0 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 C#CCNCC(=C)C 34a_100000212058_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.4 C#CCOCC(=C)C 34a_100000210245_100000184674 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 C#CCOCC(=C)C 34a_100000210247_100000748629 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.4 C#CCSCC(=C)C 62a_100000038162_100000211660 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,0,0,0,0|0,0,4]=4 25 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.4 C=C(C)CSCC#N 62a_100000748629_100011215382 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.4 C=C(C)CSCC#N 62a_100011215382_100000211660 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,0,0,0,0|2,0,1]=3 73 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,0,0,0,0|0,0,2]=2 83 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,0,0,0,0|0,0,2]=2 84 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,0,0,0,0|0,0,2]=2 85 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,0,0,0,0|1,0,2]=3 88 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,0,0,0,0|1,0,2]=3 89 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,0,0,0,0|1,0,2]=3 90 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,0,0,0,0|1,0,2]=3 91 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,0,0,0,0,0|2,0,2]=4 92 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,0,0,0,0,0|2,0,2]=4 97 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,0,0,0,0,0|1,0,2]=3 99 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,0,0,0,0,0|2,0,2]=4 101 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,0,0,0,0,0|1,0,2]=3 104 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,0,0,0,0,0|2,0,2]=4 106 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,0,0,0,0,0|1,0,2]=3 107 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,0,0,0,0,0|2,0,2]=4 108 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,0,0,0,0|1,0,2]=3 110 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,0,0,0,0,0|1,0,2]=3 111 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,0,0,0,0,0|1,0,2]=3 112 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,0,0,0,0,0|1,0,2]=3 113 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,0,0,0,0,0|1,0,2]=3 120 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,0,0,0,0|1,0,1]=2 121 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,0,0,0,0|1,0,1]=2 122 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,0,0,0,0|1,0,0]=1 123 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,0,0,0,0|1,0,0]=1 124 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,0,0,0,0|1,0,0]=1 125 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,0,0,0,0|1,0,0]=1 126 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,0,0,0,0|1,0,0]=1 127 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,0,0,0,0|1,0,0]=1 128 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,0,0,0,0|1,0,0]=1 129 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,0,0,0,0|2,0,0]=2 131 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,0,0,0,0|2,0,0]=2 132 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,0,0,0,0|2,0,1]=3 135 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,0,0,0,0|2,0,0]=2 136 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,0,0,0,0|2,0,0]=2 137 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,0,0,0,0|2,0,0]=2 138 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,0,0,0,0,0|2,0,1]=3 139 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,0,0,0,0,0|2,0,1]=3 140 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,0,0,0,0,0|2,0,1]=3 141 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,0,0,0,0,0|2,0,1]=3 142 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,0,0,0,0|2,0,0]=2 144 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,0,0,0,0|2,0,0]=2 145 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,0,0,0,0|2,0,0]=2 146 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,0,0,0,0|2,0,0]=2 148 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,0,0,0,0|2,0,0]=2 149 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,0,0,0,0|2,0,0]=2 150 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,0,0,0,0|2,0,0]=2 151 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,0,0,0,0|2,0,0]=2 152 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,0,0,0,0|2,0,0]=2 153 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,0,0,0,0|3,0,0]=3 154 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,0,0,0,0|2,0,0]=2 155 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,0,0,0,0|2,0,0]=2 156 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,0,0,0,0,0|3,0,0]=3 158 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,0,0,0,0,0|2,0,1]=3 162 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,0,0,0,0,0|2,0,1]=3 165 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,0,0,0,0,0|3,0,1]=4 168 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,0,0,0,0,0|3,0,1]=4 169 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,0,0,0,0,0|3,0,1]=4 184 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,0,0,0,0,0|3,0,1]=4 187 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,0,0,0,0,0|3,0,1]=4 200 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,0,0,0,0,0|3,0,1]=4 201 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,0,0,0,0,0|3,0,1]=4 202 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,0,0,0,0,0|3,0,1]=4 204 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,0,0,0,0,0|3,0,1]=4 205 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,0,0,0,0,0|3,0,1]=4 207 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,0,0,0,0,0|3,0,1]=4 209 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,0,0,0,0,0|3,0,1]=4 211 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,0,0,0,0,0|3,0,1]=4 214 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,0,0,0,0|1,0,2]=3 219 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,0,0,0,0|1,0,2]=3 220 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,0,0,0,0,0|2,0,2]=4 221 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,0,0,0,0,0|2,0,2]=4 222 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,0,0,0,0,0|2,0,2]=4 223 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,0,0,0,0,0|2,0,2]=4 224 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,0,0,0,0,0|2,0,2]=4 225 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,0,0,0,0,0|2,0,2]=4 226 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,0,0,0,0,0|2,0,2]=4 227 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,0,0,0,0,0|2,0,2]=4 228 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,0,0,0,0,0|2,0,2]=4 229 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,0,0,0,0,0|2,0,2]=4 230 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,0,0,0,0,0|2,0,2]=4 231 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,0,0,0,0,0|2,0,2]=4 232 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,0,0,0,0,0|2,0,2]=4 233 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,0,0,0,0,0|2,0,2]=4 234 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,0,0,0,0,0|2,0,2]=4 235 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,0,0,0,0|0,0,2]=2 236 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,0,0,0,0|0,0,2]=2 237 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,0,0,0,0|0,0,2]=2 238 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,0,0,0,0,0|2,0,2]=4 239 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,0,0,0,0,0|2,0,2]=4 240 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,0,0,0,0|0,0,2]=2 241 B7R0.4 CCC#CCN(C)C 2230a_100102631434_100009813939 [0,0,0,0,0,0|2,0,2]=4 242 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,0,0,0,0|2,0,1]=3 243 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,0,0,0,0|0,0,2]=2 244 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,0,0,0,0|0,0,2]=2 245 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,0,0,0,0|0,0,2]=2 246 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,0,0,0,0|0,0,2]=2 247 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,0,0,0,0|0,0,0]=0 248 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,0,0,0,0|0,0,0]=0 249 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,0,0,0,0|0,0,0]=0 250 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,0,0,0,0|2,0,0]=2 251 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,0,0,0,0|2,0,0]=2 252 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,0,0,0,0|2,0,0]=2 253 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,0,0,0,0|2,0,0]=2 254 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,0,0,0,0|2,0,0]=2 255 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,0,0,0,0|2,0,0]=2 256 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,0,0,0,0|1,0,0]=1 257 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,0,0,0,0|1,0,0]=1 258 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,0,0,0,0|1,0,0]=1 259 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,0,0,0,0|1,0,0]=1 260 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,0,0,0,0,0|2,0,1]=3 261 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,0,0,0,0,0|2,0,1]=3 262 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,0,0,0,0,0|2,0,1]=3 263 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,0,0,0,0,0|2,0,1]=3 264 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,0,0,0,0,0|2,0,1]=3 265 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,0,0,0,0,0|2,0,1]=3 266 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,0,0,0,0,0|2,0,1]=3 267 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,0,0,0,0,0|2,0,1]=3 268 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,0,0,0,0,0|2,0,1]=3 269 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,0,0,0,0|2,0,0]=2 270 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,0,0,0,0|2,0,0]=2 271 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,0,0,0,0,0|2,0,1]=3 272 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,0,0,0,0,0|2,0,1]=3 273 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,0,0,0,0,0|2,0,1]=3 274 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,0,0,0,0|1,0,2]=3 275 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,0,0,0,0|1,0,2]=3 276 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,0,0,0,0,0|3,0,1]=4 277 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,0,0,0,0|2,0,0]=2 278 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,0,0,0,0|1,0,0]=1 279 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,0,0,0,0|1,0,0]=1 280 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,0,0,0,0|2,0,0]=2 281 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,0,0,0,0|1,0,0]=1 282 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,0,0,0,0|2,0,0]=2 283 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,0,0,0,0,0|2,0,1]=3 284 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,0,0,0,0,0|2,0,1]=3 285 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,0,0,0,0,0|2,0,1]=3 286 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,0,0,0,0,0|2,0,1]=3 287 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,0,0,0,0|1,0,2]=3 288 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,0,0,0,0,0|3,0,1]=4 289 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,0,0,0,0,0|3,0,1]=4 290 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,0,0,0,0,0|2,0,1]=3 291 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,0,0,0,0,0|2,0,1]=3 292 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,0,0,0,0|1,0,2]=3 293 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,0,0,0,0|3,0,0]=3 294 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,0,0,0,0|1,0,0]=1 295 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,0,0,0,0|2,0,0]=2 296 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,0,0,0,0|2,0,0]=2 297 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,0,0,0,0|1,0,0]=1 298 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,0,0,0,0|2,0,0]=2 299 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,0,0,0,0|2,0,0]=2 300 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,0,0,0,0,0|2,0,1]=3 301 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,0,0,0,0,0|2,0,1]=3 302 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,0,0,0,0|1,0,2]=3 303 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,0,0,0,0|1,0,2]=3 304 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,0,0,0,0,0|3,0,1]=4 305 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,0,0,0,0|1,0,2]=3 307 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,0,0,0,0|1,0,2]=3 308 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,0,0,0,0|3,0,0]=3 309 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,0,0,0,0,0|2,0,1]=3 310 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,0,0,0,0,0|2,0,1]=3 311 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,0,0,0,0|2,0,0]=2 312 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,0,0,0,0,0|2,0,1]=3 313 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,0,0,0,0,0|2,0,1]=3 314 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,0,0,0,0|1,0,2]=3 315 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,0,0,0,0|1,0,2]=3 316 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,0,0,0,0,0|3,0,1]=4 317 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,0,0,0,0|3,0,0]=3 318 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,0,0,0,0|1,0,2]=3 319 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,0,0,0,0|1,0,2]=3 320 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,0,0,0,0|2,0,1]=3 321 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,0,0,0,0|2,0,1]=3 322 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,0,0,0,0|1,0,0]=1 323 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,0,0,0,0|1,0,0]=1 324 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,0,0,0,0|1,0,0]=1 325 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,0,0,0,0|1,0,0]=1 326 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,0,0,0,0|2,0,0]=2 327 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,0,0,0,0|2,0,0]=2 328 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,0,0,0,0|2,0,0]=2 329 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,0,0,0,0|1,0,0]=1 330 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,0,0,0,0,0|2,0,1]=3 331 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,0,0,0,0,0|2,0,1]=3 332 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,0,0,0,0,0|2,0,1]=3 333 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,0,0,0,0,0|2,0,1]=3 334 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,0,0,0,0|1,0,2]=3 335 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,0,0,0,0,0|3,0,1]=4 336 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,0,0,0,0,0|3,0,0]=3 337 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,0,0,0,0,0|3,0,0]=3 338 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,0,0,0,0,0|2,0,1]=3 339 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,0,0,0,0|2,0,0]=2 340 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,0,0,0,0,0|3,0,1]=4 341 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,0,0,0,0,0|3,0,1]=4 342 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,0,0,0,0,0|3,0,1]=4 343 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,0,0,0,0,0|2,0,1]=3 344 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,0,0,0,0,0|2,0,1]=3 345 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,0,0,0,0|1,0,0]=1 346 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,0,0,0,0|1,0,0]=1 347 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,0,0,0,0|1,0,0]=1 348 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,0,0,0,0|1,0,0]=1 349 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,0,0,0,0|2,0,0]=2 350 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,0,0,0,0|2,0,0]=2 351 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,0,0,0,0|1,0,0]=1 352 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,0,0,0,0,0|2,0,1]=3 353 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,0,0,0,0,0|2,0,1]=3 354 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,0,0,0,0|1,0,2]=3 355 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,0,0,0,0|1,0,2]=3 356 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,0,0,0,0,0|3,0,0]=3 357 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,0,0,0,0,0|3,0,0]=3 358 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,0,0,0,0,0|3,0,0]=3 359 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,0,0,0,0|2,0,0]=2 360 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,0,0,0,0|2,0,0]=2 361 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,0,0,0,0,0|3,0,1]=4 362 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,0,0,0,0,0|3,0,1]=4 363 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,0,0,0,0,0|3,0,1]=4 364 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,0,0,0,0,0|3,0,1]=4 365 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,0,0,0,0,0|3,0,1]=4 366 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,0,0,0,0,0|3,0,1]=4 367 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,0,0,0,0,0|3,0,0]=3 368 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,0,0,0,0,0|3,0,0]=3 369 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,0,0,0,0|3,0,0]=3 370 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,0,0,0,0|3,0,0]=3 371 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,0,0,0,0|3,0,0]=3 372 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,0,0,0,0|3,0,0]=3 373 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,0,0,0,0,0|3,0,0]=3 374 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,0,0,0,0,0|4,0,0]=4 375 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,0,0,0,0|3,0,0]=3 376 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,0,0,0,0|3,0,0]=3 377 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,0,0,0,0,0|2,0,1]=3 378 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,0,0,0,0,0|2,0,1]=3 379 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,0,0,0,0,0|2,0,1]=3 380 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,0,0,0,0,0|3,0,1]=4 381 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,0,0,0,0,0|3,0,1]=4 382 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,0,0,0,0,0|3,0,1]=4 383 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,0,0,0,0|1,0,0]=1 384 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,0,0,0,0|1,0,0]=1 385 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,0,0,0,0|2,0,0]=2 386 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,0,0,0,0|2,0,0]=2 387 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,0,0,0,0|2,0,0]=2 388 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,0,0,0,0,0|2,0,1]=3 389 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,0,0,0,0,0|2,0,1]=3 390 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,0,0,0,0,0|2,0,1]=3 391 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,0,0,0,0,0|2,0,1]=3 392 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,0,0,0,0,0|2,0,1]=3 393 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,0,0,0,0|1,0,2]=3 394 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,0,0,0,0|1,0,2]=3 395 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,0,0,0,0|1,0,2]=3 396 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,0,0,0,0,0|3,0,0]=3 397 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,0,0,0,0,0|2,0,0]=2 398 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,0,0,0,0|2,0,0]=2 399 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,0,0,0,0|2,0,0]=2 400 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,0,0,0,0|2,0,0]=2 401 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,0,0,0,0|3,0,0]=3 402 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,0,0,0,0|3,0,0]=3 403 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,0,0,0,0|3,0,0]=3 404 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,0,0,0,0,0|2,0,0]=2 405 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,0,0,0,0,0|2,0,0]=2 406 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,0,0,0,0|3,0,0]=3 407 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,0,0,0,0|3,0,0]=3 408 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,0,0,0,0,0|3,0,1]=4 409 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,0,0,0,0,0|3,0,1]=4 410 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,0,0,0,0,0|3,0,1]=4 411 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,0,0,0,0,0|3,0,1]=4 412 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,0,0,0,0,0|3,0,1]=4 413 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,0,0,0,0,0|3,0,1]=4 414 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,0,0,0,0,0|3,0,1]=4 415 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,0,0,0,0,0|3,0,1]=4 416 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,0,0,0,0,0|3,0,1]=4 417 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,0,0,0,0,0|3,0,1]=4 418 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,0,0,0,0|1,0,2]=3 419 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,0,0,0,0|1,0,2]=3 420 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,0,0,0,0,0|2,0,1]=3 421 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,0,0,0,0,0|3,0,1]=4 422 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,0,0,0,0|1,0,0]=1 423 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,0,0,0,0|1,0,0]=1 424 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,0,0,0,0|1,0,0]=1 425 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,0,0,0,0|1,0,0]=1 426 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,0,0,0,0|1,0,0]=1 427 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,0,0,0,0|2,0,0]=2 428 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,0,0,0,0|1,0,0]=1 429 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,0,0,0,0,0|2,0,1]=3 430 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,0,0,0,0,0|2,0,1]=3 431 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,0,0,0,0,0|2,0,1]=3 432 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,0,0,0,0|1,0,2]=3 433 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,0,0,0,0,0|3,0,0]=3 434 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,0,0,0,0,0|3,0,0]=3 435 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,0,0,0,0,0|3,0,0]=3 436 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,0,0,0,0,0|3,0,0]=3 437 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,0,0,0,0,0|3,0,0]=3 438 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,0,0,0,0,0|3,0,0]=3 439 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,0,0,0,0,0|3,0,0]=3 440 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,0,0,0,0|2,0,0]=2 441 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,0,0,0,0|2,0,0]=2 442 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,0,0,0,0|2,0,0]=2 443 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,0,0,0,0|2,0,0]=2 444 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,0,0,0,0|3,0,0]=3 445 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,0,0,0,0,0|3,0,1]=4 446 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,0,0,0,0,0|3,0,1]=4 447 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,0,0,0,0,0|3,0,1]=4 448 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,0,0,0,0,0|3,0,1]=4 449 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,0,0,0,0,0|2,0,0]=2 450 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,0,0,0,0|3,0,0]=3 451 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,0,0,0,0|3,0,0]=3 452 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,0,0,0,0,0|3,0,1]=4 453 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,0,0,0,0,0|3,0,1]=4 454 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,0,0,0,0,0|3,0,1]=4 455 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,0,0,0,0,0|3,0,1]=4 456 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,0,0,0,0,0|3,0,1]=4 457 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,0,0,0,0,0|3,0,1]=4 458 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,0,0,0,0,0|3,0,1]=4 459 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,0,0,0,0,0|3,0,1]=4 460 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,0,0,0,0,0|3,0,1]=4 461 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,0,0,0,0,0|3,0,1]=4 462 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,0,0,0,0|3,0,0]=3 463 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,0,0,0,0|3,0,0]=3 464 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,0,0,0,0,0|3,0,1]=4 465 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,0,0,0,0,0|2,0,2]=4 466 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,0,0,0,0|3,0,0]=3 467 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,0,0,0,0|3,0,0]=3 468 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,0,0,0,0|3,0,0]=3 469 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,0,0,0,0|3,0,0]=3 470 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,0,0,0,0,0|3,0,1]=4 471 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,0,0,0,0,0|3,0,1]=4 472 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,0,0,0,0,0|2,0,2]=4 473 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,0,0,0,0,0|2,0,2]=4 474 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,0,0,0,0,0|2,0,2]=4 475 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,0,0,0,0,0|2,0,2]=4 