0 B10R0.1 BrCCCCCC(=O)OCC PI-21505 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.1 CCOC(=O)CCCCCO PI-45932 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.5 CCOC(=O)CCN=C=O PI-19662 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.5 CCOC=CC(=O)OCC PI-37578 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.5 O=C(OCC)COCCCl PI-41952 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.45 CCCCCCC=CCO PI-46869 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.46 CCCCCCC(=O)NN PI-50289 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.46 CCCCCCC(CO)O PI-44204 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.46 CCOCCOC(=O)CCl PI-22753 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.46 COC(=O)CCCCCO PI-45931 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.46 O=C(OC)CCCCCBr PI-40016 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.4 CCCCCC#CC(=O)OCC PI-19036 [0,1,0,0,0,0|0,0,1]=2 13 B11R0.4 CCOC(=O)CCCCCCBr PI-19404 [0,1,0,0,0,0|0,0,0]=1 14 B11R0.4 O=C(OCC)CCCCCCN PI-40332 [0,1,0,0,0,0|0,0,0]=1 15 B11R0.155 CCCCCC(C(=O)OCC)Br PI-44611 [0,1,0,0,0,0|0,0,0]=1 16 B11R0.155 CCOC(=O)C(CCCCN)N PI-33227 [0,1,0,0,0,0|1,0,0]=2 17 B11R0.155 CC\C=C(C)\C(O)CCCCC PI-40152 [0,1,0,0,0,0|2,0,0]=3 18 B11R0.176 CCOC(=O)CCCCC(=O)O PI-25749 [0,1,0,0,0,0|1,0,1]=3 19 B11R0.176 CCOC(=O)CCCOC(=O)C PI-19370 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.16 CCOC(=O)C1CCCCC1 PI-30479 [0,0,0,1,0,0|0,0,0]=1 21 B11R1.16 CCOC(=O)C1CCCCN1 PI-25203 [0,0,0,1,0,0|1,0,0]=2 22 B11R1.16 CCOC(=O)C1CCCCN1 PI-27902 [0,0,0,1,0,0|1,0,0]=2 23 B11R1.16 CCOC(=O)C1CCCNC1 PI-16598 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.16 CCOC(=O)C1CCCNC1 PI-25608 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.16 CCOC(=O)C1CCCNC1 PI-31082 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.16 CCOC(=O)C1CCCNC1 PI-33283 [0,0,0,1,0,0|1,0,0]=2 27 B11R1.16 CCOC(=O)C1CCCNC1 PI-33284 [0,0,0,1,0,0|1,0,0]=2 28 B11R1.16 CCOC(=O)C1CCNCC1 PI-27083 [0,0,0,1,0,0|1,0,0]=2 29 B11R1.16 CCOC(=O)C1CSCCN1 PI-17983 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.16 CCOC(=O)C1SCCCS1 PI-11231 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.16 CCOC(=O)N1CCNCC1 PI-16482 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.199 CCOC(=O)C1CCCC1=O PI-16795 [0,0,0,1,0,0|1,0,1]=3 33 B11R1.199 CCOC(=O)C1CCNC1=O PI-36173 [0,0,0,1,0,0|2,0,1]=4 34 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N PI-49241 [0,0,0,1,0,0|1,0,0]=2 35 B11R1.230 CC1CC(=O)OC1CCCC PI-27552 [0,0,0,1,0,0|2,0,0]=3 36 B8R0.1 CCOC(=O)CCC#C PI-40902 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.1 CCOC(=O)CCCBr PI-45007 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.1 CCOC(=O)CCCN PI-42166 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.1 CCOC(=O)CCSC PI-48514 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.1 O=C(OCC)CCNC PI-40053 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.4 CCCCCC=CCO PI-26231 