0 B14R0.393 CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210319 [0,0,0,0,0,0|2,0,1]=3 1 B14R0.393 CCCCCCCCCSC(C)CCC 62a_100000766640_100000210670 [0,0,0,0,0,0|3,0,1]=4 2 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100000210759_100011216630 [0,0,0,0,0,0|3,0,1]=4 3 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100011216630_100000210317 [0,0,0,0,0,0|3,0,1]=4 4 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [1,0,0,0,0,0|2,0,1]=4 5 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000210759_100000748023 [1,0,0,0,0,0|2,0,1]=4 6 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000748023_100000210317 [1,0,0,0,0,0|2,0,1]=4 7 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100000210759_100009816398 [1,0,0,0,0,0|2,0,1]=4 8 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210317 [1,0,0,0,0,0|2,0,1]=4 9 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [1,0,0,0,0,0|2,0,0]=3 10 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [1,0,0,0,0,0|2,0,0]=3 11 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [1,0,0,0,0,0|2,0,0]=3 12 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [1,0,0,0,0,0|2,0,0]=3 13 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [1,0,0,0,0,0|2,0,1]=4 14 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [1,0,0,0,0,0|2,0,1]=4 15 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [1,0,0,0,0,0|0,1,1]=3 16 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [1,0,0,0,0,0|1,1,1]=4 17 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [1,0,0,0,0,0|2,0,0]=3 18 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [1,0,0,0,0,0|3,0,0]=4 19 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [1,0,0,0,0,0|2,0,1]=4 20 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [1,0,0,0,0,0|2,0,1]=4 21 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [1,0,0,0,0,0|2,0,1]=4 22 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [1,0,0,0,0,0|2,0,1]=4 23 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [1,0,0,0,0,0|2,0,1]=4 24 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [0,1,0,0,0,0|1,0,1]=3 25 B15R0.69 CCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210319 [0,1,0,0,0,0|1,0,1]=3 26 B15R0.69 CCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210319 [0,1,0,0,0,0|1,0,1]=3 27 B15R0.69 CCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210319 [0,1,0,0,0,0|1,0,1]=3 28 B15R0.69 CCCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210319 [0,1,0,0,0,0|2,0,1]=4 29 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210375_100000210624 [0,1,0,0,0,0|1,0,0]=2 30 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210319 [0,1,0,0,0,0|1,0,0]=2 31 B15R0.69 CCCCCCCCCCC(C)OC(C)C 34a_100011215000_100000210206 [0,1,0,0,0,0|1,0,1]=3 32 B15R0.69 CCCCCCCCCCC(C)OC(C)C 7a_100011215000_100000210206 [0,1,0,0,0,0|1,0,1]=3 33 B15R0.324 C/C=C(\C)/C(=O)CCCCCCCCCC 1458a_100020587367_100000210319 [0,1,0,0,0,0|1,0,1]=3 34 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100000210375_100000758301 [0,1,0,0,0,0|1,0,0]=2 35 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210319 [0,1,0,0,0,0|1,0,0]=2 36 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [0,1,0,0,0,0|1,0,2]=4 37 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [0,1,0,0,0,0|1,0,2]=4 38 