476 B7R0.4 COCSC[N+](=O)[O-] 62a_100000766300_100000761209 [0,0,0,0,0,0|4,0,0]=4 477 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,0,0,0,0,0|2,0,0]=2 478 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,0,0,0,0,0|2,0,1]=3 479 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,0,0,0,0,0|2,0,1]=3 480 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,0,0,0,0,0|3,0,1]=4 481 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,0,0,0,0,0|3,0,1]=4 482 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,0,0,0,0|1,0,0]=1 483 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,0,0,0,0|1,0,0]=1 484 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,0,0,0,0|1,0,0]=1 485 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,0,0,0,0|2,0,0]=2 486 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,0,0,0,0|2,0,0]=2 487 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,0,0,0,0|1,0,0]=1 488 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,0,0,0,0,0|2,0,1]=3 489 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,0,0,0,0,0|2,0,1]=3 490 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,0,0,0,0|1,0,2]=3 491 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,0,0,0,0|1,0,2]=3 492 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,0,0,0,0,0|3,0,0]=3 493 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,0,0,0,0|2,0,0]=2 494 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,0,0,0,0|2,0,0]=2 495 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,0,0,0,0|2,0,0]=2 496 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,0,0,0,0|2,0,0]=2 497 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,0,0,0,0|2,0,0]=2 498 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,0,0,0,0|2,0,0]=2 499 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,0,0,0,0|3,0,0]=3 500 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,0,0,0,0|3,0,0]=3 501 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,0,0,0,0,0|3,0,1]=4 502 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,0,0,0,0,0|3,0,1]=4 503 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,0,0,0,0,0|3,0,1]=4 504 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,0,0,0,0|2,0,0]=2 505 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,0,0,0,0|2,0,0]=2 506 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,0,0,0,0|3,0,0]=3 507 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,0,0,0,0|3,0,0]=3 508 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,0,0,0,0,0|3,0,1]=4 509 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,0,0,0,0,0|3,0,1]=4 510 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,0,0,0,0,0|3,0,1]=4 511 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,0,0,0,0,0|3,0,1]=4 512 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,0,0,0,0,0|3,0,1]=4 513 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,0,0,0,0,0|3,0,1]=4 514 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,0,0,0,0,0|3,0,1]=4 515 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,0,0,0,0,0|3,0,1]=4 516 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,0,0,0,0,0|3,0,1]=4 517 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,0,0,0,0|3,0,0]=3 518 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,0,0,0,0|3,0,0]=3 519 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,0,0,0,0,0|3,0,1]=4 520 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,0,0,0,0,0|3,0,1]=4 521 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,0,0,0,0,0|2,0,2]=4 522 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,0,0,0,0,0|2,0,2]=4 523 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,0,0,0,0|2,0,0]=2 524 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,0,0,0,0,0|3,0,1]=4 525 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,0,0,0,0,0|3,0,1]=4 526 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,0,0,0,0,0|3,0,1]=4 527 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,0,0,0,0,0|3,0,1]=4 528 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,0,0,0,0,0|3,0,1]=4 529 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,0,0,0,0|3,0,0]=3 530 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,0,0,0,0|3,0,0]=3 531 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,0,0,0,0|3,0,0]=3 532 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,0,0,0,0|3,0,0]=3 533 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,0,0,0,0,0|3,0,1]=4 534 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,0,0,0,0,0|3,0,1]=4 535 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,0,0,0,0,0|2,0,2]=4 536 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,0,0,0,0,0|2,0,2]=4 537 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,0,0,0,0,0|2,0,2]=4 538 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,0,0,0,0,0|2,0,2]=4 539 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,0,0,0,0,0|4,0,0]=4 540 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,0,0,0,0,0|3,0,1]=4 541 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,0,0,0,0,0|3,0,1]=4 542 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,0,0,0,0,0|3,0,1]=4 543 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,0,0,0,0,0|3,0,1]=4 544 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,0,0,0,0,0|3,0,1]=4 545 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,0,0,0,0,0|2,0,2]=4 546 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,0,0,0,0,0|2,0,2]=4 547 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,0,0,0,0,0|2,0,2]=4 548 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,0,0,0,0,0|2,0,2]=4 549 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,0,0,0,0,0|2,0,2]=4 550 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,0,0,0,0,0|2,0,2]=4 551 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,0,0,0,0,0|2,0,2]=4 552 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,0,0,0,0,0|2,0,2]=4 553 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,0,0,0,0,0|2,0,2]=4 554 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,0,0,0,0,0|3,0,1]=4 555 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,0,0,0,0|3,0,1]=4 556 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,0,0,0,0,0|3,0,1]=4 557 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,0,0,0,0,0|3,0,1]=4 558 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,0,0,0,0,0|3,0,1]=4 559 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,0,0,0,0,0|3,0,1]=4 560 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,0,0,0,0|3,0,0]=3 561 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,0,0,0,0|3,0,0]=3 562 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,0,0,0,0|3,0,0]=3 563 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,0,0,0,0|3,0,0]=3 564 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,0,0,0,0,0|3,0,1]=4 565 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,0,0,0,0|3,0,0]=3 566 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,0,0,0,0|3,0,0]=3 567 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,0,0,0,0|3,0,0]=3 568 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,0,0,0,0|3,0,0]=3 569 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,0,0,0,0|3,0,0]=3 570 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,0,0,0,0|3,0,0]=3 571 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,0,0,0,0,0|3,0,1]=4 572 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,0,0,0,0,0|3,0,1]=4 573 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,0,0,0,0|3,0,0]=3 574 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,0,0,0,0|3,0,0]=3 575 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,0,0,0,0|3,0,0]=3 576 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,0,0,0,0|3,0,0]=3 577 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,0,0,0,0|3,0,0]=3 578 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,0,0,0,0|3,0,0]=3 579 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,0,0,0,0,0|4,0,0]=4 580 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,0,0,0,0|3,0,0]=3 581 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,0,0,0,0|3,0,0]=3 582 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,0,0,0,0|4,0,0]=4 583 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,0,0,0,0|3,0,0]=3 584 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,0,0,0,0|3,0,0]=3 585 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,0,0,0,0|3,0,0]=3 586 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,0,0,0,0|3,0,0]=3 587 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,0,0,0,0|3,0,0]=3 588 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,0,0,0,0|3,0,0]=3 589 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,0,0,0,0|3,0,0]=3 590 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,0,0,0,0|3,0,1]=4 591 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,0,0,0,0,0|3,0,1]=4 592 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,0,0,0,0,0|3,0,1]=4 593 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,0,0,0,0,0|4,0,0]=4 594 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,0,0,0,0,0|4,0,0]=4 595 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,0,0,0,0,0|4,0,0]=4 596 B7R0.4 O=[N+]([O-])CSCCF 62a_100011217306_100000761209 [0,0,0,0,0,0|4,0,0]=4 597 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,0,0,0,0,0|4,0,0]=4 598 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,0,0,0,0|1,0,1]=2 599 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,0,0,0,0|1,0,0]=1 600 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,0,0,0,0,0|3,0,0]=3 601 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,0,0,0,0|2,0,0]=2 602 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,0,0,0,0,0|2,0,1]=3 603 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,0,0,0,0|2,0,0]=2 604 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,0,0,0,0|3,0,0]=3 605 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,0,0,0,0,0|3,0,0]=3 606 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,0,0,0,0|3,0,0]=3 607 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,0,0,0,0|3,0,0]=3 608 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,0,0,0,0,0|3,0,1]=4 609 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,0,0,0,0,0|3,0,1]=4 610 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,0,0,0,0|2,0,0]=2 611 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,0,0,0,0|2,0,0]=2 612 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,0,0,0,0|3,0,0]=3 613 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,0,0,0,0|3,0,0]=3 614 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,0,0,0,0|3,0,0]=3 615 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,0,0,0,0|3,0,0]=3 616 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|0,0,2]=3 617 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|0,0,2]=3 618 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|0,0,2]=3 619 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 620 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 621 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 622 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|1,0,2]=4 623 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|0,0,2]=3 624 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|2,0,1]=4 625 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 627 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|2,0,0]=3 628 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|2,0,0]=3 629 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|2,0,0]=3 630 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|2,0,0]=3 631 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|2,0,0]=3 632 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|2,0,0]=3 633 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|2,0,0]=3 634 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|2,0,0]=3 635 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|2,0,0]=3 636 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|2,0,0]=3 637 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|2,0,0]=3 638 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|2,0,0]=3 639 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,0,0,0,0,0|3,0,0]=4 640 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|2,0,0]=3 641 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|2,0,0]=3 642 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,0,0,0,0,0|3,0,0]=4 643 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,0,0,0,0,0|3,0,0]=4 644 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|2,0,1]=4 645 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|2,0,1]=4 646 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|2,0,1]=4 647 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|2,0,1]=4 648 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|2,0,1]=4 649 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|0,0,2]=3 650 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|0,0,2]=3 651 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|0,0,2]=3 652 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 653 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 654 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|1,0,2]=4 655 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|0,0,2]=3 656 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,1]=4 657 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|2,0,1]=4 658 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|2,0,1]=4 659 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|2,0,1]=4 660 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,2]=4 661 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|1,0,1]=3 662 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|1,0,1]=3 663 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|1,0,0]=2 664 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,0]=2 665 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,0]=2 666 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,0]=2 667 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|1,0,0]=2 668 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|1,0,0]=2 669 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|2,0,0]=3 670 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 671 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 672 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 673 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 674 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 675 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,0]=3 676 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 677 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 678 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|2,0,0]=3 679 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|2,0,0]=3 680 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|2,0,1]=4 681 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|2,0,1]=4 682 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|2,0,1]=4 683 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|2,0,1]=4 684 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|2,0,1]=4 685 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|1,0,2]=4 686 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|1,0,2]=4 687 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|1,0,2]=4 688 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|0,0,2]=3 689 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|0,0,2]=3 690 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|0,0,2]=3 691 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 692 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|0,0,2]=3 693 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|0,0,2]=3 694 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|0,0,2]=3 695 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|0,0,2]=3 696 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|0,0,0]=1 697 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|0,0,0]=1 698 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|0,0,0]=1 699 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 700 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 701 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 702 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 703 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 704 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 705 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 706 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 707 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 708 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,0]=2 709 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 710 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 711 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 712 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 713 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 714 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 715 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 716 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 717 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,0]=3 718 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 719 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,1]=4 720 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,1]=4 721 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 722 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|1,0,2]=4 723 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|1,0,2]=4 724 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|1,0,2]=4 725 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|1,0,2]=4 726 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|2,0,0]=3 727 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|1,0,0]=2 728 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|1,0,0]=2 729 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 730 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|1,0,0]=2 731 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|2,0,0]=3 732 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|2,0,1]=4 733 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,1]=4 734 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,1]=4 735 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|2,0,1]=4 736 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|1,0,2]=4 737 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|3,0,0]=4 738 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|2,0,1]=4 739 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|2,0,1]=4 740 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|1,0,2]=4 741 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|3,0,0]=4 742 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|1,0,0]=2 743 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 744 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 745 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|1,0,0]=2 746 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|2,0,0]=3 747 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|2,0,0]=3 748 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,0,1]=4 749 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,0,1]=4 750 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|1,0,2]=4 751 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|1,0,2]=4 752 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|1,0,2]=4 753 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|1,0,2]=4 754 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|3,0,0]=4 755 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 756 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 757 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 758 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 759 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 760 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 761 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|3,0,0]=4 762 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 763 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 764 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 765 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,1]=4 766 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,1]=4 767 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,1]=4 768 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,0]=2 769 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 770 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 771 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 772 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,1]=4 773 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,1]=4 774 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,1]=4 775 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,1]=4 776 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 777 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|1,0,2]=4 778 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|1,0,2]=4 779 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 780 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 781 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,0]=3 782 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|3,0,0]=4 783 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|1,0,2]=4 784 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|1,0,2]=4 785 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|2,0,1]=4 786 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|2,0,1]=4 787 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,0]=2 788 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,0]=2 789 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,0]=2 790 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,0]=2 791 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 792 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 793 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 794 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,0]=2 795 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|2,0,1]=4 796 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|2,0,1]=4 797 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|2,0,1]=4 798 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|2,0,1]=4 799 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|1,0,2]=4 800 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 801 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|3,0,0]=4 802 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 803 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|3,0,0]=4 804 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 805 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 806 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,1]=4 807 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|2,0,0]=3 808 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|2,0,1]=4 809 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|2,0,1]=4 810 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|1,0,0]=2 811 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|1,0,0]=2 812 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|1,0,0]=2 813 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|1,0,0]=2 814 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 815 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 816 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|1,0,0]=2 817 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|2,0,1]=4 818 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|2,0,1]=4 819 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|1,0,2]=4 820 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|1,0,2]=4 821 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 822 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|3,0,0]=4 823 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 824 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|3,0,0]=4 825 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|3,0,0]=4 826 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 827 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 828 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|2,0,0]=3 829 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|2,0,0]=3 830 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,1]=4 831 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 832 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 833 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|3,0,0]=4 834 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|3,0,0]=4 835 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|3,0,0]=4 836 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,2]=4 837 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|1,0,1]=3 838 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|3,0,0]=4 839 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 840 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 841 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 842 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 843 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,0,0,0,0,0|1,0,2]=4 844 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,0,0,0,0,0|1,0,2]=4 845 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,0,0,0,0,0|1,0,2]=4 