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCCCCCBr PI-44631 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.4 CCCCCCCCCl PI-44615 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.4 CCCCSCCCC PI-48485 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.4 CCOCCOCCBr PI-50169 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.6 CCCCCC(=O)NN PI-50287 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.6 CCCCCC(CC)O PI-42991 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.6 O=C(OC)CCCCBr PI-40014 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.7 B(CCCCCC)(O)O PI-25221 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.7 BrCCCCCC(=O)O PI-26630 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.7 CC(=O)OCCCSC PI-35854 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [2,0,0,0,0,0|0,0,1]=3 55 B8R0.7 CCCCCCC(C)O PI-10350 [2,0,0,0,0,0|0,0,2]=4 56 B8R0.7 CCCCCOC(=O)Cl PI-24536 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.7 CCOCCOC(C)=O PI-12911 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.7 O=C(O)CCCCCN PI-41159 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.7 O=C(O)COCCCC PI-32593 [2,0,0,0,0,0|1,0,0]=3 60 B10R0.2 CCCC(=O)CC(=O)OCC PI-45789 [1,1,0,0,0,0|0,0,1]=3 61 B10R0.2 CCCC(CC(=O)OCC)O PI-45930 [1,1,0,0,0,0|0,0,0]=2 62 B10R0.2 CCOC(=N)CC(=O)OCC PI-18369 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.2 CCOC(=O)C[C@H](CC#N)O PI-13566 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.2 CCOC(=O)C[C@H](O)CC#N PI-16779 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.3 CCOC(=O)CCCC(=O)O PI-19044 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.19 CCCCC(=O)C(=O)OCC PI-33911 [1,1,0,0,0,0|0,0,1]=3 67 B10R0.19 CCCCC(C(=O)OCC)Br PI-19765 [1,1,0,0,0,0|0,0,0]=2 68 B10R0.19 CCOC(=O)C(CCCN)N PI-45795 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.19 CCOC(=O)C(CCSC)N PI-31138 [1,1,0,0,0,0|1,0,0]=3 70 B10R0.71 CCC#CCCCCCCCl PI-17122 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.71 CCCCCCCCCCF PI-23565 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.71 CCCCCCCCCCN PI-40487 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.71 CCCCCCNCCCN PI-39642 [1,1,0,0,0,0|2,0,0]=4 74 B10R0.55 COC(=O)CCCCC(=O)O PI-25751 [1,1,0,0,0,0|1,0,1]=4 75 B10R0.59 COC(=O)CCCC(=O)OC PI-44636 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.62 CCCCCCC(C)(CC)O PI-30303 [1,1,0,0,0,0|0,0,2]=4 77 B12R0.4 CCCCCCCC(=O)CC(C)C PI-42689 [0,2,0,0,0,0|1,0,0]=3 78 B12R0.125 CC(C)(C)OC(=O)CCCCCI PI-46550 [0,2,0,0,0,0|1,0,0]=3 79 B12R0.125 CNCCCNC(=O)OC(C)(C)C PI-34583 [0,2,0,0,0,0|2,0,0]=4 80 B12R0.125 O=C(OC(C)(C)C)NCCCCN PI-34584 [0,2,0,0,0,0|2,0,0]=4 81 B12R0.1 O=C=NCCCCCC(=O)OCC PI-19663 [0,2,0,0,0,0|0,0,1]=3 82 B12R0.114 CCOC(=O)C(=O)CCCCCCl PI-15817 [0,2,0,0,0,0|0,0,1]=3 83 B12R0.285 CCOC(=O)CCCC(=O)OCC PI-36961 [0,2,0,0,0,0|0,0,1]=3 84 B12R0.69 CCOC(=O)CC(C(=O)OCC)O PI-50487 [0,2,0,0,0,0|1,0,1]=4 85 B12R0.103 CCCOC(=O)CC(=O)OCCC PI-18092 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.11 