0 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(C)CCOC(=S)[S-] BB_SC-06496 [0,0,0,0,0,0|1,2,0]=3 2 B8R0.28 CC(C)CNCC(C)O BB_SC-01141 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(O)CNCC(C)O BB_SC-07219 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.7 CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.85 CC(C)COCC1CO1 BB_SC-05609 [0,0,0,1,0,0|2,0,1]=4 17 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,1,0|1,0,2]=4 18 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,1,0|1,0,1]=3 19 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,1,0|2,0,0]=3 21 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,1,0|1,0,0]=2 22 B9R0.55 O=C(O)CCCCC(=O)O BB_SC-07132 [0,0,0,0,0,1|2,0,1]=4 23 B6R0.4 C=CCCC(=O)O BB_NC-02314 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.4 CC(=O)CCCCl BB_SC-07709 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CC(C)OCCCl BB_SC-03437 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 CCCCC(C)=O BB_SC-06917 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [2,0,0,0,0,0|0,0,2]=4 29 B6R0.4 CN(C)CCCCl BB_SC-05456 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CN(C)CCCN BB_SC-06473 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CN(C)CCCO BB_SC-06804 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.6 CCCCCCBr BB_SC-06675 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.6 CCCCCCI BB_SC-07033 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.6 CCCCCCN BB_SC-05552 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.6 CCCCN=C=O BB_SC-06541 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.6 CCCCOC=O BB_SC-07045 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.5 C\C(=C\C=O)CC(C)C BB_NC-01302 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [1,1,0,0,0,0|1,0,0]=3 42 B8R0.7 CC(C)CNCCCO BB_SC-01146 [1,1,0,0,0,0|0,0,1]=3 43 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.7 O=C(O)CCCCCBr BB_SC-07210 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [1,1,0,0,0,0|0,0,0]=2 46 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [1,1,0,0,0,0|0,0,0]=2 47 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,1,0,0,1,0|1,0,0]=3 49 B8R0.23 CC(O)CC(O)C(C)C BB_SC-04747 [0,1,0,0,1,0|1,0,1]=4 50 B10R0.98 CC(C)C(=O)NCCC(=O)O BB_NC-02361 [0,1,0,0,0,1|0,0,1]=3 51 B10R0.3 CCOC(=O)CCCC(C)=O BB_SC-05486 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.59 COC(=O)CCCC(=O)OC BB_SC-07153 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.60 CCC(C)CCCC(C)(C)O BB_NC-01292 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.82 COC(=O)CC[C@H](N)C(=O)O BB_NC-02940 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C BB_SC-07016 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [1,0,0,1,0,0|0,0,0]=2 58 B8R1.4 CN1CCCC(O)C1 BB_SC-02158 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [1,0,0,1,0,0|0,0,0]=2 67 B8R1.35 CC(C)OCC1CO1 BB_SC-05524 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,1,1,0|1,0,0]=3 69 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,1,1,0|1,0,1]=4 70 B10R1.113 NC1CCCC(C(=O)O)C1 BB_SC-02645 [0,0,0,1,0,1|1,0,0]=3 71 B10R1.13 CC(C)N1CCC(=O)CC1 BB_SC-06442 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.58 CN1CC(C(=O)O)CC1=O BB_SC-09463 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BB_SC-06164 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.329 CC1(C)CC(=O)CC(=O)C1 BB_SC-06488 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.329 CC1(C)OC(=O)CC(=O)O1 BB_SC-12616 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.329 CC1CC(=O)CC(C)(C)C1 BB_SC-06801 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.329 CC1CC(O)CC(C)(C)C1 BB_NC-00083 [0,1,0,1,0,0|1,0,1]=4 78 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,2,0|1,0,0]=3 79 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,2,0|1,0,0]=3 80 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,2,0|0,0,0]=2 81 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,2,0|1,0,0]=3 82 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,2,0|1,0,0]=3