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,0,1|2,0,0]=3 71 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,0,1|1,0,0]=2 72 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,0,0,0,0,1|1,2,0]=4 73 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,0,1|0,0,0]=1 74 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,0,1|2,0,0]=3 75 B3R0.1 C#CCO BB_SC-06540 [2,0,0,0,0,0|1,0,1]=4 76 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.1 O=CC=O BB_SC-07204 [2,0,0,0,0,0|0,0,2]=4 79 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,1]=4 80 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,1]=4 81 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,1]=4 82 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,1]=4 83 B3R0.2 CC(=N)N BB_SC-06819 [2,0,0,0,0,0|2,0,0]=4 84 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,1]=4 85 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 CC(C)=CCO BB_NC-02261 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,0,1]=3 91 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.1 CNCC(=O)O BB_NC-02298 [1,1,0,0,0,0|0,0,0]=2 96 B5R0.1 CNCC(N)=O BB_NC-02649 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,1,0,0,0,0|0,0,1]=3 101 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,1,0,0,0,0|0,0,1]=3 102 B5R0.1 N#CCC(N)=O BB_SC-06719 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.1 NCCC(=O)O BB_SC-12000 [1,1,0,0,0,0|0,0,0]=2 105 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,1,0,0,0,0|0,0,0]=2 108 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,1,0,0,0,0|0,0,0]=2 109 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,1,0,0,0,0|0,0,2]=4 110 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.3 CCC(=O)NO BB_SC-06499 [1,1,0,0,0,0|0,0,0]=2 112 B5R0.3 CCC(N)CO BB_SC-06587 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.3 CNC(=O)NC BB_SC-07191 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.3 COC(=O)CN BB_NC-03070 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.3 COC(=O)CO BB_SC-06427 [1,1,0,0,0,0|0,0,0]=2 116 B5R0.3 COC(=O)CS BB_SC-06606 [1,1,0,0,0,0|0,1,0]=3 117 B5R0.3 COC(=O)NN BB_SC-07168 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.3 NCC(O)CN BB_SC-06694 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.3 O=C(CCl)CCl BB_SC-08807 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.3 OCC(O)CCl BB_SC-06682 [1,1,0,0,0,0|0,0,1]=3 121 B5R0.4 C#CC(C)(C)O BB_SC-06658 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.4 CC(C)(O)C#N BB_SC-06536 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.4 NCS(=O)(=O)O BB_SC-09402 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.4 O=CC(Cl)(Cl)Cl BB_SC-10971 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,1,0,0,0,1|2,0,0]=4 127 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,1,0,0,0,1|0,0,2]=4 128 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,1,0,0,0,1|1,0,0]=3 129 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,1,0,0,0,1|1,0,1]=4 130 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,0,0,0,1|1,0,0]=3 131 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,1,0,0,0,1|1,0,1]=4 132 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,0,1|1,0,0]=3 133 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,0,1|0,0,0]=2 134 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,1,0,0,0,1|0,0,0]=2 135 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,2,0,0,0,0|0,0,0]=2 139 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [0,2,0,0,0,0|0,0,2]=4 140 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.15 COC(OC)C(C)=O BB_SC-06949 [0,2,0,0,0,0|1,0,0]=3 142 B5R1.3 C(=O)C1CC1 BB_SC-11514 [1,0,0,1,0,0|1,0,0]=3 143 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|1,0,1]=4 144 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|1,0,1]=4 145 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|1,0,1]=4 146 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [0,0,0,1,0,1|1,0,1]=4 148 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,0,0,1,0,1|2,0,0]=4 149 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,0,0,1,0,1|1,0,0]=3 150 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,0,0,1,0,1|0,0,1]=3 151 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,1,0,1,0,0|1,1,0]=4 153 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|0,0,2]=4 156 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.22 C\C(=N/O)C1CC1 BB_SC-00309 [0,1,0,1,0,0|2,0,0]=4 159 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,0,2|2,0,0]=4 160 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,2|0,0,2]=4 161 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,0,2|2,0,0]=4 162 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,2|1,0,0]=3 163 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,0,0,0,0,2|1,0,1]=4