0 B9R1.6 CC(C)=C1CCNCC1 BB12-2924 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(C)C1CCCCN1 BB56-1716 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.2 CNC1CCCCC1 BB53-1677 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 CNC1CCOCC1 BB53-1688 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 CNC1CCSCC1 BB53-1643 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 COC1CCCNC1 BB12-3161 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 COC1CCNCC1 BB12-3162 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 O=CC1CC=CCC1 BB01-8334 [1,0,0,0,0,0|0,0,2]=3 11 B8R1.2 OCC1CCCCC1 BB20-4574 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.2 OCC1CCCCN1 BB56-1322 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.2 OCC1CCCOC1 BB12-1755 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 ON=C1CCCCC1 BB12-1685 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(=O)N1CCC(O)CC1 BB12-3386 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.15 COC(=O)C1CCCCN1 BB12-2972 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.15 NNC(=O)C1CCCNC1 BB12-2759 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.15 NNC(=O)C1CCNCC1 BB12-2753 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.61 NC(=O)C1CCCCC1=O BB12-2086 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.61 O=C(O)C1CCCNC1=O BB12-1633 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.113 CC(=O)N1CCCC(N)C1 BB53-1618 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.363 CC1(C(=O)O)CCCCO1 BB12-2062 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.363 NC1(C(=O)O)CCCCC1 BB56-0254 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.363 O=C(O)C1(Cl)CCCCC1 BB17-2878 [0,1,0,0,0,0|0,0,0]=1 29 B10R1.363 O=C(O)C1(O)CCCCC1 BB12-2041 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,0,1,0,0,0|1,0,2]=4 31 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,0,1,0,0,0|1,0,0]=2 32 B10R2.320 O=C1NC2CCCCC12 BB20-4250 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,0,0,0,1,0|2,0,0]=3 34 B10R1.18 NC(=O)CN1CCNCC1 BB12-1770 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [0,0,0,0,0,1|1,0,0]=2 36 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [0,0,0,0,0,1|1,0,0]=2 37 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [0,0,0,0,0,1|1,0,0]=2 38 B10R1.18 O=C(O)CN1CCOCC1 BB56-2894 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.348 CC(C)C1CCCCCN1 BB56-1718 [0,0,0,0,0,1|2,0,1]=4 40 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|1,0,0]=3 43 B7R0.3 CCCCC(N)CO BB56-2048 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,1,0,0,0|1,0,0]=3 45 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,1,0,0,0|1,0,0]=3 46 B7R1.3 NC1CCCOC1 BB12-2177 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.3 OC1CCOCC1 BB12-1171 [2,0,0,0,0,0|1,0,0]=3 48 B7R1.3 OC1CCSCC1 BB53-1540 [2,0,0,0,0,0|1,0,0]=3 49 B9R0.4 COCCN(C)CC(=O)O BB12-3659 [0,1,1,0,0,0|2,0,0]=4 50 B9R0.46 CCCCCCC(=O)NN BB12-1542 [0,1,1,0,0,0|1,0,0]=3 51 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,1,0,0,0|2,0,0]=4 52 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,1,1,0,0,0|1,0,0]=3 53 B9R1.1 CC1=CCC(C=O)CC1 BB17-2241 [1,1,0,0,0,0|0,0,2]=4 54 B9R1.1 CC1CCC(=NO)CC1 BB12-1451 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.1 CN1CCC(CO)CC1 BB12-1540 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.8 COCC1CCCCN1 BB56-0722 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.8 COCC1CCCNC1 BB53-1686 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.15 O=CC1CCCCC1=O BB12-3722 [1,1,0,0,0,0|0,0,1]=3 60 B9R1.118 O=NC1(Cl)CCCCC1 BB17-0159 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [0,1,0,0,1,0|1,0,0]=3 62 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [0,1,0,0,1,0|0,0,0]=2 63 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [0,1,0,0,1,0|1,0,0]=3 64 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,1,0,0,1,0|1,0,1]=4 65 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,1,0,0,1,0|1,0,0]=3 66 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [0,1,0,0,1,0|1,0,0]=3 68 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [0,1,0,0,1,0|0,0,0]=2 69 B11R1.20 CC1CCN(CC(=O)O)CC1 BB56-2199 [0,1,0,0,0,1|1,0,0]=3 70 B11R1.20 NC(=O)CN1CCC(N)CC1 BB53-1289 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.20 NC1CCN(CC(=O)O)CC1 BB12-1759 [0,1,0,0,0,1|1,0,0]=3 72 B11R1.20 O=C(O)CN1CCC(O)CC1 BB12-3702 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.36 CC(C(=O)O)N1CCNCC1 BB12-2180 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.40 CNC(=O)CC1CCNCC1 BB53-1321 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.40 COC(=O)CN1CCOCC1 BB12-2252 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.40 NCC(=O)NC1CCCCC1 BB53-1341 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.40 NNC(=O)CC1CCNCC1 BB12-2460 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.157 O=C(O)CN1CCCC(O)C1 BB12-1741 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,1,0,0,0,1|0,0,1]=3 80 B11R1.3 CC(=O)N1CCC(CO)CC1 BB53-1384 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.3 CCN1CCC(C(N)=O)CC1 BB12-3001 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.22 CCC(=O)N1CCC(N)CC1 BB53-1531 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.16 N#CCC(=O)N1CCCCC1 BB12-1485 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.23 COC(=O)N1CCCC(O)C1 BB12-1763 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.878 CC1(C(=O)NN)CCCCO1 BB12-2160 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.878 COC(=O)C1(C)CCCCO1 BB12-2061 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.266 CC(=O)N1CCCC(CO)C1 BB53-1381 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,0,1,1,0,0|1,0,0]=3 89 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,0,1,1,0,0|1,0,0]=3 90 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,1,1,0,0|0,0,0]=2 91 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,1,1,0,0|1,0,0]=3 92 B11R2.1852 O=C(O)C1C2CCCCC21 BB56-0805 [0,0,0,1,0,1|0,0,0]=2 93 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,0,1,0|2,0,0]=4 94 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,0,0,2,0|1,0,0]=3 95 B9R1.89 CCC1CCCNCC1 BB12-1654 [1,0,0,0,0,1|1,0,1]=4 96 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [1,0,0,0,0,1|2,0,0]=4