0 B7R0.4 C=CCCCC(=O)O F1913-3310 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CCCCCB(O)O F0001-1263 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CCCCCC(=O)Cl F0001-0498 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CCCCCC(C)N F0001-0370 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.4 CN(C)CCCCN F2187-2324 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.4 CNCCNC(C)C F2147-1526 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 COCCNC(C)C F1911-1783 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 C#CCCC(=O)O F1913-1832 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 CCCCB(O)O F0001-1206 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CNCCN(C)C F0001-0495 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CSCCC(C)=O F0001-0996 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 N#CCCC(=O)O F8884-9159 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 NC(=O)NCCO F1019-0075 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 CCCCCCC F1908-0180 [1,0,0,0,0,0|0,0,1]=2 14 B6R0.6 CCCCN=C=S F1915-0013 [1,0,0,0,0,0|1,1,1]=4 15 B6R0.6 CCNCCNC F2147-1525 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 OCCCCCO F0001-0238 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.5 CCOC(=O)CC(=O)Cl F0001-1038 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.6 CCCCOC(=O)CS F0001-0048 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.7 NCCCCCC(=O)O F2191-0201 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.9 COC(=O)CCC(=O)O F1107-0326 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.1 CN1CCC(CO)C1 F2147-0775 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 CC1CCCC(C)N1 F2190-0336 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.4 NC1CCCC(O)C1 F2147-2237 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.7 O=C(O)C1CCNC1 F0001-1559 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.22 O=C1CCNCCN1 F2158-1556 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.22 O=C1CCNCCN1 F8880-3444 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.22 O=C1CCOCCN1 F8881-7824 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.22 O=C1CCSCCN1 F2147-1376 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.34 O=C(O)CC1CCC1 F8889-2823 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.35 CC(C)CNC1CC1 F1911-1758 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.72 O=S1(=O)CCCCO1 F0001-0588 [0,0,0,1,0,0|3,0,0]=4 33 B5R0.2 CCCCC#N F0001-0220 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.2 CCCCC=O F2190-0583 [2,0,0,0,0,0|0,0,0]=2 35 B5R0.2 CCCCCO F0001-1831 [2,0,0,0,0,0|0,0,1]=3 36 B5R0.2 CCCCNN F2169-0384 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.2 CCOCCCl F0001-1693 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.2 CCSCCN F2147-1017 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 CNCCOC F0001-1089 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 ICCCCI F0001-1692 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.2 CCC(=O)CC(C)=O F8880-5203 [1,1,0,0,0,0|0,0,1]=3 42 B7R0.2 CNC(=O)CC(C)=O F0001-0716 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.2 COC(=O)CC(C)=O F0001-0105 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.5 NC(CCO)C(=O)O F2127-0018 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.6 CC(C)SCC(=O)O F3249-0157 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.1 C=CCCCCCCl F0001-2234 [1,1,0,0,0,0|0,0,1]=3 47 B7R0.1 CCCCCCCC F0001-0244 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.1 CCCCCCCN F9995-1631 [1,1,0,0,0,0|0,0,1]=3 49 B7R0.1 CCCCCCCO F0001-0245 [1,1,0,0,0,0|0,0,1]=3 50 B7R0.1 CCNCCNCC F8889-7850 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.1 ClCCCCCCBr F0001-1706 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.1 ICCCCCCI F0001-1700 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.1 OCCCCCCO F0001-1701 [1,1,0,0,0,0|0,0,2]=4 54 B9R0.34 CCOC(=O)CC(=O)CC F8889-9376 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.1 COC(=O)CCC[N+](=O)[O-] F2147-8058 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.5 CCCCNC(=O)CC#N F2199-0293 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.20 CCCCCS(=O)(=O)O[Na] F0001-0800 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.38 CCCCCCP(=O)(O)O F0001-1262 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.55 O=C(Cl)CCCCC(=O)Cl F0001-0243 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.13 CCCCC(CC)C(=O)O F0001-0703 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.51 CCCCC(C)(C)C(=O)O F2147-6048 [0,2,0,0,0,0|1,0,0]=3 62 B7R1.2 O=C1CCC(=O)C1 F0001-1098 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.3 C=C1CCNCC1 F8888-3171 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 IC1CCCCC1 F2190-0186 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.3 O=C1COCCN1 F8889-4140 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.10 O=C1CC(CBr)C1 F2147-4325 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.18 CC(=O)C1CCC1 F0001-0928 [1,0,0,1,0,0|0,0,0]=2 68 B7R1.18 NC(=O)C1CCC1 F1913-0022 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.18 NC(=O)C1CNC1 F2158-1524 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 COC1CCNC1 F8881-0669 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.4 CC1CCCC1=O F9995-1299 [1,0,0,1,0,0|0,0,0]=2 72 B7R1.6 CNCC1CCC1 F2148-2252 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.24 C1CNCCOC1 F2148-0116 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.7 CCCC1=NNC(=O)C1 F3146-4773 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.13 CC(=O)NC1CCNC1 F2158-0957 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.13 CC(C)CC1CCCN1 F8888-0128 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.13 O=C(O)CC1CCNC1 F2197-0065 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.11 CNC(=O)C1CCCN1 F2158-0298 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.11 COC(=O)C1CSCN1 F1962-0024 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.118 NCC1(O)CCCCC1 F2189-0867 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.6 CC(=O)C1CCCNC1 F9995-4139 [0,1,0,1,0,0|0,0,0]=2 82 B9R1.6 CC(=O)C1CCNCC1 F2163-0196 [0,1,0,1,0,0|0,0,0]=2 83 B9R1.6 CC(=O)N1CCCCC1 F0808-1080 [0,1,0,1,0,0|0,0,0]=2 84 B9R1.6 CC(=O)N1CCOCC1 F0808-1092 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.6 CC(C)C1CCNCC1 F1905-0642 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.6 CC(C)C1CCNCC1 F8887-6914 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.6 CC(O)C1CCNCC1 F8880-7650 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.6 CN(C)C1CCNCC1 F2158-0927 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.6 NC(=O)C1CCCNC1 F2158-0898 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.6 O=C(O)C1CCNCC1 F0001-1572 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.6 O=C(O)[C@H]1CCCNC1 F0001-2356 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.85 CC(C)CCNC1CC1 F8889-8180 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.35 CN1CCC(C(=O)O)C1 F0001-1164 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.110 NC(C(=O)O)C1CCC1 F8887-4032 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.112 NC(CC1CC1)C(=O)O F8883-1565 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.133 CNC1CCS(=O)(=O)C1 F1040-0002 [0,1,0,1,0,0|2,0,0]=4