0 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.1 C1=CCONC1 BB12-1719 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.2 CNC1CCCCC1 BB53-1677 [0,1,0,0,0,0|1,0,0]=2 5 B8R1.2 CNC1CCOCC1 BB53-1688 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.2 CNC1CCSCC1 BB53-1643 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.2 COC1CCCNC1 BB12-3161 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.2 COC1CCNCC1 BB12-3162 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 NCC1COCCO1 BB01-4608 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 OCC1CCCCC1 BB20-4574 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.2 OCC1CCCCN1 BB56-1322 [0,1,0,0,0,0|0,0,0]=1 12 B8R1.2 OCC1CCCOC1 BB12-1755 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.4 CC1CNCC(C)N1 BB20-4583 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.72 CC1(C)CCCNC1 BB12-1606 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 CC(CN)CCN BB12-1906 [0,0,1,0,0,0|3,0,0]=4 20 B6R0.1 CCNC(C)CO BB12-1659 [0,0,1,0,0,0|1,0,0]=2 21 B6R0.1 CC[C@H](N)COC BB20-3253 [0,0,1,0,0,0|3,0,0]=4 22 B6R0.1 CNC(=O)CCCl BB12-1619 [0,0,1,0,0,0|2,0,1]=4 23 B6R0.1 CNC(=O)CCN BB12-1715 [0,0,1,0,0,0|2,0,1]=4 24 B6R0.1 CNC(=O)CCO BB12-3660 [0,0,1,0,0,0|2,0,1]=4 25 B6R0.1 CNC(C)CCO BB12-1373 [0,0,1,0,0,0|1,0,0]=2 26 B6R0.4 C=CCNC(C)C BB12-1319 [0,0,1,0,0,0|0,0,2]=3 27 B6R0.4 CC(C)SCCCl BB53-1373 [0,0,1,0,0,0|2,0,0]=3 28 B6R0.4 CC(C)SCCN BB53-1544 [0,0,1,0,0,0|2,0,0]=3 29 B6R0.4 CC(C)SCCO BB53-1392 [0,0,1,0,0,0|2,0,0]=3 30 B6R0.4 CCNCC(C)O BB12-1676 [0,0,1,0,0,0|2,0,0]=3 31 B6R0.4 CSCCC(=N)N BB12-3715 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.6 CCCSCCN BB53-1582 [0,0,1,0,0,0|1,0,0]=2 33 B6R0.6 CCSCCNC BB12-0971 [0,0,1,0,0,0|2,0,0]=3 34 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [0,0,1,0,0,0|3,0,0]=4 35 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,0,1,0|3,0,0]=4 36 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,0,0,1|0,0,0]=1 38 B8R1.22 CC1CCCNCC1 BB12-1445 [0,0,0,0,0,1|1,0,0]=2 39 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,0,0,1|1,0,1]=3 40 B5R0.1 CNCC(C)O BB12-1288 [1,0,1,0,0,0|2,0,0]=4 41 B5R0.2 CCSCCN BB53-1545 [1,0,1,0,0,0|1,0,0]=3 42 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,0,1,0,0,0|0,0,2]=4 43 B5R0.3 CCC(C)NC BB53-1672 [1,0,1,0,0,0|0,0,0]=2 44 B5R0.3 CNC(C)CO BB12-1570 [1,0,1,0,0,0|1,0,0]=3 45 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [1,0,1,0,0,0|0,0,2]=4 46 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,1,0,0,0|1,0,1]=4 47 B7R0.2 CNC(C)CC(=O)O BB12-1285 [0,1,1,0,0,0|1,0,1]=4 48 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,1,0,0,0|1,0,1]=4 49 B7R0.3 CCN(C)CCCN BB12-1555 [0,1,1,0,0,0|2,0,0]=4 50 B7R0.3 CCN(C)CCCO BB12-3254 [0,1,1,0,0,0|2,0,0]=4 51 B7R0.3 CNCCC(=O)NC BB12-1428 [0,1,1,0,0,0|1,0,1]=4 52 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,1,1,0,0,0|1,0,0]=3 53 