846 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,0,0,0,0,0|1,0,2]=4 847 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,0,0,0,0,0|1,0,2]=4 848 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,0,0,0,0,0|1,0,2]=4 849 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,0,0,0,0,0|1,0,2]=4 850 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,0,0,0,0,0|1,0,2]=4 851 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,0,0,0,0,0|1,0,2]=4 852 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,0,0,0,0,0|1,0,2]=4 853 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,0,0,0,0,0|1,0,2]=4 854 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,0,0,0,0,0|1,0,2]=4 855 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,0,0,0,0,0|1,0,2]=4 856 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,0,0,0,0,0|1,0,2]=4 857 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,0,0,0,0,0|1,0,2]=4 858 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,0,0,0,0,0|1,0,2]=4 859 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|1,0,2]=4 860 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|1,0,2]=4 861 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|1,0,2]=4 862 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|1,0,2]=4 863 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,0,0,0,0,0|1,0,2]=4 864 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,0,0,0,0,0|1,0,2]=4 865 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,0,0,0,0,0|1,0,2]=4 866 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,0,0,0,0,0|1,0,2]=4 867 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,0,0,0,0,0|1,0,2]=4 868 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,0,0,0,0,0|1,0,2]=4 869 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|1,0,2]=4 870 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|1,0,1]=3 871 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|1,0,1]=3 872 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,1]=3 873 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,1]=3 874 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|2,0,1]=4 875 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,0,1]=3 876 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,0,1]=3 877 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|2,0,1]=4 878 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|2,0,1]=4 879 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|1,0,1]=3 880 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|1,0,1]=3 881 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|1,0,1]=3 882 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|1,0,1]=3 883 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|1,0,1]=3 884 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|1,0,1]=3 885 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|1,0,1]=3 886 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|1,0,1]=3 887 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|1,0,1]=3 888 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|1,0,1]=3 889 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|1,0,1]=3 890 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|1,0,1]=3 891 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|1,0,1]=3 892 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|1,0,1]=3 893 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|1,0,1]=3 894 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|1,0,1]=3 895 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|1,0,1]=3 896 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|1,0,1]=3 897 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,0,1]=3 898 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,0,1]=3 899 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,0,0,0,0|2,0,1]=4 900 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|1,0,1]=3 901 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|1,0,1]=3 902 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,0,0,0,0|2,0,1]=4 903 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,0,0,0,0|2,0,1]=4 904 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,0,0,0,0|1,0,2]=4 905 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|1,0,1]=3 906 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,0,0,0,0|2,0,1]=4 907 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,0,0,0,0|2,0,1]=4 908 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|2,0,1]=4 909 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|2,0,1]=4 910 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|2,0,1]=4 911 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,0,0,0,0|2,0,1]=4 912 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,0,0,0,0|2,0,1]=4 913 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,0,0,0,0|1,0,2]=4 914 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,0,0,0,0|2,0,1]=4 915 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|1,0,1]=3 916 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|1,0,1]=3 917 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,0,0,0,0|2,0,1]=4 918 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|2,0,1]=4 919 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|2,0,1]=4 920 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,0,0,0,0|2,0,1]=4 921 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,0,0,0,0|1,0,2]=4 922 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,0,0,0,0|1,0,2]=4 923 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|1,0,1]=3 924 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|1,0,1]=3 925 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|2,0,1]=4 926 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|2,0,1]=4 927 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|2,0,1]=4 928 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|2,0,1]=4 929 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,0,0,0,0,0|2,0,1]=4 930 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,0,0,0,0,0|2,0,1]=4 931 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|2,0,1]=4 932 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|2,0,1]=4 933 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,0,0,0,0|2,0,1]=4 934 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,0,0,0,0|2,0,1]=4 935 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,0,0,0,0|2,0,1]=4 936 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,0,0,0,0|2,0,1]=4 937 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,0,0,0,0|2,0,1]=4 938 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,0,0,0,0|2,0,1]=4 939 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,0,1]=4 940 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,0,1]=4 941 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,0,1]=4 942 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,0,1]=4 943 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [1,0,0,0,0,0|1,0,2]=4 944 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [1,0,0,0,0,0|1,0,2]=4 945 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,0,0,0,0,0|1,0,2]=4 946 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,0,0,0,0,0|1,0,2]=4 947 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,0,0,0,0,0|1,0,2]=4 948 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|1,0,2]=4 949 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|1,0,2]=4 950 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,0,0,0,0,0|1,0,2]=4 951 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,0,0,0,0,0|1,0,2]=4 952 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|1,0,2]=4 953 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|1,0,2]=4 954 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|1,0,2]=4 955 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,0,2]=4 956 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,0,2]=4 957 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,0,2]=4 958 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,2]=4 959 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,2]=4 960 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,2]=4 961 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,2]=4 962 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|1,0,1]=3 963 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,1]=3 964 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,0,1]=3 965 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,0,1]=3 966 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|2,0,1]=4 967 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|2,0,1]=4 968 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,0]=3 969 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,0,0,0,0|3,0,0]=4 970 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,0,0,0,0,0|1,0,2]=4 971 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,0,0,0,0,0|1,0,2]=4 972 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,0,0,0,0,0|1,0,2]=4 973 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|1,0,2]=4 974 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|1,0,2]=4 975 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|1,0,2]=4 976 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|1,0,2]=4 977 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|1,0,2]=4 978 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|1,0,2]=4 979 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|1,0,2]=4 980 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|1,0,0]=2 981 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|1,0,0]=2 982 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|1,0,0]=2 983 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|1,0,0]=2 984 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|1,0,0]=2 985 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,0,0]=2 986 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,0,0]=2 987 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,0,0]=2 988 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,0,0]=2 989 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,0,0]=2 990 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,0]=2 991 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,0]=2 992 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,0]=2 993 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,0]=2 994 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,1]=3 995 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,1]=3 996 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,1]=3 997 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|2,0,1]=4 998 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 999 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,1]=3 1000 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 1001 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 1002 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 1003 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,0,1]=3 1004 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,0,1]=3 1005 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,1]=4 1006 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,1]=4 1007 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,1]=4 1008 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|1,0,2]=4 1009 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|1,0,2]=4 1010 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,0,0]=2 1011 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 1012 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|1,0,1]=3 1013 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,0,1]=4 1014 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|2,0,1]=4 1015 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,0,2]=4 1016 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,0]=3 1017 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|2,0,1]=4 1018 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|2,0,1]=4 1019 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,0]=2 1020 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,0]=2 1021 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|1,0,1]=3 1022 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|2,0,1]=4 1023 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|2,0,1]=4 1024 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,2]=4 1025 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,2]=4 1026 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|2,0,0]=3 1027 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|2,0,0]=3 1028 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,0]=3 1029 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,0]=3 1030 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,0,0,0,0,0|2,0,1]=4 1031 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 1032 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,1]=4 1033 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 1034 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|1,0,2]=4 1035 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|2,0,0]=3 1036 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|2,0,0]=3 1037 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|2,0,0]=3 1038 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|2,0,0]=3 1039 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,1]=4 1040 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,1]=4 1041 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,1]=4 1042 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,1]=4 1043 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,1]=4 1044 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,0,2]=4 1045 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,0]=3 1046 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,0]=3 1047 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,0]=3 1048 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,0]=3 1049 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,0]=3 1050 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,0]=3 1051 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,0]=3 1052 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,0]=3 1053 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,0]=3 1054 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,0]=3 1055 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,0]=3 1056 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,0]=3 1057 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|3,0,0]=4 1058 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,0]=3 1059 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,0]=3 1060 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 1061 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,0]=3 1062 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,0]=3 1063 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,0]=3 1064 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,0]=3 1065 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,0]=3 1066 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,0]=3 1067 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,1]=4 1068 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,1]=4 1069 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 1070 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 1071 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,1]=4 1072 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,1]=4 1073 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,0,2]=4 1074 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,0,2]=4 1075 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|2,0,0]=3 1076 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|2,0,0]=3 1077 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|2,0,0]=3 1078 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|2,0,0]=3 1079 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|2,0,0]=3 1080 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,0]=3 1081 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,0]=3 1082 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,0]=3 1083 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,0]=3 1084 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,0]=3 1085 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,0]=3 1086 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,0]=3 1087 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,0]=3 1088 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,0]=3 1089 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,0]=3 1090 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,0]=3 1091 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,0]=3 1092 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,0]=3 1093 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 1094 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 1095 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|1,0,0]=2 1096 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|1,0,0]=2 1097 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|2,0,0]=3 1098 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|2,0,0]=3 1099 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|2,0,0]=3 1100 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|2,0,0]=3 1101 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|2,0,0]=3 1102 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,0]=3 1103 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|2,0,0]=3 1104 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|2,0,0]=3 1105 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|2,0,0]=3 1106 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|2,0,0]=3 1107 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|2,0,0]=3 1108 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|2,0,0]=3 1109 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|2,0,0]=3 1110 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|2,0,0]=3 1111 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1112 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|2,0,0]=3 1113 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|2,0,0]=3 1114 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|2,0,0]=3 1115 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|2,0,0]=3 1116 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|2,0,0]=3 1117 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|2,0,0]=3 1118 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|2,0,0]=3 1119 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,0]=3 1120 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|2,0,0]=3 1121 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|2,0,0]=3 1122 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|2,0,0]=3 1123 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|2,0,0]=3 1124 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|2,0,0]=3 1125 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|2,0,0]=3 1126 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|2,0,0]=3 1127 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|2,0,0]=3 1128 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|2,0,0]=3 1129 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|2,0,0]=3 1130 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|2,0,0]=3 1131 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|3,0,0]=4 1132 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,0,0,0,0|3,0,0]=4 1133 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,0,0,0,0|3,0,0]=4 1134 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1135 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|2,0,0]=3 1136 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|2,0,0]=3 1137 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,0,0,0,0,0|3,0,0]=4 1138 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,0,0,0,0,0|3,0,0]=4 1139 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|3,0,0]=4 1140 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|3,0,0]=4 1141 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,0,0,0,0,0|3,0,0]=4 1142 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|3,0,0]=4 1143 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|3,0,0]=4 1144 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,0,0,0,0,0|2,0,1]=4 1145 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,0,0,0,0,0|2,0,1]=4 1146 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|1,0,0]=2 1147 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|1,0,0]=2 1148 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,0]=3 1149 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,0]=3 1150 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|2,0,0]=3 1151 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|2,0,0]=3 1152 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1153 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|2,0,0]=3 1154 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|2,0,0]=3 1155 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 1156 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 1157 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|3,0,0]=4 1158 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|3,0,0]=4 1159 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,0,0,0,0,0|3,0,0]=4 1160 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1161 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|3,0,0]=4 1162 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,0,0,0,0,0|3,0,0]=4 1163 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,0,0,0,0,0|3,0,0]=4 1164 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|2,0,0]=3 1165 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|2,0,0]=3 1166 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|3,0,0]=4 1167 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|3,0,0]=4 1168 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|3,0,0]=4 1169 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|3,0,0]=4 1170 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,0,0,0,0,0|3,0,0]=4 1171 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,0,0,0,0,0|2,0,1]=4 1172 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,0,0,0,0,0|2,0,1]=4 1173 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,0,0,0,0|2,0,0]=3 1174 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,0,0,0,0|2,0,0]=3 1175 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|2,0,0]=3 1176 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|2,0,0]=3 1177 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,0,0,0,0|2,0,0]=3 1178 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,0,0,0,0,0|2,0,1]=4 1179 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,0]=3 1180 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,0]=3 1181 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,0]=3 1182 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,0]=3 1183 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|2,0,0]=3 1184 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,0]=3 1185 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|2,0,0]=3 1186 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|2,0,0]=3 1187 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|2,0,0]=3 1188 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|2,0,0]=3 1189 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|2,0,0]=3 1190 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|2,0,0]=3 1191 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,0]=3 1192 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,0,0,0,0,0|2,0,1]=4 1193 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,0,0,0,0,0|2,0,1]=4 1194 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|1,0,0]=2 1195 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|1,0,0]=2 1196 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,0]=3 1197 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,0]=3 1198 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|2,0,0]=3 1199 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|2,0,0]=3 1200 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,0|1,0,1]=3 1201 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,0|2,0,1]=4 1202 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,1,0,0,0,0|2,0,0]=3 1205 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,1,0,0,0,0|2,0,0]=3 1206 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,1,0,0,0,0|2,0,0]=3 1208 B8R0.5 C=C(C)CN(C)CCF 2230a_100000225649_100011217306 [0,1,0,0,0,0|3,0,0]=4 1209 B8R0.5 C=C(C)CN(C)CCF 269982a_100000225649_100011217306 [0,1,0,0,0,0|3,0,0]=4 1210 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 1211 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 1212 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 1213 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 1214 B8R0.5 C=C(C)CN(C)COC 2230a_100000225649_100000766300 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.5 C=C(C)CN(C)COC 269982a_100000225649_100000766300 [0,1,0,0,0,0|3,0,0]=4 1216 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,1,0,0,0,0|3,0,0]=4 1217 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,1,0,0,0,0|3,0,0]=4 1218 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|0,0,1]=2 1219 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|0,0,1]=2 