0 B8R1.2 BrCC1CCCCO1 F1909-1580 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 COC1CCCNC1 F2158-0941 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 COC1CCNCC1 F0001-1147 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.2 COC1CCNCC1 F2158-0858 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 FCC1CCCNC1 F2148-2174 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 N#CC1CCNCC1 F2189-0074 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 ON=C1CCCCC1 F1723-0300 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 IC1CCCCC1 F2190-0186 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.3 NC1CCOCC1 F0001-1086 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 CC(C)C1CCNCC1 F1905-0642 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.6 CC(C)C1CCNCC1 F8887-6914 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.6 CC(O)C1CCNCC1 F8880-7650 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.6 O=C(O)C1CCNCC1 F0001-1572 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.6 O=C(O)[C@H]1CCCNC1 F0001-2356 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.8 C#CCC1CCCCC1 F2147-2838 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.8 CCCC1CCCCN1 F8881-6048 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.8 COCC1CCNCC1 F2145-0240 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.8 NCCN1CCCCC1 F2187-2168 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.8 O=CCC1CCOCC1 F8888-1979 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.8 O=CNC1CCCCC1 F1984-0356 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.118 C#CC1(O)CCCCC1 F8883-8239 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.118 NCC1(O)CCCCC1 F2189-0867 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.1 C=CCCCCCCl F0001-2234 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.1 CCCCCCCC F0001-0244 [0,0,1,0,0,0|2,0,0]=3 24 B7R0.1 CCCCCCCN F9995-1631 [0,0,1,0,0,0|2,0,0]=3 25 B7R0.1 CCCCCCCO F0001-0245 [0,0,1,0,0,0|1,0,0]=2 26 B7R0.1 ClCCCCCCBr F0001-1706 [0,0,1,0,0,0|2,0,0]=3 27 B7R0.1 ICCCCCCI F0001-1700 [0,0,1,0,0,0|2,0,0]=3 28 B7R0.1 OCCCCCCO F0001-1701 [0,0,1,0,0,0|0,0,0]=1 29 B9R2.68 C1CC2COCC1N2 F2196-0008 [0,0,0,1,0,0|3,0,0]=4 30 B9R2.174 C1CC2(CCN1)CC2 F1905-0657 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 COC1CCNC1 F8881-0669 [0,0,0,0,1,0|3,0,0]=4 32 B6R0.6 CCCCCCC F1908-0180 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.6 CCNCCNC F2147-1525 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.6 CC\C=C\CCO F0001-2233 [1,0,1,0,0,0|0,0,2]=4 35 B6R0.6 OCCCCCO F0001-0238 [1,0,1,0,0,0|0,0,0]=2 36 B6R0.1 COC(C)CCO F0001-0848 [1,0,1,0,0,0|1,0,0]=3 37 B6R0.4 CC(C)NCCN F2187-0287 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.4 CCCCB(O)O F0001-1206 [1,0,1,0,0,0|1,0,0]=3 39 B6R1.1 C1CCOCC1 F0001-0499 [2,0,0,0,0,0|0,0,0]=2 40 B8R0.4 CCCCCCCCI F0001-1702 [0,1,1,0,0,0|2,0,0]=4 41 B8R0.6 CCCCOC(=O)CS F0001-0048 [0,1,1,0,0,0|0,1,1]=4 42 B8R0.7 NCCCCCC(=O)O F2191-0201 [0,1,1,0,0,0|1,0,1]=4 43 B8R0.11 CCCCC(CC)CBr F0001-0679 [0,1,1,0,0,0|2,0,0]=4 44 B8R0.25 CC(C)(CO)CCCN F1913-3077 [0,1,1,0,0,0|2,0,0]=4 45 B8R1.3 C[C@H]1CC[C@H](N)CC1 F0001-0986 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.4 CC1CCCC(C)N1 F2190-0336 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.4 NC1CCCC(O)C1 F2147-2237 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.5 CC1CCCNC1=O F1913-7611 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.72 CC1(C)CNCCO1 F2148-0112 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.72 CC1(C)COCCN1 F2148-0109 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.72 O=S1(=O)CCCCO1 F0001-0588 [1,1,0,0,0,0|1,0,1]=4 52 B8R1.1 CN1CCC(CO)C1 F2147-0775 [0,1,0,0,1,0|1,0,0]=3 53 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,1,0,0,1,0|1,0,1]=4 54 B8R1.7 O=C(O)C1CCNC1 F0001-1559 [0,1,0,0,1,0|1,0,1]=4 55 B8R1.8 COCC1CCNC1 F1907-0846 [0,1,0,0,1,0|1,0,0]=3 56 B8R1.8 NCCN1CCCC1 F2187-2176 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.11 CCC1CCCC1=O F8889-4518 [0,1,0,0,1,0|1,0,1]=4 58 B8R1.11 CN1CCCC1CO F8889-8364 [0,1,0,0,1,0|1,0,0]=3 59 B8R1.52 C#CC1(O)CCCC1 F8883-8235 [0,1,0,0,1,0|1,0,1]=4 60 B10R1.13 CC(C)C1CCC(N)CC1 F2147-1878 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.15 COC(=O)C1CCCCN1 F2158-0969 [0,2,0,0,0,0|1,0,1]=4 62 B10R1.4 C=CCC1CCCCC1=O F8882-7572 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.4 CCCC1CCCCC1=O F8882-5405 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.4 CCCC1CCCCC1O F8882-6262 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.17 CCCNC1CCCCC1 F3145-4054 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.17 COCCC1CCNCC1 F8882-2457 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.18 CN(C)CC1CNCCO1 F8881-2055 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.18 O=C(Cl)CC1CCCCC1 F2190-0022 [0,2,0,0,0,0|1,0,1]=4 69 B10R1.18 O=C(O)CC1CCCNC1 F8887-4005 [0,2,0,0,0,0|2,0,0]=4 70 B8R2.25 C1CC2OC2CO1 F8889-2237 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.2 CC1CCNC1 F8887-6193 [1,0,0,0,1,0|1,0,0]=3 72 B6R1.2 IC1CCCC1 F0001-0550 [1,0,0,0,1,0|1,0,0]=3 73 B6R1.6 NNC1CCC1 F2135-1119 [0,0,0,0,2,0|2,0,0]=4