0 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(=O)NCCCO BB12-3384 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(C)CCCCO BB12-2305 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCCSCC(=O)O BB12-3263 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CCSCCC(=O)O BB12-3270 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 NC(=O)CSCCO BB53-1357 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 [C-]#[N+]CCCN(C)C BB56-1193 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 CCNCC(C)O BB12-1676 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CSCCC(=N)N BB12-3715 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 C=CCCCC#N BB12-2224 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCSCCN BB53-1582 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.6 CCNCCC(=O)NN BB12-1383 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.21 CS(=O)(=O)NCCCN BB12-2137 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.1 CN1CCC(CBr)C1 BB12-3105 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 CN1CCC(CCl)C1 BB12-1681 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 CN1CCC(CN)C1 BB56-2350 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 CC1CNCC(C)N1 BB20-4583 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.7 CC(C)C1CCCN1 BB56-0522 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|1,0,1]=3 32 B8R1.22 CC1CCCNCC1 BB12-1445 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.72 CC1(C)CCCNC1 BB12-1606 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.72 O=S1(=O)CCNCC1 BB12-1778 [0,0,0,1,0,0|3,0,0]=4 36 B5R0.1 CCOC(C)=N BB12-3674 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.2 CCSCCN BB53-1545 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.3 CCC(=O)NCCN BB12-2323 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCCC(=O)NN BB12-2550 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.3 CNCCC(=O)NC BB12-1428 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.3 COCCC(=O)NN BB20-4502 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.6 C=C(C)COC(C)=O BB12-2984 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.1 CCCCOCCN BB53-1642 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [1,1,0,0,0,0|0,0,2]=4 55 B7R0.7 CNCC(O)COC BB17-0811 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.4 COCCN(C)CC(=O)O BB12-3659 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.34 COCC(C)NC(=O)CCl BB17-2020 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.5 CCNCCC(=O)OCC BB12-1650 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.5 N#CCC(=O)NCCCO BB17-1789 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.5 [C-]#[N+]CCCC(=O)OCC BB56-1524 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.46 CCCCCCC(=O)NN BB12-1542 [0,2,0,0,0,0|1,0,0]=3 62 B9R0.2 N=C(N)NCCCCCO BB56-0224 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.55 CC(=O)NCCNC(C)=O BB20-3038 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.7 CC(C)N(C)CCC(=O)O BB12-3651 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.64 CCS(=O)(=O)CCC(=O)O BB12-3368 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.24 C1CNCCNC1 BB12-2760 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.13 CC(C)CC1CCCN1 BB56-0309 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.13 CN(C)CC1CCCN1 BB56-1685 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|0,0,1]=3 80 B9R1.2 CCN1CCCC(N)C1 BB01-3841 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.2 CN1CCCC(CBr)C1 BB12-2882 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [0,1,0,1,0,0|0,0,0]=2 83 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [0,1,0,1,0,0|0,0,0]=2 84 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|0,0,0]=2 87 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.118 O=NC1(Cl)CCCCC1 BB17-0159 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.6 CC(C)=C1CCNCC1 BB12-2924 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.6 CC(C)C1CCCCN1 BB56-1716 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.10 O=S1(=O)CCC(O)CC1 BB53-1651 [0,1,0,1,0,0|2,0,0]=4