0 B7R0.1 CCCCOCCN BB53-1642 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [1,0,0,0,0,0|1,0,1]=3 2 B9R0.2 N=C(N)NCCCCCO BB56-0224 [0,1,0,0,0,0|3,0,0]=4 3 B9R0.45 CCCCCC#CCCO BB12-2262 [0,1,0,0,0,0|0,0,3]=4 4 B9R0.46 CCCCCCC(=O)NN BB12-1542 [0,1,0,0,0,0|2,0,1]=4 5 B9R1.8 CNCC1CCCCO1 BB12-3612 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.8 CNCC1CCCNC1 BB53-1684 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.8 CNCC1CCNCC1 BB53-1681 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.8 COCC1CCCCN1 BB56-0722 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.8 COCC1CCCNC1 BB53-1686 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.8 CSCC1CCCCN1 BB56-1708 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.8 CSCC1CCCNC1 BB12-1129 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.8 CSCC1CCNCC1 BB12-1119 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.8 N#CCC1CCCOC1 BB12-1754 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 NCCC1CCCNC1 BB12-2059 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.12 CCCCC1CCCN1 BB56-0702 [0,0,0,1,0,0|1,0,1]=3 16 B9R1.12 CCCCC1CCNC1 BB56-1976 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.12 N#CCCN1CCCC1 BB12-1292 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.12 [C-]#[N+]CCN1CCCC1 BB56-1671 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.14 CCN1CCCC1CBr BB12-2883 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.14 CCN1CCCC1CO BB12-1536 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.15 CN1CCCCC1CBr BB12-3106 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.15 CN1CCCCC1CN BB53-1653 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.15 O=CC1CCCCC1=O BB12-3722 [0,0,0,1,0,0|1,0,1]=3 25 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,0,0,1,0,0|0,0,0]=1 26 B9R1.89 CCC1CCCNCC1 BB12-1654 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [0,0,0,1,0,0|2,0,0]=3 28 B6R0.6 CCCSCCN BB53-1582 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 CCSCCNC BB12-0971 [2,0,0,0,0,0|2,0,0]=4 30 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [0,2,0,0,0,0|0,0,0]=2 31 B10R0.78 COCCN(C)CCC(=O)O BB12-3622 [0,2,0,0,0,0|2,0,0]=4 32 B8R1.2 CNC1CCCCC1 BB53-1677 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.2 O=CC1CC=CCC1 BB01-8334 [1,0,0,1,0,0|0,0,2]=4 34 B8R1.2 OCC1CCCCC1 BB20-4574 [1,0,0,1,0,0|0,0,1]=3 35 B8R1.2 OCC1CCCCN1 BB56-1322 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.2 OCC1CCCOC1 BB12-1755 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.5 O=C1CCOCC1O BB17-2979 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.5 O=C1OCCCC1Br BB17-3008 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.8 CCCC1CCCN1 BB56-1742 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.8 CNCC1CCCC1 BB12-1620 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.8 COCC1CCCN1 BB56-0037 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.8 CSCC1CCCN1 BB56-0633 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.8 NCCC1CCCC1 BB12-2130 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.8 NCCC1CCCN1 BB20-3166 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.11 CCC1CCCC1=O BB12-2911 [1,0,0,1,0,0|0,0,0]=2 47 B8R1.11 CN1CCCC1CBr BB12-3093 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.11 CN1CCCC1CO BB12-1660 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.22 CC1CCCCCN1 BB12-3099 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.22 CC1CCCNCC1 BB12-1445 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.22 O=C1CCOCCN1 BB20-4217 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.18 CC(C)CC1CCCCN1 BB56-1686 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.18 NC(=O)CN1CCNCC1 BB12-1770 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [0,1,0,1,0,0|1,0,0]=3 55 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [0,1,0,1,0,0|1,0,0]=3 56 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.18 O=C(O)CN1CCOCC1 BB56-2894 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [0,1,0,1,0,0|1,0,0]=3 59 B10R1.61 NC(=O)C1CCCCC1=O BB12-2086 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.348 CC(C)C1CCCCCN1 BB56-1718 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.25 CC1=CCC(C=O)C(C)C1 BB17-2242 [0,1,0,1,0,0|0,0,2]=4 62 B10R1.85 CCCC1CCCCCN1 BB56-1743 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.85 NCCN1CCCCCC1 BB12-1387 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.17 CCCCC1CCCCN1 BB56-0666 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.17 CCOCC1CCCNC1 BB53-1687 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.17 NCCCC1CCCCC1 BB20-3102 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.20 CCN1CCCCC1CN BB12-1769 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.20 COC1COCCN1C=O BB12-2256 [0,1,0,1,0,0|2,0,0]=4 69 B10R2.7 C1=CCC2CNCC2C1 BB53-1652 [0,0,0,2,0,0|2,0,0]=4 70 B10R2.320 O=C1NC2CCCCC12 BB20-4250 [0,0,0,2,0,0|1,0,0]=3 71 B10R2.136 C1CC(C2CCCN2)C1 BB56-1842 [0,0,0,2,0,0|1,0,1]=4