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,1,1,0,0,0|1,0,0]=3 54 B7R0.7 CCNC(C)CCO BB12-1398 [0,1,1,0,0,0|0,0,0]=2 55 B7R0.7 CNCC(O)COC BB17-0811 [0,1,1,0,0,0|2,0,0]=4 56 B7R0.10 CNC(=O)C(C)NC BB12-3606 [0,1,1,0,0,0|1,0,1]=4 57 B7R0.11 COC(C)(C)CCN BB12-2310 [0,1,1,0,0,0|2,0,0]=4 58 B7R0.12 CCOC(CC)CBr BB12-3730 [0,1,1,0,0,0|1,0,0]=3 59 B7R0.4 CC(=O)NCCCO BB12-3384 [0,1,1,0,0,0|1,0,1]=4 60 B7R0.4 CC(C)CCCCO BB12-2305 [0,1,1,0,0,0|1,0,0]=3 61 B7R0.6 CC(C)CNC(C)C BB12-1371 [0,1,1,0,0,0|0,0,0]=2 62 B7R0.1 CCCCOCCN BB53-1642 [0,1,1,0,0,0|0,0,0]=2 63 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,1,1,0,0,0|0,0,1]=3 64 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,0,1,0|0,0,0]=2 65 B7R1.1 ClCC1=NCCN1 BB12-2991 [0,1,0,0,1,0|1,0,1]=4 66 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,0,1,0|1,0,1]=4 67 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,1,0,0,0,1|2,0,0]=4 68 B9R1.89 CCC1CCCNCC1 BB12-1654 [0,1,0,0,0,1|1,0,0]=3 69 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [0,1,0,0,0,1|1,0,1]=4 70 B9R1.1 CC1=CCC(C=O)CC1 BB17-2241 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.1 CC1CCC(=NO)CC1 BB12-1451 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.1 CN1CCC(CBr)CC1 BB12-2881 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.1 CN1CCC(CCl)CC1 BB12-3115 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.1 CN1CCC(CO)CC1 BB12-1540 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.2 CCN1CCCC(N)C1 BB01-3841 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.2 CN1CCCC(CBr)C1 BB12-2882 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.6 CC(C)C1CCCCN1 BB56-1716 [0,2,0,0,0,0|0,0,0]=2 78 B9R1.8 CNCC1CCCCO1 BB12-3612 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.8 CNCC1CCCNC1 BB53-1684 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.8 CNCC1CCNCC1 BB53-1681 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.8 COCC1CCCCN1 BB56-0722 [0,2,0,0,0,0|0,0,0]=2 82 B9R1.8 COCC1CCCNC1 BB53-1686 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.8 CSCC1CCCCN1 BB56-1708 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.8 CSCC1CCCNC1 BB12-1129 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.8 CSCC1CCNCC1 BB12-1119 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.8 N#CCC1CCCOC1 BB12-1754 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.8 NCCC1CCCNC1 BB12-2059 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.15 CN1CCCCC1CBr BB12-3106 [0,2,0,0,0,0|0,0,0]=2 90 B9R1.15 CN1CCCCC1CN BB53-1653 [0,2,0,0,0,0|0,0,0]=2 91 B9R1.15 O=CC1CCCCC1=O BB12-3722 [0,2,0,0,0,0|1,0,1]=4 92 B9R1.118 O=NC1(Cl)CCCCC1 BB17-0159 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.40 ClC1OCCCC1(Cl)Cl BB12-2276 [0,2,0,0,0,0|2,0,0]=4 94 B7R1.6 CNCC1CCC1 BB12-1623 [0,0,1,1,0,0|2,0,0]=4 95 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,1,1,0,0|1,0,1]=4 96 B7R1.24 C1CNCCNC1 BB12-2760 [0,0,1,1,0,0|1,0,0]=3