1220 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,0|1,0,2]=4 1221 B8R0.5 C=C(F)CN(C)CCC 2230a_100000747261_100009893438 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.5 C=C(F)CN(C)CCC 269982a_100000747261_100009893438 [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,0|3,0,0]=4 1232 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,0|3,0,0]=4 1233 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,1,0,0,0,0|3,0,0]=4 1235 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,1,0,0,0,0|3,0,0]=4 1236 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,0|0,0,2]=3 1237 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,0|0,0,2]=3 1238 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,0|1,0,2]=4 1240 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,0|1,0,2]=4 1241 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|0,0,1]=2 1242 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|1,0,1]=3 1243 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|1,0,1]=3 1244 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|1,0,1]=3 1245 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,0|1,0,2]=4 1246 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,0|1,0,2]=4 1247 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|0,0,3]=4 1248 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,0,0,0,0|2,0,1]=4 1250 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|0,0,3]=4 1252 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,0|0,0,0]=1 1255 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,0|0,0,0]=1 1256 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,0|0,0,0]=1 1257 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,1,0,0,0,0|2,0,0]=3 1258 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,1,0,0,0,0|2,0,0]=3 1259 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,1,0,0,0,0|2,0,0]=3 1260 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,0|1,0,0]=2 1261 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,0|1,0,0]=2 1262 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,0|1,0,0]=2 1263 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,0|1,0,0]=2 1264 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,1,0,0,0,0|2,0,1]=4 1265 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,1,0,0,0,0|2,0,1]=4 1267 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,0|2,0,1]=4 1268 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,0|2,0,1]=4 1269 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,0|2,0,1]=4 1270 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,1,0,0,0,0|2,0,1]=4 1271 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,1,0,0,0,0|2,0,1]=4 1272 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,0,0,0,0|2,0,0]=3 1273 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,0,0,0,0|2,0,0]=3 1274 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,0,0,0,0|2,0,0]=3 1275 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,0|2,0,0]=3 1276 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,0,0,0,0|2,0,0]=3 1277 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,1,0,0,0,0|2,0,1]=4 1278 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,1,0,0,0,0|1,0,2]=4 1283 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,1,0,0,0,0|1,0,2]=4 1284 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,1,0,0,0,0|1,0,2]=4 1285 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,1,0,0,0,0|1,0,2]=4 1286 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,1,0,0,0,0|1,0,2]=4 1287 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,1,0,0,0,0|1,0,2]=4 1288 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [0,1,0,0,0,0|3,0,0]=4 1289 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|1,0,0]=2 1290 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|1,0,0]=2 1291 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|1,0,1]=3 1292 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|1,0,1]=3 1297 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|1,0,1]=3 1298 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|1,0,1]=3 1299 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,0|1,0,0]=2 1304 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,0|1,0,0]=2 1305 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,1,0,0,0,0|3,0,0]=4 1308 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,1,0,0,0,0|3,0,0]=4 1309 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,0|2,0,0]=3 1310 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,0|2,0,0]=3 1311 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,0,0,0,0|3,0,0]=4 1312 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,0|3,0,0]=4 1313 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,0,0,0,0|3,0,0]=4 1314 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,0,0,0,0|3,0,0]=4 1316 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,0|3,0,0]=4 1317 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,0,0,0,0|3,0,0]=4 1319 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.5 CNCC(C)CN(C)C 2230a_106832991635_100015348159 [0,1,0,0,0,0|3,0,0]=4 1321 B8R0.5 CNCC(C)CN(C)C 7a_106832991635_100015348159 [0,1,0,0,0,0|3,0,0]=4 1322 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,0|2,0,0]=3 1323 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,0|2,0,1]=4 1325 B8R0.5 COCC(O)CN(C)C 2230a_100000739405_200000210301 [0,1,0,0,0,0|3,0,0]=4 1326 B8R0.5 COCC(O)CN(C)C 269982a_100000739405_200000210301 [0,1,0,0,0,0|3,0,0]=4 1327 B8R0.5 COCC(O)CN(C)[13CH3] 2230a_100000739405_200025704644 [0,1,0,0,0,0|3,0,0]=4 1328 B8R0.5 COCC(O)CN(C)[13CH3] 269982a_100000739405_200025704644 [0,1,0,0,0,0|3,0,0]=4 1329 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,0,0,0,0|3,0,0]=4 1330 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,0|3,0,0]=4 1331 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 1332 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 1333 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,0,0,0,0|2,0,0]=3 1334 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,0,0,0,0|2,0,0]=3 1335 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,0,0,0,0|2,0,1]=4 1337 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,0,0,0,0|2,0,1]=4 1338 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,0|2,0,1]=4 1339 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,1,0,0,0,0|3,0,0]=4 1340 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,0,0,0,0|3,0,0]=4 1342 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,0|3,0,0]=4 1343 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,0|3,0,0]=4 1348 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,0|2,0,0]=3 1349 B8R0.6 C#C/C(=C\COCC)/C 34a_100016990848_100000210202 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.6 C#CC(=NNCCC)C 4a_100000740057_100000690481 [0,1,0,0,0,0|3,0,0]=4 1351 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|0,0,3]=4 1352 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,1,0,0,0,0|0,0,3]=4 1353 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,1,0,0,0,0|1,0,2]=4 1354 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,1,0,0,0,0|0,0,3]=4 1355 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|0,0,1]=2 1356 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,0,0,0,0|1,0,1]=3 1357 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|1,0,1]=3 1358 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,0,0,0,0|1,0,1]=3 1359 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,0,0,0,0|1,0,1]=3 1360 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,0,0,0,0|1,0,1]=3 1361 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [0,1,0,0,0,0|2,0,1]=4 1362 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [0,1,0,0,0,0|2,0,1]=4 1363 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,1,0,0,0,0|2,0,1]=4 1365 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,1,0,0,0,0|0,0,3]=4 1366 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,1,0,0,0,0|0,0,3]=4 1367 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|0,0,2]=3 1368 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|0,0,2]=3 1369 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,0,0,0,0|0,0,2]=3 1370 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,0,0,0,0|0,0,2]=3 1371 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,0,0,0,0|0,0,2]=3 1372 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,0,0,0,0|0,0,2]=3 1373 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,0,0,0,0|0,0,2]=3 1374 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,0,0,0,0|0,0,2]=3 1375 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1376 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1377 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1378 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,0,0,0,0|1,0,2]=4 1379 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,1,0,0,0,0|1,0,2]=4 1380 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,1,0,0,0,0|1,0,2]=4 1381 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,1,0,0,0,0|1,0,2]=4 1382 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,1,0,0,0,0|1,0,2]=4 1383 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,1,0,0,0,0|1,0,2]=4 1384 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,1,0,0,0,0|1,0,2]=4 1385 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,1,0,0,0,0|1,0,2]=4 1386 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,1,0,0,0,0|1,0,2]=4 1387 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,1,0,0,0,0|1,0,2]=4 1388 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,1,0,0,0,0|1,0,2]=4 1389 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,0,0,0,0|1,0,2]=4 1390 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,0,0,0,0|1,0,2]=4 1391 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,0,0,0,0|1,0,2]=4 1392 B8R0.6 C#CCOCC(=O)CF 1458a_100011251226_100015361967 [0,1,0,0,0,0|1,0,2]=4 1393 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,1,0,0,0,0|1,0,2]=4 1394 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,1,0,0,0,0|1,0,2]=4 1395 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,1,0,0,0,0|1,0,2]=4 1396 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,1,0,0,0,0|1,0,2]=4 1397 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,1,0,0,0,0|1,0,2]=4 1398 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,1,0,0,0,0|1,0,2]=4 1399 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,1,0,0,0,0|1,0,2]=4 1400 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,1,0,0,0,0|1,0,2]=4 1401 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,1,0,0,0,0|1,0,2]=4 1402 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [0,1,0,0,0,0|2,0,1]=4 1403 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [0,1,0,0,0,0|2,0,1]=4 1404 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,1,0,0,0,0|2,0,1]=4 1405 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,1,0,0,0,0|2,0,1]=4 1406 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [0,1,0,0,0,0|3,0,0]=4 1407 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|0,0,3]=4 1408 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,1,0,0,0,0|0,0,3]=4 1409 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,1,0,0,0,0|1,0,2]=4 1410 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|0,0,1]=2 1411 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,0,0,0,0|1,0,1]=3 1412 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|1,0,1]=3 1413 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,0,0,0,0|1,0,1]=3 1414 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,0,0,0,0|1,0,1]=3 1415 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,0,0,0,0|1,0,1]=3 1416 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|1,0,1]=3 1417 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|1,0,1]=3 1418 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,1,0,0,0,0|2,0,1]=4 1419 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,1,0,0,0,0|2,0,1]=4 1420 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,0,0,0,0|2,0,1]=4 1421 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,1,0,0,0,0|2,0,1]=4 1422 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,1,0,0,0,0|2,0,1]=4 1423 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,1,0,0,0,0|2,0,1]=4 1424 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,1,0,0,0,0|2,0,1]=4 1425 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,1,0,0,0,0|2,0,1]=4 1426 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,1,0,0,0,0|2,0,1]=4 1427 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,1,0,0,0,0|2,0,1]=4 1428 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,0,0,0,0|2,0,1]=4 1430 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 1431 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,0,0,0,0|2,0,1]=4 1432 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,0,0,0,0|2,0,1]=4 1433 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,0,0,0,0|2,0,1]=4 1434 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,0,0,0,0|2,0,1]=4 1435 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,0,0,0,0|2,0,1]=4 1436 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,0,0,0,0|2,0,1]=4 1437 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,0,0,0,0|2,0,1]=4 1438 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,1,0,0,0,0|2,0,1]=4 1439 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,1,0,0,0,0|2,0,1]=4 1440 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,1,0,0,0,0|2,0,1]=4 1441 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,1,0,0,0,0|2,0,1]=4 1442 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|0,0,3]=4 1443 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|0,0,2]=3 1444 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|0,0,2]=3 1445 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|0,0,2]=3 1446 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|0,0,2]=3 1447 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|0,0,2]=3 1448 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|0,0,2]=3 1449 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|0,0,2]=3 1450 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|0,0,2]=3 1451 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1452 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1453 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1454 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,0,0,0,0|1,0,2]=4 1455 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,1,0,0,0,0|1,0,2]=4 1456 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,1,0,0,0,0|1,0,2]=4 1457 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,1,0,0,0,0|1,0,2]=4 1458 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,1,0,0,0,0|1,0,2]=4 1459 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,1,0,0,0,0|1,0,2]=4 1460 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,1,0,0,0,0|1,0,2]=4 1461 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,1,0,0,0,0|1,0,2]=4 1462 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,1,0,0,0,0|1,0,2]=4 1463 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,1,0,0,0,0|1,0,2]=4 1464 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,1,0,0,0,0|1,0,2]=4 1465 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,0,0,0,0|1,0,2]=4 1466 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,0,0,0,0|1,0,2]=4 1467 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,1,0,0,0,0|1,0,2]=4 1468 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,1,0,0,0,0|1,0,2]=4 1469 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,0,0,0,0|1,0,2]=4 1470 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,0,0,0,0|1,0,2]=4 1471 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,0,0,0,0|1,0,2]=4 1472 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,0,0,0,0|1,0,2]=4 1473 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,1,0,0,0,0|1,0,2]=4 1474 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,1,0,0,0,0|1,0,2]=4 1475 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 1476 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 1477 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,1,0,0,0,0|1,0,2]=4 1478 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,1,0,0,0,0|1,0,2]=4 1479 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,1,0,0,0,0|1,0,2]=4 1480 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|1,0,2]=4 1481 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|1,0,2]=4 1482 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|1,0,2]=4 1483 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,1,0,0,0,0|1,0,2]=4 1484 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1485 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1486 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,0,0,0,0|1,0,2]=4 1487 B8R0.6 CC#CCNC(=O)CO 527a_100000685387_100000210174 [0,1,0,0,0,0|1,0,2]=4 1488 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 1489 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 1490 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,1,0,0,0,0|1,0,2]=4 1491 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,1,0,0,0,0|1,0,2]=4 1492 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,1,0,0,0,0|1,0,2]=4 1493 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|0,0,2]=3 1494 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|0,0,2]=3 1495 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|0,0,2]=3 1496 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|0,0,2]=3 1497 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|0,0,2]=3 1498 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|0,0,2]=3 1499 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|0,0,2]=3 1500 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,2]=3 1501 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,0,0,0,0|0,0,2]=3 1502 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|0,0,2]=3 1503 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|1,0,2]=4 1504 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|1,0,2]=4 1505 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|1,0,1]=3 1506 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|1,0,1]=3 1507 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|1,0,0]=2 1508 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|1,0,0]=2 1509 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|1,0,0]=2 1510 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|1,0,0]=2 1511 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|1,0,0]=2 1512 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|1,0,0]=2 1513 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,0,0,0,0|3,0,0]=4 1514 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,0,0,0,0|2,0,1]=4 1515 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|2,0,0]=3 1516 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|2,0,0]=3 1517 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|2,0,0]=3 1518 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,0,0,0,0|2,0,0]=3 1519 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,1,0,0,0,0|2,0,1]=4 1520 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,1,0,0,0,0|2,0,1]=4 1521 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,1,0,0,0,0|2,0,1]=4 1522 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,0,0,0,0|2,0,1]=4 1523 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,0,0,0,0|2,0,1]=4 1524 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|2,0,0]=3 1525 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|2,0,0]=3 1526 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|2,0,0]=3 1527 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|2,0,0]=3 1528 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,0,0,0,0|2,0,0]=3 1529 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,0,0,0,0|2,0,0]=3 1530 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,0,0,0,0|2,0,0]=3 1531 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,0,0,0,0|2,0,0]=3 1532 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1533 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1534 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1535 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1537 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1538 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1539 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|2,0,0]=3 1540 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 1541 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 1542 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,0,0,0,0|2,0,0]=3 1543 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,0,0,0,0|2,0,0]=3 1544 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 1545 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 1546 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,0,0,0,0|2,0,0]=3 1547 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,0,0,0,0|2,0,0]=3 1548 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,0,0,0,0|2,0,0]=3 1549 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,0,0,0,0|2,0,0]=3 1550 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,0,0,0,0|2,0,0]=3 1551 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1552 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1553 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1554 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,0,0,0,0|2,0,0]=3 1555 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|3,0,0]=4 1556 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,0,0,0,0|2,0,0]=3 1557 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,0,0,0,0|2,0,0]=3 1558 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|2,0,1]=4 1559 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|2,0,1]=4 1560 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,0,0,0,0|2,0,1]=4 1561 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|0,0,2]=3 1562 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,0,0,0,0|0,0,2]=3 1563 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,0,0,0,0|0,0,2]=3 1564 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|0,0,2]=3 1565 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|0,0,2]=3 1566 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|0,0,2]=3 1567 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|0,0,2]=3 1568 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|0,0,2]=3 1569 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|0,0,0]=1 1570 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|0,0,0]=1 1571 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|0,0,0]=1 1572 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|0,0,0]=1 1573 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|0,0,0]=1 1574 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|0,0,0]=1 1575 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|0,0,0]=1 1576 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|0,0,0]=1 1577 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|1,0,1]=3 1578 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|1,0,1]=3 1579 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|1,0,1]=3 1580 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|1,0,1]=3 1581 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|1,0,1]=3 1582 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|1,0,1]=3 1583 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|0,0,2]=3 1584 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|0,0,2]=3 1585 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|0,0,2]=3 1586 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|0,0,2]=3 1587 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|0,0,2]=3 1588 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|0,1,1]=3 1589 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|0,1,1]=3 1590 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|0,1,1]=3 1591 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|0,1,1]=3 1592 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|2,0,0]=3 1593 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|2,0,0]=3 1594 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|2,0,0]=3 1595 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|2,0,0]=3 1596 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,1,0,0,0,0|2,0,0]=3 1597 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1598 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1599 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1600 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|1,0,0]=2 1601 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|1,0,0]=2 1602 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|1,0,0]=2 1603 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|1,0,0]=2 1604 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|1,0,0]=2 1605 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|1,0,0]=2 1606 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|1,0,0]=2 1607 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|1,0,0]=2 1608 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|1,0,0]=2 1609 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [0,1,0,0,0,0|2,0,1]=4 1610 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [0,1,0,0,0,0|2,0,1]=4 1611 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [0,1,0,0,0,0|2,0,1]=4 