0 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,0,0,0,0,0|1,1,1]=3 2 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C=C(C)CCO BB_NC-02269 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 CC(C)=CCO BB_NC-02261 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(C)CCBr BB_SC-07141 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(C)CCI BB_SC-06842 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(C)CCS BB_SC-06570 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CC(O)CCO BB_SC-11995 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CCCC(C)O BB_SC-07025 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CN(C)CCCl BB_SC-07254 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CN(C)CCN BB_SC-10968 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CNCC(N)=O BB_NC-02649 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 N#CCC(N)=O BB_SC-06719 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 NCCC(=O)O BB_SC-12000 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CCC(=O)CC BB_SC-06948 [1,0,0,0,0,0|0,1,2]=4 34 B5R0.3 CCC(N)CO BB_SC-06587 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,0,0,0,0,0|1,1,1]=4 39 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,0,0,0,0,0|0,1,1]=3 40 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,0,0,0,0,0|1,1,0]=3 45 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,0,0,0,0,0|1,1,0]=3 49 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,1,0,0,0,0|1,1,1]=4 53 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,1,0,0,0,0|1,1,1]=4 54 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,1,0,0,0,0|0,1,1]=3 55 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,1,0,0,0,0|1,1,1]=4 56 B7R0.10 CNC(=O)C(=O)NC BB_SC-00324 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.15 COC(OC)C(C)=O BB_SC-06949 [0,1,0,0,0,0|1,1,0]=3 60 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,0,0,1,0,0|3,0,0]=4 70 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,0,0,0,0,1|1,1,1]=4 71 B4R0.1 CC(=O)CCl BB_SC-12393 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|0,1,0]=3 73 B4R0.1 CC(C)C=O BB_SC-11515 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 CC(C)CBr BB_SC-12386 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 CC(C)CI BB_SC-06912 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 CC(N)CN BB_SC-06623 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 CC(O)CCl BB_SC-06971 [2,0,0,0,0,0|1,1,0]=4 78 B4R0.1 CC(O)CO BB_SC-07047 [2,0,0,0,0,0|1,1,0]=4 79 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|0,0,0]=2 81 B4R0.1 CCC(C)N BB_SC-06740 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 CCC(C)O BB_SC-07031 [2,0,0,0,0,0|0,1,0]=3 83 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 NC(=O)CCl BB_SC-06849 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 O=C(Br)CBr BB_SC-06823 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 O=C(Cl)CCl BB_SC-06733 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 O=C(O)CCl BB_SC-12338 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 O=C(O)CI BB_SC-06475 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [2,0,0,0,0,0|1,1,0]=4 92 B4R0.2 CC=CCO BB_NC-02275 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 CCCCCl BB_SC-07054 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.2 CCCCI BB_SC-06943 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.2 CCCCN BB_SC-06761 [2,0,0,0,0,0|1,0,1]=4 96 B4R0.2 CNCCN BB_NC-02991 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 CNCCO BB_SC-06928 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.2 COCCBr BB_SC-07068 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.2 COCCCl BB_SC-07014 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 C\C=C\C=O BB_SC-06898 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,1,0,0,0,0|1,0,0]=3 105 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.1 COC(=O)CCN BB_NC-01738 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [1,1,0,0,0,0|0,0,2]=4 111 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,1,0,0,0,0|0,0,0]=2 112 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [1,1,0,0,0,0|1,0,0]=3 113 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,1,0,0,0,0|0,0,0]=2 118 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,1,0,0,0,0|0,0,0]=2 121 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.4 CN(C)CCCCl BB_SC-05456 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.4 CN(C)CCCN BB_SC-06473 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.4 CN(C)CCCO BB_SC-06804 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.5 CCCS(=O)(=O)Cl BB_SC-09421 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.7 CC(=O)C(F)(F)F BB_SC-06519 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BB_NC-02400 [0,1,0,0,0,1|2,0,0]=4 132 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,1|0,1,1]=4 133 B8R0.16 COC(CC(C)=O)OC BB_SC-06952 [0,1,0,0,0,1|1,1,0]=4 134 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,1,0,0,0,1|1,0,0]=3 135 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [0,2,0,0,0,0|2,0,0]=4 142 B8R0.18 CCC(C(=O)O)C(=O)O BB_SC-06625 [0,2,0,0,0,0|1,1,0]=4 143 B6R1.2 NC1=NCCC1 BB_SC-10415 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.2 NC1CCCC1 BB_SC-12557 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.2 O=C1CCCC1 BB_SC-09627 [1,0,0,1,0,0|0,0,0]=2 146 B6R1.2 O=C1CCSC1 BB_SC-08806 [1,0,0,1,0,0|1,0,0]=3 147 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [1,0,0,1,0,0|0,0,0]=2 150 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [1,0,0,1,0,0|1,0,0]=3 151 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,1|1,0,0]=3 153 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,1|0,1,1]=4 154 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [0,1,0,1,0,0|1,1,0]=4 158 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,1,0,0|0,1,1]=4