0 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,0,0,0,0,0|0,0,0]=0 2 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 O=C1CNC(=S)N1 BB_SC-12671 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 O=C1CNC(=S)S1 BB_SC-06897 [0,0,0,0,0,0|2,1,1]=4 11 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 O=C1CSC(=S)N1 BB_SC-12361 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 NC1=NCCC1 BB_SC-10415 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 NC1=NCCS1 BB_SC-06601 [1,0,0,0,0,0|2,1,0]=4 15 B6R1.2 NC1CCCC1 BB_SC-12557 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 O=C1CCCC1 BB_SC-09627 [1,0,0,0,0,0|1,0,0]=2 17 B6R1.2 O=C1CCSC1 BB_SC-08806 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,0,0,0|1,0,0]=2 19 B6R1.2 O=C1OC=CO1 BB_SC-06550 [1,0,0,0,0,0|1,0,2]=4 20 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.2 S=C1NCCN1 BB_SC-06569 [1,0,0,0,0,0|2,1,0]=4 22 B6R1.2 SC1=NCCS1 BB_SC-06486 [1,0,0,0,0,0|1,2,0]=4 23 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [0,1,0,0,0,0|0,0,3]=4 24 B8R1.1 NC1=NCC(CI)S1 BB_SC-05934 [0,1,0,0,0,0|2,1,0]=4 25 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.50 O=C1CCC(=O)N1Br BB_SC-07072 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.50 O=C1CCC(=O)N1Cl BB_SC-07097 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.51 NC1CCS(=O)(=O)C1 BB_SC-01160 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.51 NC1CCS(=O)(=O)C1 BB_SC-12371 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.51 O=S1(=O)CCC(O)C1 BB_SC-01162 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,0,1,0,0,0|0,0,2]=3 33 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,0,1,0,0,0|1,1,1]=4 34 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,0,1,0,0,0|1,0,0]=2 35 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,0,1,0,0,0|1,0,0]=2 36 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,0,1,0,0,0|1,0,0]=2 37 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.1 COC(=O)CCN BB_NC-01738 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,1,0,0,0|1,0,1]=3 42 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,1,0,0,0|1,0,0]=2 43 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,1,0,0,0|2,0,0]=3 45 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,1,0,0,0|2,0,0]=3 46 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,0,1,0,0,0|1,1,0]=3 47 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,0,1,0,0,0|0,0,2]=3 50 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,0,1,0,0,0|2,0,0]=3 51 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,0,1,0,0,0|3,0,0]=4 52 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [0,0,1,0,0,0|1,0,0]=2 53 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,0,1,0,0,0|1,0,0]=2 54 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,0,1,0,0,0|0,0,2]=3 55 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,0,1,0,0,0|1,0,0]=2 56 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [0,0,1,0,0,0|2,0,0]=3 57 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,0,0,1|1,0,0]=2 58 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,0,0,1|1,0,0]=2 60 B8R1.4 CC1CNCC(C)O1 BB_SC-12705 [0,0,0,0,0,1|1,0,1]=3 61 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,0,0,1|2,0,1]=4 62 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,1,0,0,0|0,0,2]=4 63 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,1,0,0,0|2,0,0]=4 64 B5R0.1 CC(C)CC=O BB_NC-02289 [1,0,1,0,0,0|1,0,0]=3 65 B5R0.1 CC(C)CCBr BB_SC-07141 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.1 CC(C)CCI BB_SC-06842 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.1 CC(C)CCS BB_SC-06570 [1,0,1,0,0,0|1,1,0]=4 68 B5R0.1 CC(O)CCO BB_SC-11995 [1,0,1,0,0,0|0,0,1]=3 69 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,1,0,0,0|1,0,0]=3 70 B5R0.1 CCCC(C)O BB_SC-07025 [1,0,1,0,0,0|0,0,1]=3 71 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,0,1,0,0,0|1,0,1]=4 72 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,1,0,0,0|1,0,0]=3 73 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,1,0,0,0|1,0,0]=3 74 B5R0.1 CNCC(N)=O BB_NC-02649 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,1,0,0,0|2,0,0]=4 77 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,1,0,0,0|0,0,2]=4 78 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,0,1,0,0,0|1,0,1]=4 79 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.1 NCCC(=O)O BB_SC-12000 [1,0,1,0,0,0|1,0,0]=3 81 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,0,1,0,0,0|2,0,0]=4 82 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,0,1,0,0,0|2,0,0]=4 83 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,0,1,0,0,0|1,0,0]=3 84 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,0,1,0,0,0|1,0,0]=3 85 B5R0.2 CCCCC=O BB_NC-02285 [1,0,1,0,0,0|0,0,0]=2 86 B5R0.2 CCCCCN BB_SC-06799 [1,0,1,0,0,0|1,0,1]=4 87 B5R0.2 CCNCCO BB_SC-07158 [1,0,1,0,0,0|1,0,1]=4 88 B5R0.2 CCOCCBr BB_SC-07261 [1,0,1,0,0,0|1,0,1]=4 89 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,0,1,0,0,0|0,0,2]=4 90 B5R0.3 CCC(=O)CC BB_SC-06948 [1,0,1,0,0,0|0,0,0]=2 91 B5R0.3 CCC(=O)NO BB_SC-06499 [1,0,1,0,0,0|2,0,0]=4 92 B5R0.3 CNC(=O)NC BB_SC-07191 [1,0,1,0,0,0|2,0,0]=4 93 B5R0.3 COC(=O)CN BB_NC-03070 [1,0,1,0,0,0|1,0,0]=3 94 B5R0.3 COC(=O)CO BB_SC-06427 [1,0,1,0,0,0|1,0,0]=3 95 B5R0.3 COC(=O)CS BB_SC-06606 [1,0,1,0,0,0|1,0,0]=3 96 B5R0.3 COC(=O)NN BB_SC-07168 [1,0,1,0,0,0|2,0,0]=4 97 B5R0.3 O=C(CCl)CCl BB_SC-08807 [1,0,1,0,0,0|2,0,0]=4 98 B5R1.1 C1=COCC1 BB_SC-06597 [2,0,0,0,0,0|0,0,1]=3 99 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,1,1,0,0,0|2,0,0]=4 101 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,1,1,0,0,0|1,0,0]=3 102 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,1,1,0,0,0|2,0,0]=4 103 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,1,1,0,0,0|0,0,1]=3 104 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,1,1,0,0,0|1,0,1]=4 105 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,1,1,0,0,0|0,0,1]=3 106 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,1,1,0,0,0|1,0,0]=3 107 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,1,1,0,0,0|1,0,1]=4 108 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,1,1,0,0,0|0,0,0]=2 109 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,1,1,0,0,0|1,0,0]=3 110 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,1,1,0,0,0|0,0,1]=3 111 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,1,1,0,0,0|1,0,1]=4 113 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,1,1,0,0,0|0,0,1]=3 114 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,1,0,0,0|1,0,0]=3 115 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,1,0,0,0|2,0,0]=4 116 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,1,1,0,0,0|1,0,0]=3 117 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [0,1,1,0,0,0|1,0,0]=3 118 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,1,1,0,0,0|0,0,1]=3 119 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,1,1,0,0,0|0,0,0]=2 120 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,1,1,0,0,0|0,0,1]=3 121 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,1,1,0,0,0|0,0,2]=4 122 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,1,1,0,0,0|2,0,0]=4 123 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,1,1,0,0,0|1,0,0]=3 124 B7R1.1 BrCC1OCCO1 BB_SC-06594 [1,1,0,0,0,0|1,0,1]=4 125 B7R1.1 CNC1CCSC1 BB_SC-11874 [1,1,0,0,0,0|2,0,0]=4 126 B7R1.1 ClCC1OCCO1 BB_SC-06593 [1,1,0,0,0,0|1,0,1]=4 127 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [1,1,0,0,0,0|1,0,1]=4 128 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,1,0,0,0,0|0,0,0]=2 129 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,1,0,0,0,0|0,1,0]=3 130 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [1,1,0,0,0,0|2,0,0]=4 131 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,1,0,0,0,0|0,0,0]=2 132 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [1,1,0,0,0,0|1,0,0]=3 133 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.69 CC1CNC(=O)NC1=O BB_SC-01351 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,0,0,1|1,0,0]=3 137 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,0,0,1|1,0,1]=4 138 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,1,0,0,0,1|1,0,0]=3 139 B9R1.21 C1(OC)CCC(OC)O1 BB_SC-06749 [0,2,0,0,0,0|0,0,2]=4 140 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,2,0,0,0,0|1,0,1]=4 141 B9R1.133 CNC1CCS(=O)(=O)C1 BB_SC-01159 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.133 NCC1CCS(=O)(=O)C1 BB_SC-11686 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.38 CC1CC(C)S(=O)(=O)C1 BB_SC-06721 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.138 CC1(C)COC(=O)C1O BB_NC-00082 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.146 CC1(N)CCS(=O)(=O)C1 BB_SC-01469 [0,2,0,0,0,0|2,0,0]=4 146 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,0,1,1,0,0|1,0,1]=4 147 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,0,1,1,0,0|1,0,0]=3 148 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,0,1,1,0,0|2,0,0]=4 149 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,0,1,1,0,0|2,0,0]=4 150 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,0,1,1,0,0|2,0,0]=4 151 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,0,1,1,0,0|2,0,0]=4 152 B7R1.7 CCCCC1CO1 BB_SC-05509 [0,0,1,1,0,0|1,0,1]=4 153 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,0,1,1,0,0|0,0,0]=2 154 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,0,1,1,0,0|1,0,0]=3 155 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,1,0,1,0|1,0,1]=4 156 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,0,1,0,1,0|2,0,0]=4 157 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,1,0,1,0|1,0,0]=3 158 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,1,0,1,0|1,0,0]=3 159 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,0,1,0,1,0|2,0,0]=4 160 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,1,0,1,0|2,0,0]=4 161 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,1,0,1,0|2,0,0]=4 162 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,1,0,1,0|2,0,0]=4 163 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,1,0,1,0|2,0,0]=4 164 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,1,0,1,0|2,0,0]=4