1612 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,0,0,0,0|2,0,1]=4 1613 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,0,0,0,0|2,0,1]=4 1614 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,0,0,0,0|2,0,1]=4 1615 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,1,0,0,0,0|1,0,2]=4 1616 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,1,0,0,0,0|1,0,2]=4 1617 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,1,0,0,0,0|1,0,2]=4 1618 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [0,1,0,0,0,0|2,0,1]=4 1619 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [0,1,0,0,0,0|2,0,1]=4 1620 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,0,0,0,0|2,0,1]=4 1621 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,0,0,0,0|2,0,1]=4 1622 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,0,0,0,0|2,0,1]=4 1623 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,1,0,0,0,0|2,0,1]=4 1624 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,1,0,0,0,0|2,0,1]=4 1625 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,1,0,0,0,0|2,0,1]=4 1626 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,0,0,0,0|1,0,2]=4 1627 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,0,0,0,0|1,0,2]=4 1628 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,1,0,0,0,0|2,0,1]=4 1629 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,1,0,0,0,0|2,0,1]=4 1630 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|1,0,2]=4 1633 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|1,0,2]=4 1634 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|1,0,2]=4 1635 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|1,0,2]=4 1636 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|1,0,2]=4 1637 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|1,0,0]=2 1638 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,0,0,0,0|2,0,1]=4 1639 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,0,0,0,0|2,0,1]=4 1640 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,0,0,0,0|1,0,2]=4 1641 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,0,0,0,0|1,0,2]=4 1642 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,0,0,0,0|1,0,2]=4 1643 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,1]=4 1644 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,0,0,0,0|1,0,2]=4 1645 B8R0.6 CCCNN=C(C)CF 4a_100000740057_100000039719 [0,1,0,0,0,0|3,0,0]=4 1646 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,1,0,0,0,0|2,0,1]=4 1647 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|2,0,0]=3 1648 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|2,0,0]=3 1649 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,0,0,0,0|2,0,0]=3 1650 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,0,0,0,0|2,0,0]=3 1651 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,0,0,0,0|2,0,0]=3 1652 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|1,0,0]=2 1653 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|1,0,0]=2 1654 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|1,0,0]=2 1655 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|1,0,0]=2 1656 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 1657 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 1658 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|1,0,0]=2 1659 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|1,0,0]=2 1660 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|1,0,0]=2 1661 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|1,0,0]=2 1662 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,0,0,0,0|2,0,1]=4 1663 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,1,0,0,0,0|2,0,1]=4 1664 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,0,0,0,0|1,0,2]=4 1665 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,1,0,0,0,0|2,0,1]=4 1666 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,0,0,0,0|1,0,2]=4 1667 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,0,0,0,0|1,0,2]=4 1668 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,0,0,0,0|2,0,1]=4 1669 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,0,0,0,0|2,0,1]=4 1670 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,0,0,0,0|1,0,2]=4 1671 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,0,0,0,0|1,0,2]=4 1672 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,0,0,0,0|1,0,2]=4 1673 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,1]=4 1674 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|1,0,0]=2 1675 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|1,0,0]=2 1676 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|1,0,0]=2 1677 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|1,0,0]=2 1678 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|1,0,0]=2 1679 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 1680 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 1681 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|1,0,0]=2 1682 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|1,0,0]=2 1683 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|1,0,0]=2 1684 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|1,0,0]=2 1685 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|1,0,0]=2 1686 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|2,0,1]=4 1687 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|2,0,1]=4 1688 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,1,0,0,0,0|2,0,1]=4 1689 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|1,0,2]=4 1690 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|1,0,2]=4 1691 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|1,0,2]=4 1692 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|1,0,2]=4 1693 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|2,0,1]=4 1694 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|2,0,1]=4 1695 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|1,0,2]=4 1696 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|1,0,2]=4 1697 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|1,0,2]=4 1698 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|1,0,2]=4 1699 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|1,0,2]=4 1700 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|1,0,2]=4 1701 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,1,0,0,0,0|3,0,0]=4 1702 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,1,0,0,0,0|3,0,0]=4 1703 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 1704 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,0,0,0,0|3,0,0]=4 1705 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1706 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 1707 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,0,0,0,0|3,0,0]=4 1708 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1709 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,1,0,0,0,0|3,0,0]=4 1710 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,1,0,0,0,0|3,0,0]=4 1711 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,1,0,0,0,0|3,0,0]=4 1712 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,1,0,0,0,0|3,0,0]=4 1713 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,1,0,0,0,0|3,0,0]=4 1714 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,1,0,0,0,0|3,0,0]=4 1715 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,0,0,0,0|3,0,0]=4 1716 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,0,0,0,0|3,0,0]=4 1717 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1718 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1719 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,0,0,0,0|1,0,0]=2 1720 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,0,0,0,0|1,0,0]=2 1721 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,0,0,0,0|1,0,0]=2 1722 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,0,0,0,0|1,0,0]=2 1723 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|2,0,1]=4 1724 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|1,0,2]=4 1725 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|1,0,2]=4 1726 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|2,0,1]=4 1727 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|1,0,2]=4 1728 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|1,0,2]=4 1729 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|1,0,2]=4 1730 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|1,0,2]=4 1731 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|1,0,2]=4 1732 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,1,0,0,0,0|2,0,1]=4 1733 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|1,0,0]=2 1734 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|1,0,0]=2 1735 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|1,0,0]=2 1736 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|1,0,0]=2 1737 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,0,0,0,0|1,0,0]=2 1738 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 1739 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 1740 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,0,0,0,0|1,0,0]=2 1741 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,0,0,0,0|1,0,0]=2 1742 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,0,0,0,0|1,0,0]=2 1743 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,0,0,0,0|1,0,0]=2 1744 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1745 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|2,0,1]=4 1746 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|1,0,2]=4 1747 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 1748 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 1749 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|1,0,0]=2 1750 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|1,0,0]=2 1751 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|1,0,0]=2 1752 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|1,0,0]=2 1753 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,0,0,0,0|1,0,0]=2 1754 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1755 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1756 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,0,0,0,0|1,0,0]=2 1757 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,0,0,0,0|1,0,0]=2 1758 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,0,0,0,0|1,0,0]=2 1759 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|1,0,0]=2 1760 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|1,0,0]=2 1761 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1762 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1763 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|2,0,0]=3 1764 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,1,0,0,0,0|3,0,0]=4 1765 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|1,0,2]=4 1766 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|1,0,2]=4 1767 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|1,0,2]=4 1768 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,0,0,0,0|1,0,1]=3 1769 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 1770 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 1771 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,0,0,0,0|1,0,1]=3 1772 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|1,0,0]=2 1773 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,0,0,0,0|1,0,0]=2 1774 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,0,0,0,0|1,0,0]=2 1775 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|1,0,0]=2 1776 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 1777 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 1778 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|1,0,0]=2 1779 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|1,0,0]=2 1780 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|1,0,0]=2 1781 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1782 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1783 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|1,0,0]=2 1784 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|1,0,0]=2 1785 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|1,0,0]=2 1786 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|1,0,0]=2 1787 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|1,0,0]=2 1788 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,1,0,0,0,0|3,0,0]=4 1789 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,1,0,0,0,0|3,0,0]=4 1790 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,0,0,0,0|2,0,0]=3 1791 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,0,0,0,0|2,0,0]=3 1792 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,0,0,0,0|2,0,0]=3 1793 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,0,0,0,0|2,0,0]=3 1794 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,1,0,0,0,0|2,0,1]=4 1795 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,1,0,0,0,0|2,0,1]=4 1796 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,0,0,0,0|2,0,0]=3 1797 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,0,0,0,0|2,0,0]=3 1798 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|2,0,0]=3 1799 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|2,0,0]=3 1800 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|2,0,0]=3 1801 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,0,0,0,0|2,0,0]=3 1802 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,0,0,0,0|2,0,0]=3 1803 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,1,0,0,0,0|2,0,1]=4 1804 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 1805 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|2,0,0]=3 1806 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|2,0,0]=3 1807 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 1808 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 1809 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,0]=3 1810 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,0,0,0,0|2,0,0]=3 1811 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,1,0,0,0,0|2,0,1]=4 1812 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 1813 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,1,0,0,0,0|2,0,1]=4 1814 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,1,0,0,0,0|2,0,1]=4 1815 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,1,0,0,0,0|2,0,1]=4 1816 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,1,0,0,0,0|2,0,1]=4 1817 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,1,0,0,0,0|2,0,1]=4 1818 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|2,0,0]=3 1819 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|2,0,0]=3 1820 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,0]=3 1821 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 1822 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,0,0,0,0|2,0,0]=3 1823 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,0,0,0,0|2,0,0]=3 1824 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,0,0,0,0|2,0,0]=3 1825 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,0,0,0,0|2,0,0]=3 1826 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,1,0,0,0,0|2,0,1]=4 1827 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,1,0,0,0,0|2,0,1]=4 1828 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,1,0,0,0,0|2,0,1]=4 1829 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,1,0,0,0,0|2,0,1]=4 1830 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,1,0,0,0,0|2,0,1]=4 1831 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,1,0,0,0,0|2,0,1]=4 1832 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|2,0,0]=3 1833 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|2,0,0]=3 1834 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|2,0,0]=3 1835 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|2,0,0]=3 1836 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|2,0,0]=3 1837 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|2,0,0]=3 1838 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 1839 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|2,0,0]=3 1840 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 1841 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|2,0,0]=3 1842 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,0,0,0,0|2,0,0]=3 1843 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,0,0,0,0|2,0,0]=3 1844 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,0,0,0,0|2,0,0]=3 1845 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,0,0,0,0|2,0,0]=3 1846 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,0,0,0,0|2,0,0]=3 1847 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,0,0,0,0|2,0,0]=3 1848 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,0,0,0,0|2,0,0]=3 1849 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,0,0,0,0|2,0,0]=3 1850 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,0,0,0,0|2,0,0]=3 1851 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,0,0,0,0|2,0,0]=3 1852 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 1853 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 1854 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,0,0,0,0|2,0,0]=3 1855 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,0,0,0,0|2,0,0]=3 1856 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,0,0,0,0|2,0,0]=3 1857 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,0,0,0,0|2,0,0]=3 1858 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,0,0,0,0|2,0,0]=3 1859 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|2,0,1]=4 1860 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|1,0,2]=4 1861 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|1,0,2]=4 1862 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|1,0,2]=4 1863 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,0,0,0,0|1,0,0]=2 1864 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,0,0,0,0|1,0,0]=2 1865 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,0,0,0,0|1,0,0]=2 1866 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,0,0,0,0|1,0,0]=2 1867 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,0,0,0,0|1,0,0]=2 1868 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,0,0,0,0|1,0,0]=2 1869 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,0,0,0,0|1,0,0]=2 1870 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,0,0,0,0|1,0,0]=2 1871 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,0,0,0,0|2,0,0]=3 1873 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,0,0,0,0|2,0,0]=3 1874 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|1,0,2]=4 1875 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|1,0,2]=4 1876 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|1,0,2]=4 1877 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|1,0,2]=4 1878 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|1,0,0]=2 1879 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|1,0,0]=2 1880 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|1,0,0]=2 1881 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|1,0,0]=2 1882 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,0,0,0,0|2,0,0]=3 1883 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,0,0,0,0|2,0,0]=3 1885 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|2,0,0]=3 1886 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|2,0,0]=3 1887 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 1888 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|2,0,0]=3 1889 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,1,0,0,0,0|2,0,1]=4 1890 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,1,0,0,0,0|2,0,1]=4 1891 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,1,0,0,0,0|2,0,1]=4 1892 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,1,0,0,0,0|2,0,1]=4 1893 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|2,0,0]=3 1894 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|2,0,0]=3 1895 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 1896 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,0,0]=3 1897 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|2,0,0]=3 1898 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|2,0,0]=3 1899 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|2,0,0]=3 1900 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|2,0,0]=3 1901 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|3,0,0]=4 1902 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|1,0,2]=4 1903 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|1,0,2]=4 1904 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|1,0,0]=2 1905 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|1,0,0]=2 1906 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,0,0,0,0|2,0,0]=3 1907 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|1,0,0]=2 1908 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|1,0,2]=4 1909 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|1,0,2]=4 1910 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|1,0,2]=4 1911 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|1,0,2]=4 1912 B8R0.6 COCCCN(C)CF 269982a_100000224831_100015361967 [0,1,0,0,0,0|3,0,0]=4 1913 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|2,0,1]=4 1914 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|2,0,0]=3 1915 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|2,0,0]=3 1916 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|2,0,0]=3 1917 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|2,0,0]=3 1918 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|2,0,0]=3 1919 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|2,0,0]=3 1920 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|1,0,0]=2 1921 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|2,0,0]=3 1922 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|2,0,0]=3 1923 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|2,0,1]=4 1924 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,0,0,0,0|1,0,1]=3 1925 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,0,0,0,0|1,0,1]=3 1926 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,1,0,0,0,0|2,0,1]=4 1927 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,1,0,0,0,0|2,0,1]=4 1928 B8R0.6 N#CCSCC(=O)CF 1458a_100000150266_100015361967 [0,1,0,0,0,0|2,0,1]=4 1929 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|1,0,0]=2 1930 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,0,0,0,0|2,0,0]=3 1931 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,1,0,0,0,0|1,0,2]=4 1932 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|1,0,0]=2 1933 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|1,0,0]=2 1934 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|2,0,0]=3 1935 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|2,0,0]=3 1936 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 1937 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|2,0,0]=3 1938 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|3,0,0]=4 1939 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,0,0,0,0|2,0,0]=3 1940 B8R0.6 [N-]=[N+]=NCCC(=O)CF 1458a_100000688302_100015361967 [0,1,0,0,0,0|3,0,0]=4 1941 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,0,0,0,0|0,0,1]=2 1942 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,0,0,0,0|0,0,1]=2 1943 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,0,0,0,0|0,0,1]=2 1944 B8R0.7 C#CCCCCN(C)C 2230a_100102631434_100010269958 [0,1,0,0,0,0|2,0,1]=4 1945 B8R0.7 C#CCCCCN(C)C 269982a_100102631434_100010269958 [0,1,0,0,0,0|2,0,1]=4 1946 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,1,0,0,0,0|0,0,2]=3 1947 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,1,0,0,0,0|0,0,2]=3 1948 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,1,0,0,0,0|0,0,2]=3 1949 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,1,0,0,0,0|0,0,2]=3 1950 B8R0.7 C#CCCNCC(=C)C 34a_100000755551_100000748629 [0,1,0,0,0,0|1,0,2]=4 1951 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,1,0,0,0,0|1,0,2]=4 1952 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,1,0,0,0,0|1,0,2]=4 1953 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,0,0,0,0|1,0,2]=4 1954 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,1,0,0,0,0|1,0,2]=4 1955 B8R0.7 C#CCCOCC(=C)C 34a_100000210245_100000688953 [0,1,0,0,0,0|1,0,2]=4 1956 B8R0.7 C#CCCOCC(=C)C 34a_100011215631_100000748629 [0,1,0,0,0,0|1,0,2]=4 1957 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,1,0,0,0,0|0,0,2]=3 1958 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,1,0,0,0,0|1,0,2]=4 1959 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,1,0,0,0,0|1,0,2]=4 1960 B8R0.7 C#CCCSCC(=C)C 62a_100000688953_100000211660 [0,1,0,0,0,0|1,0,2]=4 1961 B8R0.7 C#CCCSCC(=C)C 62a_100000748629_100000688953 [0,1,0,0,0,0|1,0,2]=4 1962 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,1,0,0,0,0|1,0,2]=4 1963 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,1,0,0,0,0|1,0,2]=4 1964 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,1,0,0,0,0|1,0,2]=4 1965 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,1,0,0,0,0|1,0,2]=4 1966 B8R0.7 C#CCNCCC(=C)C 34a_100000212058_100000730704 [0,1,0,0,0,0|1,0,2]=4 1967 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,1,0,0,0,0|1,0,2]=4 1968 B8R0.7 C#CCNCOC(=O)C 34a_100000212058_100009813279 [0,1,0,0,0,0|1,0,2]=4 1969 B8R0.7 C#CCOCCC(=C)C 34a_100000210247_100000730704 [0,1,0,0,0,0|1,0,2]=4 1970 B8R0.7 