CCOC(=O)C1CC=CC1 PI-33720 [1,0,0,1,0,0|0,0,2]=4 87 B10R1.11 CCOC(=O)C1CCCO1 PI-13056 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.11 CCOC(=O)[C@@H]1CCCN1 PI-33223 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.29 CCCCN1CCCC1=O PI-50565 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.135 CCOC(=O)C1CC1C=O PI-17872 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.1 CCCC1CCC(CC1)O PI-36674 [1,0,0,1,0,0|0,0,2]=4 92 B10R1.1 CCCN1CCC(=O)CC1 PI-33319 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.15 COC(=O)C1CCCCC1 PI-34205 [1,0,0,1,0,0|0,0,0]=2 94 B10R1.15 COC(=O)C1CCCCN1 PI-25279 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.15 COC(=O)C1CCCCN1 PI-33279 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.15 COC(=O)C1CCCNC1 PI-25618 [1,0,0,1,0,0|1,0,0]=3 97 B10R1.15 COC(=O)C1CCNCC1 PI-24303 [1,0,0,1,0,0|1,0,0]=3 98 B10R1.15 COC(=O)C1CCOCC1 PI-40558 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.15 COC(=O)C1CNCCN1 PI-36154 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.15 COC(=O)N1CCNCC1 PI-43190 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.15 COC(=O)[C@@H]1CCCCN1 PI-25280 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.149 COC(=O)C1CCCC1=O PI-12298 [1,0,0,1,0,0|1,0,1]=4 103 B10R1.149 COC(=O)C1CNCC1C PI-36282 [1,0,0,1,0,0|1,0,0]=3 104 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.32 CCOC(=O)C=C1CCCCC1 PI-17880 [0,1,0,1,0,0|0,0,1]=3 106 B12R1.32 CCOC(=O)NC1CCNCC1 PI-12553 [0,1,0,1,0,0|1,0,0]=3 107 B12R1.308 CCOC(=O)C1=C(CCCC1)N PI-19060 [0,1,0,1,0,0|0,0,2]=4 108 B12R1.308 CCOC(=O)C1CCCCN1C PI-46015 [0,1,0,1,0,0|0,0,0]=2 109 B12R1.308 CCOC(=O)C1CCCNC1=O PI-25502 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.308 CCOC(=O)C1CNCCC1=O PI-25787 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O PI-48322 [0,1,0,1,0,0|0,0,0]=2 112 B12R1.308 CCOC(=O)[C@@H]1CCOC[C@@H]1N PI-48240 [0,1,0,1,0,0|1,0,0]=3 113 B12R1.308 O=C(C1C(COCC1)=O)OCC PI-41962 [0,1,0,1,0,0|1,0,1]=4 114 B12R1.17 CCOC(=O)C1CC(CCN1)C PI-44227 [0,1,0,1,0,0|1,0,0]=3 115 B12R1.17 CCOC(=O)C1CCCC(=O)C1 PI-36558 [0,1,0,1,0,0|0,0,1]=3 116 B12R1.17 CCOC(=O)C1CCCN(C1)C PI-25629 [0,1,0,1,0,0|1,0,0]=3 117 B12R1.30 C1CNCCC1C(=O)NCCO PI-12554 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.1595 CCOC(=O)C1(CCOCC1)N PI-48864 [0,1,0,1,0,0|1,0,0]=3 119 B12R1.16 CCOC(=O)C1CCC(=O)CC1 PI-22112 [0,1,0,1,0,0|0,0,1]=3 120 B12R1.16 CCOC(=O)C1CCN(C)CC1 PI-33280 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.16 CCOC(=O)N1CCC(=O)CC1 PI-16478 [0,1,0,1,0,0|1,0,1]=4 122 B12R1.16 CCOC(=O)N1CCC(CC1)N PI-11375 [0,1,0,1,0,0|1,0,0]=3 123 B12R1.16 O=C(N1CCC(O)CC1)OCC PI-11346 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.8 C1CCC2(CC1)CCNC2=O PI-12650 [0,0,0,2,0,0|1,0,0]=3 125 B12R2.2028 C1CCC2C(C1)C(=O)OC2=O PI-17988 [0,0,0,2,0,0|1,0,1]=4 126 B12R2.2028 C1CCC2C(C1)C(=O)OC2=O PI-47042 [0,0,0,2,0,0|1,0,1]=4 127 B12R2.2028 O=C1OC(C2CCCCC21)=O PI-33554 [0,0,0,2,0,0|1,0,1]=4