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [0,1,0,0,0,0|1,0,1]=3 39 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [0,1,0,0,0,0|1,0,1]=3 40 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [0,1,0,0,0,0|1,0,1]=3 41 B15R0.366 CCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011215454 [0,1,0,0,0,0|2,0,1]=4 42 B15R0.366 CCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011215454 [0,1,0,0,0,0|2,0,1]=4 43 B15R0.366 CCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100011215454 [0,1,0,0,0,0|2,0,1]=4 44 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,1,0,0,0,0|1,0,0]=2 45 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,1,0,0,0,0|1,0,0]=2 46 B15R0.366 CCCCCCCCCCCC(C)OCC 34a_100011217895_100000210202 [0,1,0,0,0,0|1,0,1]=3 47 B15R0.366 CCCCCCCCCCCC(C)OCC 7a_100011217895_100000210202 [0,1,0,0,0,0|1,0,1]=3 48 B15R0.366 CCCCCCCCCCCC(C)OCF 34a_100011217895_100015361967 [0,1,0,0,0,0|2,0,1]=4 49 B15R0.366 CCCCCCCCCCCC(C)OCF 7a_100011217895_100015361967 [0,1,0,0,0,0|2,0,1]=4 50 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000210711_100000766640 [0,1,0,0,0,0|2,0,1]=4 51 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000764384_100000210320 [0,1,0,0,0,0|2,0,1]=4 52 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000210711_100000766640 [0,1,0,0,0,0|2,0,1]=4 53 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000764384_100000210320 [0,1,0,0,0,0|2,0,1]=4 54 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000210712_100011216630 [0,1,0,0,0,0|2,0,1]=4 55 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000688023_100011214924 [0,1,0,0,0,0|2,0,1]=4 56 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000210712_100011216630 [0,1,0,0,0,0|2,0,1]=4 57 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000688023_100000210328 [0,1,0,0,0,0|2,0,1]=4 58 B15R0.366 CCCCCCCCCSCC(C)CCC 62a_100011216630_100000210670 [0,1,0,0,0,0|2,0,1]=4 59 B15R0.366 CCCCCCCCOCCC(C)CCC 34a_100011217855_100000210759 [0,1,0,0,0,0|2,0,1]=4 60 B15R0.366 CCCCCCCCOCCC(C)CCC 7a_100011217855_100000210759 [0,1,0,0,0,0|2,0,1]=4 61 B15R0.366 CCCCCCCOCCCC(C)CCC 34a_100011713154_100000210614 [0,1,0,0,0,0|2,0,1]=4 62 B15R0.366 CCCCCCCOCCCC(C)CCC 7a_100011713154_100000210614 [0,1,0,0,0,0|2,0,1]=4 63 B15R0.370 C=C(CCC)CC(=O)CCCCCCCC 1458a_100000138376_100000210759 [0,1,0,0,0,0|2,0,1]=4 64 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCC 1458a_100000210375_100102629194 [0,1,0,0,0,0|1,0,1]=3 65 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [0,1,0,0,0,0|1,0,1]=3 66 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [0,1,0,0,0,0|1,0,1]=3 67 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [0,1,0,0,0,0|1,0,2]=4 68 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [0,1,0,0,0,0|1,0,2]=4 69 B15R0.2002 C=CCOC(C)CCCCCCCCCC 34a_100011215000_100015514636 [0,1,0,0,0,0|1,0,2]=4 70 B15R0.2002 C=CCOC(C)CCCCCCCCCC 7a_100011215000_100015514636 [0,1,0,0,0,0|1,0,2]=4 71 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000070051 [0,1,0,0,0,0|1,0,1]=3 72 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100121576822_100000210319 [0,1,0,0,0,0|1,0,1]=3 73 B15R0.2002 CCC=CC(=O)CCCCCCCCCC 1458a_100000212282_100000210319 [0,1,0,0,0,0|1,0,0]=2 74 B15R0.2002 CCCCCCCCC=CC(=O)CCCC 1458a_100015345288_100000210211 [0,1,0,0,0,0|1,0,2]=4 75 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [0,1,0,0,0,0|1,0,0]=2 76 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [0,1,0,0,0,0|1,0,0]=2 77 B15R0.2002 CCCCCCCCCCC(C)OCCC 34a_100011215000_100000210303 [0,1,0,0,0,0|1,0,1]=3 78 B15R0.2002 CCCCCCCCCCC(C)OCCC 7a_100011215000_100000210303 [0,1,0,0,0,0|1,0,1]=3 79 B15R0.2002 CCCCCCCCCCC(C)OCSC 34a_100011215000_100011218213 [0,1,0,0,0,0|1,0,1]=3 80 B15R0.3222 CC/C=C(\C)/C(=O)CCCCCCCCC 1458a_100016988807_100000210670 [0,1,0,0,0,0|2,0,1]=4 81 B14R0.391 CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210670 [1,1,0,0,0,0|1,0,1]=4 82 B14R0.337 CCCCCCCCCCSC(C)CC 62a_100000758301_100000210320 [1,1,0,0,0,0|1,0,1]=4 83 B14R0.337 CCCCCCCCCSCC(C)CC 62a_100000748023_100000210670 [1,1,0,0,0,0|1,0,1]=4 84 B14R0.337 CCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210670 [1,1,0,0,0,0|1,0,1]=4 85 B14R0.145 CC/C=C\CCSC(C)CCCCCC 62a_100011215978_100015370543 [1,1,0,0,0,0|2,0,0]=4 86 B14R0.145 CC/C=C\CCSC(C)CCCCCC 62a_100015370543_100011215978 [1,1,0,0,0,0|2,0,0]=4 87 B14R0.145 CC/C=C\CSC(C)CCCCCCC 62a_100103147603_200011218727 [1,1,0,0,0,0|2,0,0]=4 88 B14R0.145 CC/C=C\CSC(C)CCCCCCC 62a_200011218727_100103147603 [1,1,0,0,0,0|2,0,0]=4 89 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100000210759_100015370543 [1,1,0,0,0,0|1,0,0]=3 90 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100015370543_100000210317 [1,1,0,0,0,0|1,0,0]=3 91 B14R0.392 CC/C=C\CSCCCCCCCCC 62a_100103147603_100000210670 [1,1,0,0,0,0|1,0,0]=3 92 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [1,1,0,0,0,0|1,0,1]=4 93 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [1,1,0,0,0,0|1,0,1]=4 94 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [1,1,0,0,0,0|0,1,1]=4 95 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [1,1,0,0,0,0|0,1,1]=4 96 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [1,1,0,0,0,0|0,1,1]=4 97 B14R0.392 CCCCCCCCCCCSCSC 62a_100011218213_100011215454 [1,1,0,0,0,0|0,1,1]=4 98 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [1,1,0,0,0,0|1,0,1]=4 99 B14R0.392 CCCCCCCCCCSCCCF 62a_100011934791_100000210320 [1,1,0,0,0,0|2,0,0]=4 100 B14R0.392 CCCCCCCCCCSCCSC 62a_100000212216_100000210320 [1,1,0,0,0,0|2,0,0]=4 101 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [1,1,0,0,0,0|1,0,1]=4 102 B14R0.392 CCCCCCCCCSCCSCC 62a_100000757381_100000210670 [1,1,0,0,0,0|0,1,1]=4 103 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [1,1,0,0,0,0|1,0,1]=4 104 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [1,1,0,0,0,0|1,0,1]=4 105 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [1,1,0,0,0,0|1,0,1]=4 106 B14R0.394 CC/C=C\CCSCCCCCC(C)C 62a_100000210682_100015370543 [1,1,0,0,0,0|2,0,0]=4 107 B14R0.394 CC/C=C\CCSCCCCCC(C)C 62a_100015370543_100000210682 [1,1,0,0,0,0|2,0,0]=4 108 B14R0.394 CCCCCCCCCCCSC(C)C 62a_100000210206_100011215454 [1,1,0,0,0,0|0,1,1]=4 109 B14R0.394 CCCCCCCCCCSCC(C)C 62a_100000210624_100000210320 [1,1,0,0,0,0|2,0,0]=4 110 B16R0.67 CCCCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210319 [0,2,0,0,0,0|1,0,0]=3 111 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [0,2,0,0,0,0|1,0,1]=4 112 B16R0.302 C=CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100009814027 [0,2,0,0,0,0|1,0,1]=4 113 