C#CCOCCC(=C)C 34a_100000764851_100000184674 [0,1,0,0,0,0|1,0,2]=4 1971 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,1,0,0,0,0|0,0,2]=3 1972 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,1,0,0,0,0|0,0,2]=3 1973 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,1,0,0,0,0|0,0,2]=3 1974 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,1,0,0,0,0|0,0,2]=3 1975 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,1,0,0,0,0|1,0,2]=4 1976 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,1,0,0,0,0|1,0,2]=4 1977 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,1,0,0,0,0|1,0,2]=4 1978 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,1,0,0,0,0|0,0,2]=3 1979 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [0,1,0,0,0,0|1,0,2]=4 1980 B8R0.7 C#CCSCCC(=C)C 62a_100000038162_100000730704 [0,1,0,0,0,0|1,0,2]=4 1981 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,1,0,0,0,0|0,0,2]=3 1982 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,1,0,0,0,0|1,0,2]=4 1983 B8R0.7 C#CCSCOC(=O)C 62a_100000038162_100000076356 [0,1,0,0,0,0|1,0,2]=4 1984 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,0,0,0,0|1,0,2]=4 1985 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,1,0,0,0,0|0,0,2]=3 1986 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,1,0,0,0,0|1,0,2]=4 1987 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,1,0,0,0,0|1,0,2]=4 1988 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,1,0,0,0,0|1,0,2]=4 1989 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,1,0,0,0,0|1,0,2]=4 1990 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,1,0,0,0,0|1,0,2]=4 1991 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,1,0,0,0,0|1,0,2]=4 1992 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,1,0,0,0,0|1,0,1]=3 1993 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,1,0,0,0,0|2,0,1]=4 1994 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,1,0,0,0,0|2,0,1]=4 1995 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,1,0,0,0,0|2,0,1]=4 1996 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,1,0,0,0,0|2,0,1]=4 1997 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,1,0,0,0,0|2,0,0]=3 1998 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,1,0,0,0,0|2,0,0]=3 1999 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,1,0,0,0,0|2,0,0]=3 2000 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,1,0,0,0,0|2,0,1]=4 2001 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,1,0,0,0,0|2,0,0]=3 2002 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,0,0,0,0|1,0,0]=2 2003 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,0,0,0,0|1,0,0]=2 2004 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,1,0,0,0,0|2,0,0]=3 2005 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,1,0,0,0,0|2,0,0]=3 2006 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,1,0,0,0,0|2,0,0]=3 2007 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,1,0,0,0,0|2,0,0]=3 2008 B8R0.7 C=C(C)CCSCC#N 62a_100000730704_100011215382 [0,1,0,0,0,0|2,0,1]=4 2009 B8R0.7 C=C(C)CCSCC#N 62a_100011215382_100000730704 [0,1,0,0,0,0|2,0,1]=4 2010 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,1,0,0,0,0|2,0,1]=4 2011 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,1,0,0,0,0|2,0,1]=4 2012 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,0,0,0,0|1,0,0]=2 2013 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,0,0,0,0|1,0,0]=2 2014 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,1,0,0,0,0|2,0,0]=3 2015 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,1,0,0,0,0|2,0,0]=3 2016 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,0,0,0,0|2,0,0]=3 2017 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,0,0,0,0|2,0,0]=3 2018 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,1,0,0,0,0|2,0,0]=3 2019 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,1,0,0,0,0|2,0,0]=3 2020 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,1,0,0,0,0|2,0,0]=3 2021 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,1,0,0,0,0|2,0,0]=3 2022 B8R0.7 C=C(C)CNCC#CC 2230a_100000685387_100000748629 [0,1,0,0,0,0|1,0,2]=4 2023 B8R0.7 C=C(C)CNCC#CC 34a_100000685387_100000748629 [0,1,0,0,0,0|1,0,2]=4 2024 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,0,0,0,0|1,0,0]=2 2025 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,0,0,0,0|1,0,0]=2 2026 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,1,0,0,0,0|2,0,0]=3 2027 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,1,0,0,0,0|2,0,0]=3 2028 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,1,0,0,0,0|2,0,0]=3 2029 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,1,0,0,0,0|2,0,0]=3 2030 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [0,1,0,0,0,0|1,0,2]=4 2031 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [0,1,0,0,0,0|1,0,2]=4 2032 B8R0.7 C=C(C)COCC#CC 34a_100000210245_100000748600 [0,1,0,0,0,0|1,0,2]=4 2033 B8R0.7 C=C(C)COCC#CC 34a_100000761923_100000748629 [0,1,0,0,0,0|1,0,2]=4 2034 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [0,1,0,0,0,0|1,0,2]=4 2035 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,1,0,0,0,0|2,0,0]=3 2036 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,0,0,0,0|1,0,0]=2 2037 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,0,0,0,0|1,0,0]=2 2038 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,0,0,0,0|1,0,0]=2 2039 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,1,0,0,0,0|2,0,0]=3 2040 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,1,0,0,0,0|2,0,0]=3 2041 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,1,0,0,0,0|2,0,0]=3 2042 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,0,0,0,0|2,0,0]=3 2043 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,1,0,0,0,0|2,0,0]=3 2044 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,1,0,0,0,0|2,0,0]=3 2045 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,1,0,0,0,0|2,0,0]=3 2046 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [0,1,0,0,0,0|3,0,0]=4 2047 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,1,0,0,0,0|2,0,0]=3 2048 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,1,0,0,0,0|2,0,0]=3 2049 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,1,0,0,0,0|2,0,0]=3 2050 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [0,1,0,0,0,0|1,0,2]=4 2051 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [0,1,0,0,0,0|1,0,2]=4 2052 B8R0.7 C=C(C)CSCC#CC 62a_100000748600_100000211660 [0,1,0,0,0,0|1,0,2]=4 2053 B8R0.7 C=C(C)CSCC#CC 62a_100000748629_100000748600 [0,1,0,0,0,0|1,0,2]=4 2054 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [0,1,0,0,0,0|1,0,2]=4 2055 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [0,1,0,0,0,0|1,0,2]=4 2056 B8R0.7 C=C(C)CSCCC#N 62a_100000748629_100011215226 [0,1,0,0,0,0|2,0,1]=4 2057 B8R0.7 C=C(C)CSCCC#N 62a_100011215226_100000211660 [0,1,0,0,0,0|2,0,1]=4 2058 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,0,0,0,0|1,0,0]=2 2059 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,0,0,0,0|1,0,0]=2 2060 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,1,0,0,0,0|2,0,0]=3 2061 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,1,0,0,0,0|2,0,0]=3 2062 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|2,0,0]=3 2063 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|2,0,0]=3 2064 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,1,0,0,0,0|2,0,0]=3 2065 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,1,0,0,0,0|2,0,0]=3 2066 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,1,0,0,0,0|2,0,0]=3 2067 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,1,0,0,0,0|2,0,0]=3 2068 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,1,0,0,0,0|2,0,0]=3 2069 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,1,0,0,0,0|2,0,0]=3 2070 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,1,0,0,0,0|1,0,1]=3 2071 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,1,0,0,0,0|1,0,1]=3 2072 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,1,0,0,0,0|2,0,1]=4 2073 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,1,0,0,0,0|2,0,1]=4 2074 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,1,0,0,0,0|2,0,1]=4 2075 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,1,0,0,0,0|2,0,1]=4 2076 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,1,0,0,0,0|2,0,1]=4 2077 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,1,0,0,0,0|1,0,1]=3 2078 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,1,0,0,0,0|1,0,1]=3 2079 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,1,0,0,0,0|1,0,1]=3 2080 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,1,0,0,0,0|2,0,1]=4 2081 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,1,0,0,0,0|2,0,1]=4 2082 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,1,0,0,0,0|2,0,1]=4 2083 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,1,0,0,0,0|2,0,1]=4 2084 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,1,0,0,0,0|2,0,1]=4 2085 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,1,0,0,0,0|2,0,1]=4 2086 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,1,0,0,0,0|2,0,1]=4 2087 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,1,0,0,0,0|2,0,1]=4 2088 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,1,0,0,0,0|2,0,1]=4 2089 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,1,0,0,0,0|2,0,1]=4 2090 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,0,0,0,0|1,0,1]=3 2091 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,0,0,0,0|1,0,1]=3 2092 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,1,0,0,0,0|2,0,1]=4 2093 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,1,0,0,0,0|2,0,1]=4 2094 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,1,0,0,0,0|2,0,1]=4 2095 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,1,0,0,0,0|2,0,1]=4 2096 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,1,0,0,0,0|2,0,1]=4 2097 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,1,0,0,0,0|2,0,1]=4 2098 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,1,0,0,0,0|2,0,1]=4 2099 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,1,0,0,0,0|2,0,1]=4 2100 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [0,1,0,0,0,0|2,0,1]=4 2101 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [0,1,0,0,0,0|2,0,1]=4 2102 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,0,0,0,0|0,0,1]=2 2103 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,0,0,0,0|0,0,1]=2 2104 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,0,0,0,0|0,0,1]=2 2105 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,1,0,0,0,0|2,0,1]=4 2106 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,1,0,0,0,0|2,0,1]=4 2107 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,1,0,0,0,0|2,0,1]=4 2108 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,1,0,0,0,0|2,0,1]=4 2109 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,1,0,0,0,0|2,0,1]=4 2110 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,1,0,0,0,0|2,0,1]=4 2111 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,1,0,0,0,0|0,0,2]=3 2112 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,1,0,0,0,0|0,0,2]=3 2113 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,1,0,0,0,0|0,0,2]=3 2114 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,1,0,0,0,0|0,0,2]=3 2115 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,1,0,0,0,0|1,0,2]=4 2116 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,1,0,0,0,0|1,0,2]=4 2117 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,1,0,0,0,0|1,0,2]=4 2118 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,0,0,0,0|1,0,2]=4 2119 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,1,0,0,0,0|1,0,2]=4 2120 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,1,0,0,0,0|1,0,2]=4 2121 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,1,0,0,0,0|0,0,2]=3 2122 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,1,0,0,0,0|1,0,2]=4 2123 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,1,0,0,0,0|1,0,2]=4 2124 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,1,0,0,0,0|1,0,2]=4 2125 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,1,0,0,0,0|1,0,2]=4 2126 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,1,0,0,0,0|1,0,2]=4 2127 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,1,0,0,0,0|1,0,2]=4 2128 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,1,0,0,0,0|1,0,2]=4 2129 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,1,0,0,0,0|1,0,2]=4 2130 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,1,0,0,0,0|1,0,2]=4 2131 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,1,0,0,0,0|1,0,2]=4 2132 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,1,0,0,0,0|1,0,2]=4 2133 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,1,0,0,0,0|1,0,2]=4 2134 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,0,0,0,0|0,0,2]=3 2135 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,0,0,0,0|0,0,2]=3 2136 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,0,0,0,0|0,0,2]=3 2137 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,1,0,0,0,0|1,0,2]=4 2138 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,1,0,0,0,0|1,0,2]=4 2139 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,1,0,0,0,0|1,0,2]=4 2140 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,0,0,0,0|0,0,2]=3 2141 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,1,0,0,0,0|1,0,2]=4 2142 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,1,0,0,0,0|1,0,2]=4 2143 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,1,0,0,0,0|1,0,2]=4 2144 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,1,0,0,0,0|0,0,2]=3 2145 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,1,0,0,0,0|0,0,2]=3 2146 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,1,0,0,0,0|1,0,2]=4 2147 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,1,0,0,0,0|1,0,2]=4 2148 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,1,0,0,0,0|1,0,2]=4 2149 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,1,0,0,0,0|1,0,2]=4 2150 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,1,0,0,0,0|1,0,2]=4 2151 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,1,0,0,0,0|1,0,2]=4 2152 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,1,0,0,0,0|1,0,2]=4 2153 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,0,0,0,0|1,0,2]=4 2154 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,1,0,0,0,0|1,0,2]=4 2155 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,1,0,0,0,0|0,0,2]=3 2156 B8R0.7 CC#CCOCC(=O)N 34a_100000761923_100000187820 [0,1,0,0,0,0|1,0,2]=4 2157 B8R0.7 CC#CCOCC(=O)[O-] 34a_100000761923_100020667443 [0,1,0,0,0,0|1,0,2]=4 2158 B8R0.7 CC#CCSCC(=O)N 62a_100000747473_100000748600 [0,1,0,0,0,0|1,0,2]=4 2159 B8R0.7 CC#CCSCC(=O)N 62a_100000748600_100000747473 [0,1,0,0,0,0|1,0,2]=4 2160 B8R0.7 CC#CCSCC(=O)[O-] 62a_100000748600_100020667443 [0,1,0,0,0,0|1,0,2]=4 2161 B8R0.7 CC#CCSCC(=O)[O-] 62a_100020667443_100000748600 [0,1,0,0,0,0|1,0,2]=4 2162 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [0,1,0,0,0,0|2,0,1]=4 2163 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [0,1,0,0,0,0|2,0,1]=4 2164 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [0,1,0,0,0,0|2,0,1]=4 2165 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [0,1,0,0,0,0|2,0,1]=4 2166 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,1,0,0,0,0|2,0,1]=4 2167 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,1,0,0,0,0|2,0,1]=4 2168 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,1,0,0,0,0|2,0,1]=4 2169 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [0,1,0,0,0,0|2,0,1]=4 2170 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [0,1,0,0,0,0|2,0,1]=4 2171 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [0,1,0,0,0,0|2,0,1]=4 2172 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,1,0,0,0,0|2,0,1]=4 2173 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [0,1,0,0,0,0|2,0,1]=4 2174 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [0,1,0,0,0,0|2,0,1]=4 2175 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,1,0,0,0,0|2,0,1]=4 2176 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,1,0,0,0,0|2,0,1]=4 2177 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,0,0,0,0|0,0,1]=2 2178 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,0,0,0,0|0,0,0]=1 2179 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,0,0,0,0|0,0,0]=1 2180 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,0,0,0,0|0,0,0]=1 2181 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,0,0,0,0|0,0,0]=1 2182 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,0,0,0,0|0,0,0]=1 2183 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,1,0,0,0,0|2,0,0]=3 2184 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,0,0,0,0|1,0,0]=2 2185 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,0,0,0,0|1,0,0]=2 2186 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,0,0,0,0|1,0,0]=2 2187 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,0,0,0,0|1,0,0]=2 2188 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,1,0,0,0,0|1,0,1]=3 2189 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,1,0,0,0,0|1,0,1]=3 2190 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,0,0,0,0|1,0,1]=3 2191 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,0,0,0,0|1,0,1]=3 2192 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,0,0,0,0|1,0,0]=2 2193 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,0,0,0,0|1,0,0]=2 2194 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,0,0,0,0|1,0,0]=2 2195 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,0,0,0,0|1,0,0]=2 2196 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,0,0,0,0|1,0,0]=2 2197 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,0,0,0,0|1,0,0]=2 2198 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,1,0,0,0,0|1,0,1]=3 2199 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,1,0,0,0,0|1,0,1]=3 2200 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,0,0,0,0|1,0,1]=3 2201 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,0,0,0,0|1,0,1]=3 2202 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,0,0,0,0|1,0,0]=2 2203 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,0,0,0,0|1,0,0]=2 2204 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,0,0,0,0|1,0,0]=2 2205 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,0,0,0,0|1,0,0]=2 2206 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,0,0,0,0|1,0,0]=2 2207 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,0,0,0,0|1,0,0]=2 2208 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,0,0,0,0|1,0,0]=2 2209 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,0,0,0,0|1,0,0]=2 2210 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,0,0,0,0|1,0,0]=2 2211 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,0,0,0,0|1,0,0]=2 2212 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,1,0,0,0,0|2,0,0]=3 2213 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,1,0,0,0,0|2,0,0]=3 2214 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,1,0,0,0,0|2,0,0]=3 2215 B8R0.7 CC(=O)NNCCC#N 22a_100000229987_100000070787 [0,1,0,0,0,0|2,0,1]=4 2216 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,0,0,0,0|1,0,0]=2 2217 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,0,0,0,0|1,0,0]=2 2218 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,1,0,0,0,0|2,0,0]=3 2219 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,1,0,0,0,0|2,0,0]=3 2220 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,1,0,0,0,0|2,0,0]=3 2221 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,1,0,0,0,0|2,0,0]=3 2222 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,1,0,0,0,0|2,0,0]=3 2223 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,1,0,0,0,0|2,0,0]=3 2224 B8R0.7 CC(=O)OCSCC#N 62a_100000076356_100011215382 [0,1,0,0,0,0|2,0,1]=4 2225 B8R0.7 CC(=O)OCSCC#N 62a_100011215382_100000076356 [0,1,0,0,0,0|2,0,1]=4 2226 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,1,0,0,0,0|2,0,1]=4 2227 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,1,0,0,0,0|2,0,1]=4 2228 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,1,0,0,0,0|2,0,0]=3 2229 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,1,0,0,0,0|2,0,0]=3 2230 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,1,0,0,0,0|2,0,0]=3 2231 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,1,0,0,0,0|2,0,0]=3 2232 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,0,0,0,0|1,0,0]=2 2233 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,0,0,0,0|1,0,0]=2 2234 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,1,0,0,0,0|1,1,0]=3 2235 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,1,0,0,0,0|1,1,0]=3 2236 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,1,0,0,0,0|2,0,1]=4 2237 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|2,0,1]=4 2238 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [0,1,0,0,0,0|2,0,1]=4 2239 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,1,0,0,0,0|2,0,1]=4 2240 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|1,0,1]=3 2241 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|1,0,1]=3 2242 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|1,0,1]=3 2243 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|1,0,1]=3 2244 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,0,0,0,0|2,0,1]=4 2245 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,1,0,0,0,0|2,0,1]=4 2246 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,1,0,0,0,0|2,0,1]=4 2247 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,1,0,0,0,0|2,0,1]=4 2248 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,1,0,0,0,0|2,0,1]=4 2249 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,1,0,0,0,0|2,0,1]=4 2250 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,1,0,0,0,0|2,0,1]=4 2251 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|2,0,1]=4 2252 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|2,0,1]=4 2253 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|2,0,1]=4 2254 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,1,0,0,0,0|2,0,1]=4 2255 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,1,0,0,0,0|2,0,1]=4 2256 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,1,0,0,0,0|2,0,1]=4 2257 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,1,0,0,0,0|2,0,1]=4 2258 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|2,0,1]=4 2259 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|2,0,1]=4 2260 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|2,0,1]=4 2261 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|2,0,1]=4 2262 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|2,0,1]=4 2263 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|2,0,1]=4 2264 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 2265 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,0,0,0,0|2,0,1]=4 2266 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,0,0,0,0|2,0,1]=4 2267 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 2268 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,0,0,0,0|2,0,1]=4 2269 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|2,0,1]=4 2270 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|2,0,1]=4 2271 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|2,0,1]=4 2272 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,1,0,0,0,0|2,0,1]=4 2273 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,0,0,0,0|2,0,1]=4 2274 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,0,0,0,0|2,0,1]=4 2275 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,0,0,0,0|2,0,1]=4 2276 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,0,0,0,0|2,0,1]=4 2277 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,0,0,0,0|2,0,1]=4 2278 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|2,0,1]=4 2279 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,1,0,0,0,0|2,0,1]=4 2280 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,1,0,0,0,0|2,0,1]=4 2281 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|2,0,1]=4 2282 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|2,0,1]=4 2283 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|2,0,1]=4 2284 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|2,0,1]=4 2285 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,0,0,0,0|2,0,1]=4 2286 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,0,0,0,0|2,0,1]=4 2287 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 2288 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 2289 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 2290 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,0,0,0,0|2,0,1]=4 2291 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 2292 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,0,0,0,0|2,0,1]=4 2293 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,1,0,0,0,0|2,0,1]=4 2294 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,1,0,0,0,0|2,0,1]=4 2295 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 2296 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 2297 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,1,0,0,0,0|2,0,1]=4 2298 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 2299 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 2300 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,1,0,0,0,0|2,0,1]=4 2301 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 