0 B9R1.8 BrCCC1CCCCC1 PI-17338 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.8 C1COC(CN1)CCN PI-36262 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.8 C1COC(OC1)CCBr PI-48812 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 CCCC1CCCCN1 PI-18460 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 COCC1CCCCN1 PI-43215 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 COCC1CCCCN1 PI-43325 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,0,1,0,0,0|1,0,0]=2 7 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,0,1,0,0,0|3,0,0]=4 8 B9R0.2 CCCCCCNC(=S)N PI-20722 [0,0,1,0,0,0|2,1,0]=4 9 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,0,1,0,0,0|2,0,0]=3 10 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,0,1,0,0,0|1,0,0]=2 11 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,0,1,0,0,0|1,0,0]=2 12 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,0,1,0,0,0|3,0,0]=4 13 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,0,1,0,0,0|1,0,1]=3 14 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,0,1,0,0,0|3,0,0]=4 15 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.33 C=CCN1CCCC1=O PI-48184 [0,0,0,0,1,0|1,0,2]=4 17 B9R1.33 CN1CCCC1CCN PI-32492 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.33 COCC1CCCN1N PI-30883 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.33 COC[C@@H]1CCCN1N PI-30759 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.33 ClCCC1CCCN1C PI-16414 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.33 NCCN1CCNC1=O PI-15901 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.33 OCCC1CCCN1C PI-32493 [0,0,0,0,1,0|3,0,0]=4 23 B8R0.4 CCCCCCCCBr PI-44631 [1,0,1,0,0,0|1,0,1]=4 24 B8R0.4 CCCCCCCCCl PI-44615 [1,0,1,0,0,0|1,0,1]=4 25 B8R0.4 CCCCC\C=C\C=O PI-38486 [1,0,1,0,0,0|0,0,2]=4 26 B8R0.4 CCCCSCCCC PI-48485 [1,0,1,0,0,0|0,1,1]=4 27 B8R0.7 B(CCCCCC)(O)O PI-25221 [1,0,1,0,0,0|1,0,1]=4 28 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.7 BrCCCCCC(=O)O PI-26630 [1,0,1,0,0,0|1,0,0]=3 30 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [1,0,1,0,0,0|0,0,1]=3 32 B8R0.7 CCCCCCC(C)O PI-10350 [1,0,1,0,0,0|1,0,1]=4 33 B8R0.7 CCCCCOC(=O)Cl PI-24536 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.7 O=C(O)CCCCCN PI-41159 [1,0,1,0,0,0|1,0,0]=3 35 B8R0.7 O=C(O)COCCCC PI-32593 [1,0,1,0,0,0|1,0,0]=3 36 B8R0.1 CCCCC(CCC)O PI-46865 [1,0,1,0,0,0|0,0,1]=3 37 B8R0.1 CCCOC(=O)CC#N PI-32784 [1,0,1,0,0,0|1,0,1]=4 38 B8R0.1 CCOC(=O)CCCBr PI-45007 [1,0,1,0,0,0|2,0,0]=4 39 B8R0.1 CCOC(=O)CCCN PI-42166 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.1 CCOC(=O)CCSC PI-48514 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.1 O=C(OCC)CCNC PI-40053 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [1,0,1,0,0,0|1,0,1]=4 43 B8R0.6 CCCCCC(CC)O PI-42991 [1,0,1,0,0,0|1,0,1]=4 44 B8R0.22 CCC(OCC)OCC PI-50606 [1,0,1,0,0,0|1,0,1]=4 45 B8R0.22 CCCN(CCC)N=O PI-47047 [1,0,1,0,0,0|2,0,0]=4 46 B8R1.2 C1CC(OC=C1)CN PI-31375 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.2 C1CC(OC=C1)CO PI-28456 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.2 CCC1CCCCN1 PI-11060 [2,0,0,0,0,0|1,0,1]=4 49 B8R1.2 COC1CCC=CO1 PI-42091 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.4 CC1CCCC(=O)N1 PI-35204 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [2,0,0,0,0,0|0,0,0]=2 52 B8R1.4 O=C1CCOC(C1)C PI-40554 [2,0,0,0,0,0|2,0,0]=4 53 B10R0.3 CCOC(=O)CCCC(=O)O PI-19044 [0,1,1,0,0,0|1,0,1]=4 54 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [0,1,1,0,0,0|1,0,1]=4 55 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [0,1,1,0,0,0|0,0,0]=2 56 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [0,1,1,0,0,0|0,0,0]=2 57 B10R0.4 C(COCCOCC(=O)O)N PI-49367 [0,1,1,0,0,0|2,0,0]=4 58 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [0,1,1,0,0,0|0,0,1]=3 59 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [0,1,1,0,0,0|0,0,1]=3 60 B10R0.4 NCCCCCCCC(=O)O PI-24013 [0,1,1,0,0,0|0,0,0]=2 61 B10R0.6 C(CCN)CC(CC(=O)O)N PI-43593 [0,1,1,0,0,0|1,0,0]=3 62 B10R0.22 CCCCCCCP(=O)(Cl)Cl PI-29909 [0,1,1,0,0,0|2,0,0]=4 63 B10R0.22 CCCCCCCS(=O)(=O)[O-] PI-15986 [0,1,1,0,0,0|1,0,1]=4 64 B10R0.55 COC(=O)CCCCC(=O)O PI-25751 [0,1,1,0,0,0|1,0,1]=4 65 B10R0.74 CCCCCCCC(=O)NN PI-50239 [0,1,1,0,0,0|1,0,0]=3 66 B10R0.74 CCCCCCOC(=O)CN PI-15958 [0,1,1,0,0,0|2,0,0]=4 67 B10R0.75 C(CO)CSCC(C(=O)O)N PI-18144 [0,1,1,0,0,0|2,0,0]=4 68 B10R0.75 CCCCCCC(N)C(=O)O PI-30827 [0,1,1,0,0,0|0,0,0]=2 69 B10R0.78 CCCCC(C)CCC(=O)O PI-24483 [0,1,1,0,0,0|0,0,0]=2 70 B10R0.97 OC(=O)CCCCCC(=O)O PI-10808 [0,1,1,0,0,0|1,0,1]=4 71 B10R0.1 BrCCCCCC(=O)OCC PI-21505 [0,1,1,0,0,0|2,0,0]=4 72 B10R0.1 CCOC(=O)CCCCCO PI-45932 [0,1,1,0,0,0|2,0,0]=4 73 B10R0.2 CCCC(CC(=O)OCC)O PI-45930 [0,1,1,0,0,0|2,0,0]=4 74 B10R0.19 CCCCC(=O)C(=O)OCC PI-33911 [0,1,1,0,0,0|2,0,0]=4 75 B10R0.19 CCCCC(C(=O)OCC)Br PI-19765 [0,1,1,0,0,0|2,0,0]=4 76 B10R0.156 CCCCCC(C)(CCC)O PI-19339 [0,1,1,0,0,0|1,0,1]=4 77 B10R0.87 CC(=O)OC(CCCBr)CBr PI-25318 [0,1,1,0,0,0|1,0,0]=3 78 B10R1.1 CCCC1CCC(CC1)O PI-36674 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.4 CCCC1CCCCC1O PI-19976 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.17 C1CCOC(C1)OCCBr PI-47086 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.17 C1CCOC(C1)OCCCl PI-47085 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.54 CC(C)CC1COC(=O)N1 PI-35871 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.54 CC(C)CC1COC(=O)N1 PI-35872 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.29 CCCCN1CCCC1=O PI-50565 [0,1,0,0,1,0|1,0,0]=3 85 B10R1.29 NCCCN1CCCC1=O PI-17919 [0,1,0,0,1,0|1,0,0]=3 86 B10R1.149 COC(=O)C1CCCC1=O PI-12298 [0,1,0,0,1,0|1,0,1]=4 87 B12R1.17 CCOC(=O)C1CCCC(=O)C1 PI-36558 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,2,0,0,0,0|0,0,0]=2 89 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [0,0,1,1,0,0|1,0,0]=3 90 B10R1.61 CN1CCNCC1C(=O)O PI-35986 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.66 ClC(=O)CCC1CCCC1 PI-25035 [0,0,1,1,0,0|1,0,0]=3 92 B10R1.66 OC(=O)CCC1CCCC1 PI-12731 [0,0,1,1,0,0|0,0,0]=2 93 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [0,0,1,1,0,0|0,0,0]=2 94 B10R1.138 CCCC(=O)OCC1CO1 PI-16670 [0,0,1,1,0,0|1,0,0]=3 95 B10R1.138 CCCC(=O)OC[C@@H]1CO1 PI-16664 [0,0,1,1,0,0|1,0,0]=3 96 B10R2.62 O=C1CN2CCC1CC2 PI-12323 [1,0,0,1,0,0|2,0,0]=4 97 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,0,1,0,1,0|2,0,0]=4 98 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,0,1,0,1,0|2,0,0]=4 99 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,0,1,0,1,0|1,0,0]=3 100 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,0,1,0,1,0|2,0,0]=4 101 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,0,1,0,1,0|2,0,0]=4 102 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [1,0,0,0,1,0|2,0,0]=4 103 B8R1.1 C1CC(=O)NC1CO PI-35695 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.1 CCC1COC(=O)O1 PI-50185 [1,0,0,0,1,0|1,0,0]=3 105 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [1,0,0,0,1,0|2,0,0]=4 106 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [1,0,0,0,1,0|1,0,0]=3 107 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [1,0,0,0,1,0|1,0,1]=4 108 B8R1.11 CCN1CCCC1=O PI-12779 [1,0,0,0,1,0|1,0,0]=3 109 B8R1.8 C1COC(O1)CCN PI-17178 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.8 CNCC1CCCO1 PI-45431 [1,0,0,0,1,0|1,0,0]=3 111 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [1,0,0,0,1,0|2,0,0]=4