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)C 1458a_200015352897_100000210624 [0,2,0,0,0,0|1,0,1]=4 114 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011215454 [0,2,0,0,0,0|1,0,1]=4 115 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215454 [0,2,0,0,0,0|1,0,1]=4 116 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011215454 [0,2,0,0,0,0|1,0,1]=4 117 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215454 [0,2,0,0,0,0|1,0,0]=3 118 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210736_100000210624 [0,2,0,0,0,0|1,0,0]=3 119 B16R0.302 CCCCCCCCCCCC(=O)CC(F)F 1458a_100000210736_100011934356 [0,2,0,0,0,0|2,0,0]=4 120 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 34a_100011217895_100000210206 [0,2,0,0,0,0|1,0,1]=4 121 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 7a_100011217895_100000210206 [0,2,0,0,0,0|1,0,1]=4 122 B16R0.1182 C=CC(C)CC(=O)CCCCCCCCCC 1458a_100011934298_100000210319 [0,2,0,0,0,0|1,0,0]=3 123 B16R0.1182 CCC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000748023 [0,2,0,0,0,0|2,0,0]=4 124 B16R0.1182 CCCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210319 [0,2,0,0,0,0|1,0,0]=3 125 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000210375_100000748023 [0,2,0,0,0,0|1,0,0]=3 126 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210319 [0,2,0,0,0,0|1,0,0]=3 127 B16R0.1182 CCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210375_100009816398 [0,2,0,0,0,0|1,0,0]=3 128 B16R0.1182 CCCCCCCCCCC(C)OC(C)CC 34a_100011215000_100011215416 [0,2,0,0,0,0|1,0,1]=4 129 B16R0.1182 CCCCCCCCCCC(C)OC(C)CC 7a_100011215000_100000758301 [0,2,0,0,0,0|1,0,1]=4 130 B16R0.1182 CC[C@H](C)CC(=O)CCCCCCCCCF 1458a_200009909015_100009816398 [0,2,0,0,0,0|2,0,0]=4 131 B16R0.1193 CCCCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210319 [0,2,0,0,0,0|1,0,0]=3 132 B16R0.1193 CCCCCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210319 [0,2,0,0,0,0|2,0,0]=4 133 B16R0.1193 CCCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100000210375_100000233785 [0,2,0,0,0,0|1,1,0]=4 134 B16R0.1193 CCCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210319 [0,2,0,0,0,0|1,1,0]=4 135 B16R0.1193 CCCCCCCCCCC(C)OC(C)(C)C 34a_100011215000_100000210625 [0,2,0,0,0,0|1,0,1]=4 136 B16R0.5005 CCCCCCCC(C)(C)SCC(=O)CCC 62a_100000747444_200000046972 [0,2,0,0,0,0|2,0,0]=4 137 B16R0.5005 CCCCCCCC(C)(C)SCC(=O)CCC 62a_200000046972_100000747444 [0,2,0,0,0,0|2,0,0]=4 138 B16R0.70 C/C=C(\C)/C(=O)CCCCCCCCCCC 1458a_100020587367_100011215454 [0,2,0,0,0,0|1,0,1]=4 139 B16R0.70 C=CCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100009814027 [0,2,0,0,0,0|1,0,1]=4 140 B16R0.70 CCCCCCCCCC=CC(=O)C(C)CC 1458a_200015352897_100000758301 [0,2,0,0,0,0|1,0,1]=4 141 B16R0.70 CCCCCCCCCCCC(=O)C(C)CC 1458a_100000210736_100000758301 [0,2,0,0,0,0|1,0,0]=3 142 B16R0.70 CCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215454 [0,2,0,0,0,0|1,0,0]=3 143 B16R0.70 CCCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100011215454 [0,2,0,0,0,0|2,0,0]=4 144 B16R0.690 CCCCCCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210319 [0,2,0,0,0,0|1,0,0]=3 145 B16R0.690 CCCCCCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210319 [0,2,0,0,0,0|2,0,0]=4 146 B16R0.690 CCCCCCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210319 [0,2,0,0,0,0|1,0,0]=3 147 B16R0.1183 C=CCC(C)C(=O)CCCCCCCCCC 1458a_100011216819_100000210319 [0,2,0,0,0,0|1,0,1]=4 148 B16R0.1183 CC/C=C(\C)/C(=O)CCCCCCCCCC 1458a_100016988807_100000210319 [0,2,0,0,0,0|1,0,0]=3 149 B16R0.1183 CCCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000766640 [0,2,0,0,0,0|2,0,0]=4 150 B16R0.1183 CCCCCCCCCCC(=O)C(C)CCC 1458a_100000210375_100000766640 [0,2,0,0,0,0|1,0,0]=3 151 B16R0.1183 CCCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210319 [0,2,0,0,0,0|1,0,0]=3 152 B16R0.1183 CCCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210319 [0,2,0,0,0,0|1,0,0]=3 153 B16R0.1183 CCCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210319 [0,2,0,0,0,0|0,1,0]=3 154 B16R0.1185 CCC(CC)C(=O)CCCCCCCCCF 1458a_200009909015_100000210505 [0,2,0,0,0,0|2,0,0]=4 155 B16R0.1185 CCCCCCCCCCC(=O)C(CC)CC 1458a_100000210375_100000210505 [0,2,0,0,0,0|1,0,0]=3 156 B16R0.1185 CCCCCCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210319 [0,2,0,0,0,0|1,0,0]=3 157 B16R0.61 C=CCCCCCCCCCCC(=O)C=CC 1458a_100000210699_100011093070 [0,2,0,0,0,0|1,0,1]=4 158 B16R0.61 C=CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011093070 [0,2,0,0,0,0|1,0,0]=3 159 B16R0.61 C=CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011093070 [0,2,0,0,0,0|2,0,0]=4 160 B16R0.61 C=CCCCCCCCCSCC(=O)CCC 62a_100000747444_100011933949 [0,2,0,0,0,0|1,0,1]=4 161 B16R0.61 C=CCCCCCCCCSCC(=O)CCC 62a_100011933949_100000747444 [0,2,0,0,0,0|1,0,1]=4 162 B16R0.61 CC=CC(=O)CCCCCCCCCCCC 1458a_100000210699_100000759014 [0,2,0,0,0,0|1,0,1]=4 163 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_100000759014 [0,2,0,0,0,0|1,0,0]=3 164 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100011215791_100000210303 [0,2,0,0,0,0|1,0,0]=3 165 B16R0.61 CCCCCCCCCCCCC(=O)CCF 1458a_100011215791_100011217306 [0,2,0,0,0,0|2,0,0]=4 166 B16R0.61 CCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000759014 [0,2,0,0,0,0|2,0,0]=4 167 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_100121572206_200011217028 [0,2,0,0,0,0|1,0,1]=4 168 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_200011215752_100000210202 [0,2,0,0,0,0|1,0,1]=4 169 B16R0.61 CCCCCCCCCCCCC(C)OCC 7a_200011215752_100000210202 [0,2,0,0,0,0|1,0,1]=4 170 B16R0.61 CCCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210320 [0,2,0,0,0,0|1,0,0]=3 171 B16R0.154 C=C(CCC)CC(=O)CCCCCCCCC 1458a_100000138376_100000210670 [0,2,0,0,0,0|2,0,0]=4 172 B16R0.661 C/C=C/CC(=O)CCCCCCCCCCC 1458a_100000210736_100102629194 [0,2,0,0,0,0|1,0,1]=4 173 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [0,2,0,0,0,0|1,0,1]=4 174 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [0,2,0,0,0,0|1,0,1]=4 175 B16R0.661 C=CCCCCCCCCCC(=O)C=CCC 1458a_100000212282_100009814027 [0,2,0,0,0,0|1,0,1]=4 176 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [0,2,0,0,0,0|1,0,1]=4 177 B16R0.661 C=CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100009814027 [0,2,0,0,0,0|1,0,1]=4 178 B16R0.661 C=CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100009814027 [0,2,0,0,0,0|0,1,1]=4 179 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000070051 [0,2,0,0,0,0|1,0,1]=4 180 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100121576822_100011215454 [0,2,0,0,0,0|1,0,1]=4 