2302 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,0,0,0,0|2,0,1]=4 2303 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,1,0,0,0,0|2,0,1]=4 2304 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,1,0,0,0,0|2,0,1]=4 2305 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,1,0,0,0,0|2,0,1]=4 2306 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,1,0,0,0,0|2,0,1]=4 2307 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,0,0,0,0|2,0,1]=4 2308 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 2309 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [0,1,0,0,0,0|2,0,1]=4 2310 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,1,0,0,0,0|2,0,1]=4 2311 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,1,0,0,0,0|1,0,2]=4 2312 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,1,0,0,0,0|1,0,2]=4 2313 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,1,0,0,0,0|1,0,2]=4 2314 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,1,0,0,0,0|1,0,2]=4 2315 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,0,0,0,0|1,0,2]=4 2316 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,0,0,0,0|1,0,2]=4 2317 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,0,0,0,0|1,0,2]=4 2318 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|1,0,2]=4 2319 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|1,0,2]=4 2320 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,0,0,0,0|1,0,2]=4 2321 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,0,0,0,0|1,0,2]=4 2322 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,0,0,0,0|1,0,2]=4 2323 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,0,0,0,0|1,0,2]=4 2324 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,1,0,0,0,0|1,0,2]=4 2325 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,1,0,0,0,0|1,0,2]=4 2326 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|1,0,2]=4 2327 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,1,0,0,0,0|1,0,2]=4 2328 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,0,0,0,0|1,0,2]=4 2329 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|1,0,2]=4 2330 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,1,0,0,0,0|1,0,2]=4 2331 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,1,0,0,0,0|1,0,2]=4 2332 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,1,0,0,0,0|1,0,2]=4 2333 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,0,0,0,0|1,0,2]=4 2334 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,0,0,0,0|1,0,2]=4 2335 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,0,0,0,0|1,0,2]=4 2336 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,0,0,0,0|1,0,2]=4 2337 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,0,0,0,0|1,0,2]=4 2338 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,0,0,0,0|0,0,1]=2 2339 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [0,1,0,0,0,0|2,0,1]=4 2340 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [0,1,0,0,0,0|2,0,1]=4 2341 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,1,0,0,0,0|1,0,2]=4 2342 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,1,0,0,0,0|0,0,2]=3 2343 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,1,0,0,0,0|1,0,2]=4 2344 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,1,0,0,0,0|1,0,2]=4 2345 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,1,0,0,0,0|1,0,2]=4 2346 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,1,0,0,0,0|1,0,2]=4 2347 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|0,0,1]=2 2348 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|0,0,1]=2 2349 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,0,0,0,0|1,0,1]=3 2350 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,0,0,0,0|0,0,1]=2 2351 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,0,0,0,0|0,0,1]=2 2352 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,0,0,0,0|0,0,0]=1 2353 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,0,0,0,0|0,0,0]=1 2354 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,0,0,0,0|0,0,0]=1 2355 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,1,0,0,0,0|2,0,0]=3 2356 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,1,0,0,0,0|2,0,0]=3 2357 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,1,0,0,0,0|2,0,0]=3 2358 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,1,0,0,0,0|2,0,0]=3 2359 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,1,0,0,0,0|2,0,0]=3 2360 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,1,0,0,0,0|2,0,0]=3 2361 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,0,0,0,0|0,0,0]=1 2362 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,0,0,0,0|0,0,0]=1 2363 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,0,0,0,0|0,0,0]=1 2364 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,0,0,0,0|0,0,0]=1 2365 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|1,0,1]=3 2366 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|1,0,1]=3 2367 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|1,0,1]=3 2368 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|1,0,1]=3 2369 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|1,0,1]=3 2370 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|1,0,1]=3 2371 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|1,0,1]=3 2372 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|1,0,1]=3 2373 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,0,0,0,0|1,0,0]=2 2374 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,0,0,0,0|1,0,0]=2 2375 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,0,0,0,0|1,0,0]=2 2376 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,0,0,0,0|1,0,0]=2 2377 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,0,0,0,0|1,0,1]=3 2378 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,0,0,0,0|1,0,1]=3 2379 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,0,0,0,0|1,0,1]=3 2380 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,0,0,0,0|1,0,1]=3 2381 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,0,0,0,0|1,0,1]=3 2382 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,0,0,0,0|0,0,2]=3 2383 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,0,0,0,0|0,0,2]=3 2384 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,0,0,0,0|0,0,2]=3 2385 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,0,0,0,0|0,0,2]=3 2386 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,1,0,0,0,0|2,0,1]=4 2387 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,1,0,0,0,0|2,0,1]=4 2388 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,1,0,0,0,0|2,0,1]=4 2389 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,0,0,0,0|0,0,2]=3 2390 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,0,0,0,0|0,0,2]=3 2391 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,0,0,0,0|1,0,0]=2 2392 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,0,0,0,0|0,0,0]=1 2393 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,0,0,0,0|0,0,0]=1 2394 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,0,0,0,0|0,0,0]=1 2395 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,0,0,0,0|1,0,0]=2 2396 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,0,0,0,0|1,0,0]=2 2397 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,0,0,0,0|0,0,0]=1 2398 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,0,0,0,0|1,0,0]=2 2399 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,1,0,0,0,0|1,0,1]=3 2400 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,0,0,0,0|1,0,1]=3 2401 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,0,0,0,0|1,0,1]=3 2402 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,0,0,0,0|1,0,1]=3 2403 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,1,0,0,0,0|1,0,1]=3 2404 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,0,0,0,0|0,0,2]=3 2405 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,0,0,0,0|0,0,2]=3 2406 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [0,1,0,0,0,0|2,0,1]=4 2407 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [0,1,0,0,0,0|2,0,1]=4 2408 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [0,1,0,0,0,0|2,0,1]=4 2409 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,1,0,0,0,0|2,0,0]=3 2410 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,1,0,0,0,0|2,0,0]=3 2411 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,1,0,0,0,0|1,0,1]=3 2412 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,1,0,0,0,0|1,0,1]=3 2413 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,0,0,0,0|0,0,2]=3 2414 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,0,0,0,0|0,0,2]=3 2415 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,1,0,0,0,0|2,0,0]=3 2416 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,0,0,0,0|0,0,0]=1 2417 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,0,0,0,0|1,0,0]=2 2418 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,0,0,0,0|1,0,0]=2 2419 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,0,0,0,0|0,0,0]=1 2420 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,0,0,0,0|1,0,0]=2 2421 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,0,0,0,0|1,0,0]=2 2422 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|1,0,1]=3 2423 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|1,0,1]=3 2424 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,0,0,0,0|0,0,2]=3 2425 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,0,0,0,0|0,0,2]=3 2426 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,1,0,0,0,0|2,0,1]=4 2427 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,1,0,0,0,0|2,0,1]=4 2428 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,0,0,0,0|0,0,2]=3 2429 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,0,0,0,0|0,0,2]=3 2430 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,1,0,0,0,0|2,0,0]=3 2431 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,1,0,0,0,0|1,0,1]=3 2432 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,0,0,0,0|1,0,1]=3 2433 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,0,0,0,0|0,0,2]=3 2434 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,0,0,0,0|2,0,0]=3 2435 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,1,0,0,0,0|1,0,1]=3 2436 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,1,0,0,0,0|1,0,1]=3 2437 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,0,0,0,0|0,0,0]=1 2438 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,0,0,0,0|0,0,0]=1 2439 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,0,0,0,0|0,0,0]=1 2440 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,0,0,0,0|1,0,0]=2 2441 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,0,0,0,0|1,0,0]=2 2442 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,0,0,0,0|1,0,0]=2 2443 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,1,0,0,0,0|1,0,1]=3 2444 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,0,0,0,0|1,0,1]=3 2445 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,0,0,0,0|1,0,1]=3 2446 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,0,0,0,0|1,0,1]=3 2447 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|0,0,2]=3 2448 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,1,0,0,0,0|2,0,1]=4 2449 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,1,0,0,0,0|2,0,0]=3 2450 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,1,0,0,0,0|2,0,0]=3 2451 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,1,0,0,0,0|1,0,1]=3 2452 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,0,0,0,0|1,0,0]=2 2453 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,1,0,0,0,0|2,0,1]=4 2454 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,0,0,0,0|1,0,1]=3 2455 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,0,0,0,0|1,0,1]=3 2456 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,0,0,0,0|0,0,0]=1 2457 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,0,0,0,0|0,0,0]=1 2458 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,0,0,0,0|1,0,0]=2 2459 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,0,0,0,0|1,0,0]=2 2460 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|1,0,1]=3 2461 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|1,0,1]=3 2462 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,0,0,0,0|0,0,2]=3 2463 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,0,0,0,0|0,0,2]=3 2464 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,1,0,0,0,0|2,0,0]=3 2465 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,0,0,0,0|1,0,0]=2 2466 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,0,0,0,0|1,0,0]=2 2467 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,1,0,0,0,0|2,0,1]=4 2468 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,1,0,0,0,0|2,0,1]=4 2469 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,1,0,0,0,0|1,0,1]=3 2470 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [0,1,0,0,0,0|2,0,1]=4 2471 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,0,0,0,0|1,0,0]=2 2472 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|1,0,1]=3 2473 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|1,0,1]=3 2474 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|1,0,1]=3 2475 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,0,0,0,0|0,0,2]=3 2476 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,1,0,0,0,0|1,0,0]=2 2477 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,1,0,0,0,0|1,0,0]=2 2478 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,1,0,0,0,0|1,0,0]=2 2479 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,0,0,0,0|2,0,0]=3 2480 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,0,0,0,0|2,0,0]=3 2481 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,1,0,0,0,0|2,0,1]=4 2482 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,1,0,0,0,0|2,0,1]=4 2483 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,1,0,0,0,0|2,0,1]=4 2484 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,1,0,0,0,0|2,0,1]=4 2485 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,1,0,0,0,0|2,0,1]=4 2486 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,1,0,0,0,0|2,0,1]=4 2487 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,1,0,0,0,0|1,0,1]=3 2488 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [0,1,0,0,0,0|2,0,1]=4 2489 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,0,0,0,0|0,0,0]=1 2490 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,0,0,0,0|0,0,0]=1 2491 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,0,0,0,0|0,0,0]=1 2492 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,0,0,0,0|0,0,0]=1 2493 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,0,0,0,0|1,0,0]=2 2494 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|1,0,1]=3 2495 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|1,0,1]=3 2496 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|1,0,1]=3 2497 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|0,0,2]=3 2498 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,1,0,0,0,0|2,0,0]=3 2499 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,1,0,0,0,0|2,0,0]=3 2500 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,1,0,0,0,0|2,0,0]=3 2501 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,1,0,0,0,0|1,0,0]=2 2502 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,1,0,0,0,0|1,0,0]=2 2503 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,1,0,0,0,0|1,0,0]=2 2504 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,1,0,0,0,0|1,0,0]=2 2505 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,1,0,0,0,0|1,0,0]=2 2506 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,0,0,0,0|2,0,0]=3 2507 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,1,0,0,0,0|2,0,1]=4 2508 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,1,0,0,0,0|2,0,1]=4 2509 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,1,0,0,0,0|2,0,1]=4 2510 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,1,0,0,0,0|2,0,1]=4 2511 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,1,0,0,0,0|2,0,1]=4 2512 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,1,0,0,0,0|1,0,0]=2 2513 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,1,0,0,0,0|2,0,0]=3 2514 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,1,0,0,0,0|2,0,0]=3 2515 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,1,0,0,0,0|2,0,1]=4 2516 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,1,0,0,0,0|2,0,1]=4 2517 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,1,0,0,0,0|2,0,1]=4 2518 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,1,0,0,0,0|2,0,1]=4 2519 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,1,0,0,0,0|2,0,1]=4 2520 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,1,0,0,0,0|2,0,1]=4 2521 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,1,0,0,0,0|2,0,1]=4 2522 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,1,0,0,0,0|2,0,1]=4 2523 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,1,0,0,0,0|2,0,1]=4 2524 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,1,0,0,0,0|2,0,1]=4 2525 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,1,0,0,0,0|2,0,1]=4 2526 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,0,0,0,0|2,0,0]=3 2527 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,0,0,0,0|2,0,0]=3 2528 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,0,0,0,0|2,0,0]=3 2529 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,0,0,0,0|2,0,0]=3 2530 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,0,0,0,0|2,0,0]=3 2531 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,1,0,0,0,0|2,0,1]=4 2532 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,1,0,0,0,0|2,0,1]=4 2533 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,1,0,0,0,0|1,0,2]=4 2534 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,1,0,0,0,0|1,0,2]=4 2535 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,1,0,0,0,0|1,0,2]=4 2536 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,1,0,0,0,0|1,0,2]=4 2537 B8R0.7 CCOCSC[N+](=O)[O-] 62a_100000739092_100000761209 [0,1,0,0,0,0|3,0,0]=4 2538 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,1,0,0,0,0|1,0,1]=3 2539 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,1,0,0,0,0|1,0,1]=3 2540 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,1,0,0,0,0|2,0,1]=4 2541 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,1,0,0,0,0|2,0,1]=4 2542 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,0,0,0,0|0,0,0]=1 2543 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,0,0,0,0|0,0,0]=1 2544 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,0,0,0,0|1,0,0]=2 2545 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,0,0,0,0|1,0,0]=2 2546 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|1,0,1]=3 2547 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|1,0,1]=3 2548 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,0,0,0,0|0,0,2]=3 2549 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,0,0,0,0|0,0,2]=3 2550 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,1,0,0,0,0|2,0,0]=3 2551 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,0,0,0,0|1,0,0]=2 2552 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,0,0,0,0|1,0,0]=2 2553 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,0,0,0,0|1,0,0]=2 2554 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,0,0,0,0|1,0,0]=2 2555 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,0,0,0,0|1,0,0]=2 2556 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,0,0,0,0|1,0,0]=2 2557 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,0,0,0,0|2,0,0]=3 2558 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,0,0,0,0|2,0,0]=3 2559 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,1,0,0,0,0|2,0,1]=4 2560 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,1,0,0,0,0|2,0,1]=4 2561 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,1,0,0,0,0|2,0,1]=4 2562 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,0,0,0,0|1,0,0]=2 2563 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,0,0,0,0|1,0,0]=2 2564 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,0,0,0,0|2,0,0]=3 2565 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,0,0,0,0|2,0,0]=3 2566 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,1,0,0,0,0|2,0,1]=4 2567 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,1,0,0,0,0|2,0,1]=4 2568 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,1,0,0,0,0|2,0,1]=4 2569 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,1,0,0,0,0|2,0,1]=4 2570 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,1,0,0,0,0|2,0,1]=4 2571 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,1,0,0,0,0|2,0,1]=4 2572 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,1,0,0,0,0|2,0,1]=4 2573 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,1,0,0,0,0|2,0,1]=4 2574 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,1,0,0,0,0|2,0,1]=4 2575 B8R0.7 CN(C)CCCCC#N 2230a_100102631434_100000211819 [0,1,0,0,0,0|2,0,1]=4 2576 B8R0.7 CN(C)CCCCC#N 269982a_100102631434_100011219923 [0,1,0,0,0,0|2,0,1]=4 2577 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,1,0,0,0,0|2,0,1]=4 2578 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,1,0,0,0,0|2,0,1]=4 2579 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,1,0,0,0,0|2,0,0]=3 2580 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,1,0,0,0,0|2,0,0]=3 2581 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,1,0,0,0,0|2,0,0]=3 2582 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,1,0,0,0,0|2,0,0]=3 2583 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,1,0,0,0,0|2,0,0]=3 2584 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,1,0,0,0,0|2,0,0]=3 2585 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,1,0,0,0,0|2,0,0]=3 2586 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [0,1,0,0,0,0|3,0,0]=4 2587 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,1,0,0,0,0|3,0,0]=4 2588 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,1,0,0,0,0|3,0,0]=4 2589 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,1,0,0,0,0|3,0,0]=4 2590 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,1,0,0,0,0|3,0,0]=4 2591 B8R0.7 CN(C)CCSCCF 62a_100011217306_100000755713 [0,1,0,0,0,0|3,0,0]=4 2592 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,1,0,0,0,0|3,0,0]=4 2593 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,1,0,0,0,0|2,0,0]=3 2594 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,1,0,0,0,0|2,0,0]=3 2595 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,1,0,0,0,0|3,0,0]=4 2596 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,1,0,0,0,0|3,0,0]=4 2597 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,1,0,0,0,0|2,0,1]=4 2598 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,1,0,0,0,0|2,0,1]=4 2599 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,1,0,0,0,0|2,0,1]=4 2600 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,0,0,0,0|0,0,0]=1 2601 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,0,0,0,0|0,0,0]=1 2602 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,0,0,0,0|1,0,0]=2 2603 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,0,0,0,0|1,0,1]=3 2604 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,0,0,0,0|1,0,1]=3 2605 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,0,0,0,0|1,0,1]=3 2606 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,0,0,0,0|1,0,0]=2 2607 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,0,0,0,0|1,0,0]=2 2608 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,0,0,0,0|1,0,0]=2 2609 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,1,0,0,0,0|1,1,0]=3 2610 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,1,0,0,0,0|1,1,0]=3 2611 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,1,0,0,0,0|1,1,0]=3 2612 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,1,0,0,0,0|2,0,1]=4 2613 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,1,0,0,0,0|2,0,1]=4 2614 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,1,0,0,0,0|2,0,1]=4 2615 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,0,0,0,0|1,0,0]=2 2616 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,0,0,0,0|1,0,0]=2 2617 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,0,0,0,0|1,0,0]=2 2618 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,0,0,0,0|2,0,0]=3 2619 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,0,0,0,0|2,0,0]=3 2620 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,0,0,0,0|2,0,0]=3 2621 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,0,0,0,0|2,0,0]=3 2622 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,1,0,0,0,0|2,0,1]=4 2623 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,0,0,0,0|0,0,0]=1 2624 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,0,0,0,0|0,0,0]=1 2625 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,0,0,0,0|1,0,0]=2 2626 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,0,0,0,0|1,0,0]=2 2627 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|1,0,1]=3 2628 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|1,0,1]=3 2629 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|1,0,1]=3 2630 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,1,0,0,0,0|2,0,0]=3 2631 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,1,0,0,0,0|2,0,0]=3 2632 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,1,0,0,0,0|2,0,0]=3 2633 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,1,0,0,0,0|2,0,0]=3 