0 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 CN(C)CCN(C)C BB_SC-09406 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(C)CN=C=S BB_NC-02792 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.4 CC(C)OCCCl BB_SC-03437 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.9 CC(C)OCC(O)CN BB_SC-00679 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(O)CC(O)C(C)C BB_SC-04747 [0,1,0,0,0,0|1,0,2]=4 23 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.35 CC(C)OCC1CO1 BB_SC-05524 [0,0,0,1,0,0|2,0,1]=4 26 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,0,0,1,0|0,0,2]=3 27 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,1,0|0,0,0]=1 28 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,0,0,1,0|1,0,2]=4 29 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,1,0|1,0,0]=2 30 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,1,0|1,0,0]=2 31 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,0,0,0,1,0|1,1,0]=3 32 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,1,0|2,0,0]=3 33 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,1,0|2,0,0]=3 34 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,0,0,0,1,0|2,1,0]=4 35 B6R0.2 CN(C)CN(C)C BB_SC-09410 [0,0,0,0,1,0|3,0,0]=4 36 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,1|1,0,1]=3 37 B8R0.28 CC(C)CCOC(=S)[S-] BB_SC-06496 [0,0,0,0,0,1|1,1,0]=3 38 B8R0.28 CC(C)CNCC(C)O BB_SC-01141 [0,0,0,0,0,1|1,0,2]=4 39 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,0,0,0,1|3,0,0]=4 40 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 C=COC(C)=O BB_SC-12396 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 CC(C)CC=O BB_NC-02289 [2,0,0,0,0,0|0,0,0]=2 44 B5R0.1 CC(C)CCBr BB_SC-07141 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CC(C)CCI BB_SC-06842 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CC(C)CCS BB_SC-06570 [2,0,0,0,0,0|0,1,1]=4 47 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.2 CCOCCBr BB_SC-07261 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.3 CCCCC(=O)NN BB_SC-00088 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,0,0,1,0|0,0,0]=2 73 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,0,0,1,0|1,0,1]=4 74 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,1,0|1,0,0]=3 75 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,1,0|2,0,0]=4 76 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,1,0,0,1,0|2,0,0]=4 77 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,1,0,0,0,1|1,0,0]=3 78 B9R0.7 C=C(C)C(=O)OCC(C)C BB_NC-00772 [0,1,0,0,0,1|1,0,0]=3 79 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,1,0,0,0,1|1,0,1]=4 80 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,2,0,0,0,0|1,0,0]=3 81 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.3 O=C1CCNCC1 BB_SC-06576 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 O=C1CCSCC1 BB_SC-06397 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 O=C1CNCCN1 BB_SC-04934 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.14 O=S1(=O)CCCO1 BB_SC-12403 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,0,0,1,0,1|1,0,0]=3 92 B9R1.85 CC(C)COCC1CO1 BB_SC-05609 [0,0,0,1,0,1|0,0,2]=4 93 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.138 CC1(C)COC(=O)C1O BB_NC-00082 [0,1,0,1,0,0|0,0,0]=2 95 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,2,0|1,0,1]=4 96 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,0,0,0,2,0|2,0,0]=4 97 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,2,0|1,0,0]=3 98 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,2,0|1,0,0]=3 99 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,0,0,0,2,0|2,0,0]=4 100 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,0,0,2,0|2,0,0]=4 101 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,2,0|2,0,0]=4 102 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,0,0,2,0|2,0,0]=4 103 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,0,0,2,0|2,0,0]=4 104 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,2,0|2,0,0]=4