181 B16R0.661 CCC=CC(=O)CCCCCCCCCCC 1458a_100000212282_100011215454 [0,2,0,0,0,0|1,0,0]=3 182 B16R0.661 CCCCCCCCCC=CC(=O)CCCC 1458a_200015352897_100000210211 [0,2,0,0,0,0|1,0,1]=4 183 B16R0.661 CCCCCCCCCC=CC(=O)CCCF 1458a_200015352897_100011934791 [0,2,0,0,0,0|1,0,1]=4 184 B16R0.661 CCCCCCCCCC=CC(=O)CCSC 1458a_200015352897_100000751147 [0,2,0,0,0,0|1,0,1]=4 185 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [0,2,0,0,0,0|1,0,0]=3 186 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [0,2,0,0,0,0|1,0,0]=3 187 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [0,2,0,0,0,0|1,0,0]=3 188 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011215454 [0,2,0,0,0,0|1,0,0]=3 189 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000210736_100000751147 [0,2,0,0,0,0|1,0,0]=3 190 B16R0.661 CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011215454 [0,2,0,0,0,0|0,1,0]=3 191 B16R0.661 CCCCCCCCCCCC(C)OCCC 34a_100011217895_100000210303 [0,2,0,0,0,0|1,0,1]=4 192 B16R0.661 CCCCCCCCCCCC(C)OCCC 7a_100011217895_100000210303 [0,2,0,0,0,0|1,0,1]=4 193 B16R0.661 CCCCCCCCCCCC(C)OCCF 34a_100011217895_100011217306 [0,2,0,0,0,0|1,0,1]=4 194 B16R0.661 CCCCCCCCCCCC(C)OCCF 7a_100011217895_100011217306 [0,2,0,0,0,0|1,0,1]=4 195 B16R0.661 CCCCCCCCCCCC(C)OCSC 34a_100011217895_100011218213 [0,2,0,0,0,0|1,0,1]=4 196 B16R0.5308 CCCCCCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210670 [0,2,0,0,0,0|1,1,0]=4 197 B16R0.5308 CCCCCCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210316 [0,2,0,0,0,0|1,1,0]=4 198 B16R0.5308 CCCCCCCSCCC[Si](C)(C)OCC 62a_100000210614_100000070546 [0,2,0,0,0,0|1,1,0]=4 199 B16R0.68 C/C=C/C=CC(=O)CCCCCCCCCC 1458a_100000185730_100000210319 [0,2,0,0,0,0|1,0,1]=4 200 B16R0.68 C/C=C/COC(C)CCCCCCCCCC 34a_100011215000_100102629194 [0,2,0,0,0,0|1,0,1]=4 201 B16R0.68 C/C=C/COC(C)CCCCCCCCCC 7a_100011215000_100102629194 [0,2,0,0,0,0|1,0,1]=4 202 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000757094 [0,2,0,0,0,0|1,0,0]=3 203 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000766728_100000210319 [0,2,0,0,0,0|1,0,0]=3 204 B16R0.68 C=CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000757094 [0,2,0,0,0,0|2,0,0]=4 205 B16R0.68 C=CCCOC(C)CCCCCCCCCC 34a_100011215000_100000754431 [0,2,0,0,0,0|1,0,1]=4 206 B16R0.68 C=CCCOC(C)CCCCCCCCCC 7a_100011215000_100000754431 [0,2,0,0,0,0|1,0,1]=4 207 B16R0.68 C=CCSCC(=O)CCCCCCCCCC 1458a_100000230395_100000210319 [0,2,0,0,0,0|0,1,1]=4 208 B16R0.68 CC/C=C/CC(=O)CCCCCCCCCC 1458a_100016274230_100000210319 [0,2,0,0,0,0|1,0,0]=3 209 B16R0.68 CC/C=C\CC(=O)CCCCCCCCCC 1458a_100000210375_100103147603 [0,2,0,0,0,0|1,0,0]=3 210 B16R0.68 CC/C=C\CC(=O)CCCCCCCCCF 1458a_200009909015_100103147603 [0,2,0,0,0,0|2,0,0]=4 211 B16R0.68 CC=CCOC(C)CCCCCCCCCC 34a_100011215000_100000070051 [0,2,0,0,0,0|1,0,1]=4 212 B16R0.68 CC=CCOC(C)CCCCCCCCCC 7a_100011215000_100000070051 [0,2,0,0,0,0|1,0,1]=4 213 B16R0.68 CCCC=CC(=O)CCCCCCCCCC 1458a_100000212230_100000210319 [0,2,0,0,0,0|1,0,0]=3 214 B16R0.68 CCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210326 [0,2,0,0,0,0|2,0,0]=4 215 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [0,2,0,0,0,0|1,0,0]=3 216 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [0,2,0,0,0,0|1,0,0]=3 217 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [0,2,0,0,0,0|1,0,0]=3 218 B16R0.68 CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210319 [0,2,0,0,0,0|1,0,0]=3 219 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000210375_100000757381 [0,2,0,0,0,0|0,1,0]=3 220 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210319 [0,2,0,0,0,0|0,1,0]=3 221 B16R0.68 CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210319 [0,2,0,0,0,0|0,1,0]=3 222 B16R0.68 CCCCCCCCCCC(C)OCCCC 34a_100011215000_100000210210 [0,2,0,0,0,0|1,0,1]=4 223 B16R0.68 CCCCCCCCCCC(C)OCCCC 7a_100011215000_100000210211 [0,2,0,0,0,0|1,0,1]=4 224 B16R0.68 CCCCCCCCCCC(C)OCCCF 34a_100011215000_100011934791 [0,2,0,0,0,0|1,0,1]=4 225 B16R0.68 CCCCCCCCCCC(C)OCCCF 7a_100011215000_100011934791 [0,2,0,0,0,0|1,0,1]=4 226 B16R0.68 CCCCCCCCCCC(C)OCCSC 34a_100011215000_100000212216 [0,2,0,0,0,0|1,0,1]=4 227 B16R0.68 CCCCCCCCCCC(C)OCCSC 7a_100011215000_100000212216 [0,2,0,0,0,0|1,0,1]=4 228 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_100000210759_200012276598 [0,2,0,0,0,0|2,0,0]=4 229 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210317 [0,2,0,0,0,0|2,0,0]=4 230 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_100000210375_100000730704 [0,2,0,0,0,0|1,0,0]=3 231 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_200000688413_100000210319 [0,2,0,0,0,0|1,0,0]=3 232 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCF 1458a_200009909015_100000730704 [0,2,0,0,0,0|2,0,0]=4 233 B16R0.3183 C=C(C)COC(C)CCCCCCCCCC 34a_100011215000_100000748629 [0,2,0,0,0,0|1,0,1]=4 234 B16R0.3183 C=C(C)COC(C)CCCCCCCCCC 7a_100011215000_100000748629 [0,2,0,0,0,0|1,0,1]=4 235 B16R0.3183 CC(C)CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210312 [0,2,0,0,0,0|2,0,0]=4 236 B16R0.3183 CCCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210319 [0,2,0,0,0,0|1,0,0]=3 237 B16R0.3183 CCCCCCCCCCC(=O)CC=C(C)C 1458a_100000210375_100000761012 [0,2,0,0,0,0|1,0,1]=4 238 B16R0.3183 CCCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210319 [0,2,0,0,0,0|1,0,1]=4 239 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210319 [0,2,0,0,0,0|1,0,0]=3 240 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000210375_100000210312 [0,2,0,0,0,0|1,0,0]=3 241 B16R0.3183 CCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210319 [0,2,0,0,0,0|0,1,0]=3 242 B16R0.3183 CCCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210319 [0,2,0,0,0,0|1,1,0]=4 243 B16R0.3183 CCCCCCCCCCC(C)OCC(C)C 34a_100011215000_100000210624 [0,2,0,0,0,0|1,0,1]=4 244 B16R0.3183 CCCCCCCCCCC(C)OCC(C)C 7a_100011215000_100000210760 [0,2,0,0,0,0|1,0,1]=4 245 B16R0.3183 CCCCCCCCCCC(C)OCC(F)F 34a_100011215000_100011934356 [0,2,0,0,0,0|1,0,1]=4 246 B16R0.3183 CCCCCCCCCCC(C)OCC(F)F 7a_100011215000_100011934356 [0,2,0,0,0,0|1,0,1]=4 247 B16R1.18044 CCCCCCCCCCC(C)OC1CC1 34a_100011215000_100000211595 [0,1,0,1,0,0|1,0,1]=4 248 B16R1.18167 CC(C)OC1CCCCCCCCCCC1 34a_100000211378_100000210206 [0,1,0,1,0,0|1,0,1]=4 249 B16R1.18167 CC(C)OC1CCCCCCCCCCC1 7a_100000211378_100000210206 [0,1,0,1,0,0|1,0,1]=4 250 B16R1.7352 CCCOC1CCCCCCCCCCC1 34a_100000211378_100000210303 [0,1,0,1,0,0|1,0,1]=4 251 B16R1.7352 CCCOC1CCCCCCCCCCC1 7a_100000211378_100000210303 [0,1,0,1,0,0|1,0,1]=4 252 B16R1.7352 CSCOC1CCCCCCCCCCC1 34a_100000211378_100011218213 [0,1,0,1,0,0|1,0,1]=4