2634 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,0,0,0,0|1,0,0]=2 2635 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,0,0,0,0|1,0,0]=2 2636 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,0,0,0,0|1,0,0]=2 2637 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,0,0,0,0|1,0,0]=2 2638 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,1,0,0,0,0|2,0,1]=4 2639 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,1,0,0,0,0|2,0,1]=4 2640 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,1,0,0,0,0|2,0,1]=4 2641 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,1,0,0,0,0|2,0,1]=4 2642 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,0,0,0,0|1,0,0]=2 2643 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,1,0,0,0,0|1,1,0]=3 2644 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,1,0,0,0,0|2,0,1]=4 2645 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,1,0,0,0,0|2,0,1]=4 2646 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,0,0,0,0|1,0,0]=2 2647 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,1,0,0,0,0|2,0,1]=4 2648 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,1,0,0,0,0|2,0,1]=4 2649 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,0,0,0,0|2,0,0]=3 2650 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,0,0,0,0|2,0,0]=3 2651 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,0,0,0,0|2,0,0]=3 2652 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,1,0,0,0,0|2,0,1]=4 2653 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,1,0,0,0,0|2,0,1]=4 2654 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,1,0,0,0,0|2,0,1]=4 2655 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,1,0,0,0,0|2,0,1]=4 2656 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,1,0,0,0,0|2,0,1]=4 2657 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,1,0,0,0,0|1,0,2]=4 2658 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,1,0,0,0,0|1,0,2]=4 2659 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,1,0,0,0,0|1,0,2]=4 2660 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,1,0,0,0,0|1,0,2]=4 2661 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,1,0,0,0,0|2,0,0]=3 2662 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,0,0,0,0|1,0,0]=2 2663 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,0,0,0,0|1,0,0]=2 2664 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,0,0,0,0|2,0,0]=3 2665 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,0,0,0,0|2,0,0]=3 2666 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,0,0,0,0|1,0,0]=2 2667 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,0,0,0,0|2,0,0]=3 2668 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [0,1,0,0,0,0|2,0,1]=4 2669 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,1,0,0,0,0|2,0,1]=4 2670 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,1,0,0,0,0|2,0,1]=4 2671 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,1,0,0,0,0|2,0,1]=4 2672 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,1,0,0,0,0|2,0,1]=4 2673 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [0,1,0,0,0,0|2,0,1]=4 2674 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,1,0,0,0,0|1,0,2]=4 2675 B8R0.7 COCCOCN(C)C 2230a_100102631434_100000231047 [0,1,0,0,0,0|3,0,0]=4 2676 B8R0.7 COCCOCN(C)C 269982a_100102631434_100000231047 [0,1,0,0,0,0|3,0,0]=4 2677 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,1,0,0,0,0|2,0,1]=4 2678 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [0,1,0,0,0,0|2,0,1]=4 2679 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,1,0,0,0,0|1,0,2]=4 2680 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,1,0,0,0,0|3,0,0]=4 2681 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,0,0,0,0|2,0,0]=3 2682 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,0,0,0,0|2,0,0]=3 2683 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,0,0,0,0|2,0,0]=3 2684 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,0,0,0,0|2,0,0]=3 2685 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,0,0,0,0|2,0,1]=4 2686 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,0,0,0,0|2,0,1]=4 2687 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,0,0,0,0|2,0,1]=4 2688 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,0,0,0,0|2,0,1]=4 2689 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,1,0,0,0,0|1,0,2]=4 2690 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,1,0,0,0,0|1,0,2]=4 2691 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,1,0,0,0,0|1,0,2]=4 2692 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,1,0,0,0,0|1,0,2]=4 2693 B8R0.7 COCCSC[N+](=O)[O-] 62a_100000233755_100000761209 [0,1,0,0,0,0|3,0,0]=4 2694 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,1,0,0,0,0|1,0,2]=4 2695 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,0,0,0,0|3,0,0]=4 2696 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [0,1,0,0,0,0|2,0,1]=4 2697 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [0,1,0,0,0,0|2,0,1]=4 2698 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,0,0,0,0|1,0,0]=2 2699 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,0,0,0,0|1,0,0]=2 2700 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,0,0,0,0|2,0,0]=3 2701 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,0,0,0,0|2,0,0]=3 2702 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,0,0,0,0|2,0,1]=4 2703 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,0,0,0,0|2,0,1]=4 2704 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,1,0,0,0,0|1,0,2]=4 2705 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,1,0,0,0,0|1,0,2]=4 2706 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [0,1,0,0,0,0|3,0,0]=4 2707 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,1,0,0,0,0|2,0,0]=3 2708 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,1,0,0,0,0|2,0,0]=3 2709 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,1,0,0,0,0|2,0,1]=4 2710 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,1,0,0,0,0|2,0,1]=4 2711 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,0,0,0,0|0,0,0]=1 2712 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,0,0,0,0|0,0,0]=1 2713 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|1,0,1]=3 2714 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|1,0,1]=3 2715 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,1,0,0,0,0|2,0,0]=3 2716 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,0,0,0,0|1,0,0]=2 2717 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,0,0,0,0|1,0,0]=2 2718 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,0,0,0,0|1,0,0]=2 2719 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,0,0,0,0|1,0,0]=2 2720 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,1,0,0,0,0|2,0,1]=4 2721 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,0,0,0,0|1,0,0]=2 2722 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,0,0,0,0|1,0,0]=2 2723 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,1,0,0,0,0|1,1,0]=3 2724 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,1,0,0,0,0|1,1,0]=3 2725 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,1,0,0,0,0|2,0,1]=4 2726 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,1,0,0,0,0|2,0,1]=4 2727 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,0,0,0,0|1,0,0]=2 2728 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,0,0,0,0|1,0,0]=2 2729 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,0,0,0,0|2,0,0]=3 2730 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,0,0,0,0|2,0,0]=3 2731 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,0,0,0,0|2,0,0]=3 2732 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,1,0,0,0,0|2,0,1]=4 2733 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,1,0,0,0,0|2,0,1]=4 2734 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,1,0,0,0,0|2,0,1]=4 2735 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,1,0,0,0,0|2,0,1]=4 2736 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,1,0,0,0,0|1,0,2]=4 2737 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,1,0,0,0,0|1,0,2]=4 2738 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,1,0,0,0,0|1,0,2]=4 2739 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,1,0,0,0,0|1,0,2]=4 2740 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,0,0,0,0|1,0,0]=2 2741 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,0,0,0,0|2,0,0]=3 2742 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,0,0,0,0|2,0,0]=3 2743 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,0,0,0,0|2,0,0]=3 2744 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,0,0,0,0|2,0,0]=3 2745 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,0,0,0,0|2,0,0]=3 2746 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,1,0,0,0,0|2,0,1]=4 2747 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,1,0,0,0,0|2,0,1]=4 2748 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,1,0,0,0,0|2,0,1]=4 2749 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,1,0,0,0,0|2,0,1]=4 2750 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,1,0,0,0,0|2,0,1]=4 2751 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,1,0,0,0,0|1,0,2]=4 2752 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,1,0,0,0,0|1,0,2]=4 2753 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,1,0,0,0,0|2,0,1]=4 2754 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,1,0,0,0,0|2,0,1]=4 2755 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,1,0,0,0,0|1,0,2]=4 2756 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,1,0,0,0,0|1,0,2]=4 2757 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,1,0,0,0,0|3,0,0]=4 2758 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,0,0,0,0|2,0,0]=3 2759 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,0,0,0,0|2,0,0]=3 2760 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,0,0,0,0|2,0,0]=3 2761 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,0,0,0,0|2,0,0]=3 2762 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,0,0,0,0|2,0,1]=4 2763 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,0,0,0,0|2,0,1]=4 2764 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,1,0,0,0,0|1,0,2]=4 2765 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,1,0,0,0,0|1,0,2]=4 2766 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,1,0,0,0,0|1,0,2]=4 2767 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,1,0,0,0,0|1,0,2]=4 2768 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,1,0,0,0,0|3,0,0]=4 2769 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,1,0,0,0,0|2,0,1]=4 2770 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,1,0,0,0,0|1,0,2]=4 2771 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,0,0,0,0|3,0,0]=4 2772 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,1,0,0,0,0|2,0,1]=4 2773 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,1,0,0,0,0|1,0,0]=2 2774 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,1,0,0,0,0|2,0,0]=3 2775 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,1,0,0,0,0|2,0,1]=4 2776 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,1,0,0,0,0|2,0,1]=4 2777 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,1,0,0,0,0|2,0,1]=4 2778 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,1,0,0,0,0|2,0,1]=4 2779 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,1,0,0,0,0|2,0,1]=4 2780 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,0,0,0,0|1,0,0]=2 2781 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,0,0,0,0|1,0,0]=2 2782 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,1,0,0,0,0|2,0,0]=3 2783 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,1,0,0,0,0|2,0,0]=3 2784 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,0,0,0,0|2,0,1]=4 2785 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,0,0,0,0|2,0,1]=4 2786 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,1,0,0,0,0|1,0,2]=4 2787 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,1,0,0,0,0|1,0,2]=4 2788 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,1,0,0,0,0|3,0,0]=4 2789 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,1,0,0,0,0|2,0,0]=3 2790 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,1,0,0,0,0|2,0,0]=3 2791 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,1,0,0,0,0|2,0,1]=4 2792 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,1,0,0,0,0|2,0,1]=4 2793 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|2,0,1]=4 2794 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,0,1]=4 2795 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [0,1,0,0,0,0|2,0,1]=4 2796 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,1,0,0,0,0|2,0,1]=4 2797 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,1,0,0,0,0|1,0,2]=4 2798 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,1,0,0,0,0|1,0,2]=4 2799 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,1,0,0,0,0|1,0,2]=4 2800 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,1,0,0,0,0|1,0,2]=4 2801 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,1,0,0,0,0|1,0,2]=4 2802 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,0,0,0,0|1,0,2]=4 2803 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,0,0,0,0|1,0,2]=4 2804 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,0,0,0,0|1,0,2]=4 2805 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,0,0,0,0|1,0,2]=4 2806 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,0,0,0,0|1,0,2]=4 2807 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,1,0,0,0,0|2,0,1]=4 2808 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,0,0,0,0|2,0,1]=4 2809 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,1,0,0,0,0|2,0,1]=4 2810 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,1,0,0,0,0|2,0,1]=4 2811 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,1,0,0,0,0|2,0,1]=4 2812 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,1,0,0,0,0|2,0,1]=4 2813 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,1,0,0,0,0|2,0,1]=4 2814 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,1,0,0,0,0|2,0,1]=4 2815 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,1,0,0,0,0|2,0,1]=4 2816 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,0,0,0,0|2,0,0]=3 2817 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,0,0,0,0|2,0,0]=3 2818 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,0,0,0,0|2,0,0]=3 2819 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,0,0,0,0|2,0,0]=3 2820 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,0,0,0,0|2,0,0]=3 2821 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,0,0,0,0|2,0,0]=3 2822 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,1,0,0,0,0|2,0,1]=4 2823 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,1,0,0,0,0|2,0,1]=4 2824 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,0,0,0,0|2,0,0]=3 2825 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,0,0,0,0|2,0,0]=3 2826 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,0,0,0,0|2,0,0]=3 2827 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,0,0,0,0|2,0,0]=3 2828 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,0,0,0,0|2,0,0]=3 2829 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,1,0,0,0,0|2,0,1]=4 2830 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,1,0,0,0,0|2,0,1]=4 2831 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,0,0,0,0|2,0,0]=3 2832 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,0,0,0,0|2,0,0]=3 2833 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,0,0,0,0|2,0,0]=3 2834 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,0,0,0,0|2,0,0]=3 2835 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,0,0,0,0|2,0,0]=3 2836 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,0,0,0,0|2,0,0]=3 2837 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,0,0,0,0|2,0,0]=3 2838 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,0,0,0,0|2,0,0]=3 2839 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,0,0,0,0|2,0,0]=3 2840 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,0,0,0,0|2,0,0]=3 2841 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,0,0,0,0|2,0,0]=3 2842 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,0,0,0,0|2,0,0]=3 2843 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,0,0,0,0|2,0,0]=3 2844 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,0,0,0,0|2,0,0]=3 2845 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,0,0,0,0|2,0,0]=3 2846 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,1,0,0,0,0|3,0,0]=4 2847 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,1,0,0,0,0|3,0,0]=4 2848 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,1,0,0,0,0|3,0,0]=4 2849 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,1,0,0,0,0|3,0,0]=4 2850 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,1,0,0,0,0|3,0,0]=4 2851 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,1,0,0,0,0|3,0,0]=4 2852 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,1,0,0,0,0|3,0,0]=4 2853 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,0,0,0,0|2,0,0]=3 2854 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,0,0,0,0|2,0,0]=3 2855 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,1,0,0,0,0|3,0,0]=4 2856 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,0,0,0,0|2,0,0]=3 2857 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,1,0,0,0,0|3,0,0]=4 2858 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,1,0,0,0,0|3,0,0]=4 2859 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,0,0,0,0|2,0,0]=3 2860 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,0,0,0,0|2,0,0]=3 2861 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,0,0,0,0|3,0,0]=4 2862 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,0,0,0,0|3,0,0]=4 2863 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,0,0,0,0|2,0,0]=3 2864 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,0,0,0,0|2,0,0]=3 2865 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,0,0,0,0|2,0,0]=3 2866 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,0,0,0,0|2,0,0]=3 2867 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,0,0,0,0|2,0,0]=3 2868 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,0,0,0,0|2,0,0]=3 2869 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,0,0,0,0|2,0,0]=3 2870 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,0,0,0,0|2,0,0]=3 2871 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,1,0,0,0,0|3,0,0]=4 2872 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,1,0,0,0,0|3,0,0]=4 2873 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,1,0,0,0,0|3,0,0]=4 2874 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,1,0,0,0,0|3,0,0]=4 2875 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,1,0,0,0,0|3,0,0]=4 2876 B8R0.7 O=[N+]([O-])CSCCCF 62a_100011934791_100000761209 [0,1,0,0,0,0|3,0,0]=4 2877 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,1,0,0,0,0|3,0,0]=4 2878 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,0,0,0,0|0,0,0]=1 2879 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,1,0,0,0,0|2,0,0]=3 2880 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,0,0,0,0|1,0,0]=2 2881 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,0,0,0,0|1,0,0]=2 2882 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,0,0,0,0|2,0,0]=3 2883 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,0,0,0,0|1,0,0]=2 2884 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,0,0,0,0|1,0,0]=2 2885 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,1,0,0,0,0|2,0,0]=3 2886 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,1,0,0,0,0|2,0,0]=3 2887 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,1,0,0,0,0|2,0,1]=4 2888 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,1,0,0,0,0|2,0,1]=4 2889 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,0,0,0,0|2,0,0]=3 2890 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,0,0,0,0|2,0,0]=3 2891 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,1,0,0,0,0|1,0,2]=4 2892 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,1,0,0,0,0|1,0,2]=4 2893 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|1,0,1]=3 2894 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|2,0,1]=4 2895 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|2,0,1]=4 2896 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|2,0,1]=4 2897 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|2,0,1]=4 2898 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|2,0,1]=4 2899 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|2,0,1]=4 2900 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,0,0,0,0|2,0,0]=3 2901 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,1,0,0,0,0|3,0,0]=4 2902 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,1,0,0,0,0|3,0,0]=4 2903 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,1,0,0,0,0|1,0,2]=4 2904 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,1,0,0,0,0|1,0,2]=4 2905 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,1,0,0,0,0|1,0,2]=4 2906 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,1,0,0,0,0|1,0,2]=4 2907 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,1,0,0,0,0|1,0,2]=4 2908 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,1,0,0,0,0|1,0,2]=4 2909 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,1,0,0,0,0|1,0,2]=4 2910 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,1,0,0,0,0|1,0,2]=4 2911 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,1,0,0,0,0|1,0,2]=4 2912 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,1,0,0,0,0|1,0,2]=4 2913 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,1,0,0,0,0|2,0,1]=4 2914 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,1,0,0,0,0|2,0,1]=4 2915 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|2,0,0]=3 2916 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|2,0,0]=3 2917 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|2,0,0]=3 2918 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,1,0,0,0,0|2,0,1]=4 2919 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|2,0,0]=3 2920 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|2,0,0]=3 2921 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,1,0,0,0,0|2,0,1]=4 2922 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,1,0,0,0,0|2,0,1]=4 2923 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,1,0,0,0,0|2,0,1]=4 2924 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,1,0,0,0,0|2,0,1]=4 2925 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|2,0,0]=3 2926 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|2,0,0]=3 2927 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|2,0,0]=3 2928 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|2,0,0]=3 2929 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 2930 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 2931 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 2932 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,1,0,0,0,0|2,0,1]=4 2933 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,0,0,0,0|2,0,0]=3 2934 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,0,0,0,0|2,0,0]=3 2935 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|2,0,1]=4 2936 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,0,0,0,0|3,0,0]=4 2937 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,1,0,0,0,0|3,0,0]=4 2938 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,0,0,0,0|3,0,0]=4 2939 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,0,0,0,0|3,0,0]=4 2940 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,0,0,0,0|3,0,0]=4 2941 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,0,0,0,0|3,0,0]=4 2942 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,1,0,0,0,0|3,0,0]=4 2943 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,1,0,0,0,0|3,0,0]=4 2944 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,1,0,0,0,0|3,0,0]=4 2945 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,1,0,0,0,0|3,0,0]=4 2946 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|0,0,2]=3 2947 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|0,0,2]=3 2948 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|1,0,2]=4 2949 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|1,0,2]=4 2950 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|1,0,2]=4 2951 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|2,0,1]=4 2952 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|2,0,1]=4 2953 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|2,0,1]=4 2954 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|2,0,1]=4 2955 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|0,0,3]=4 2956 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|0,0,3]=4 2957 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|0,0,0]=1 2958 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|0,0,0]=1 2959 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|0,0,0]=1 2960 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,0,0,0,0|2,0,0]=3 2961 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,0,0,0,0|2,0,0]=3 2962 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,0,0,0,0|2,0,0]=3 2963 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|0,0,0]=1 2964 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|0,0,0]=1 2965 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|1,0,0]=2 2966 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|1,0,0]=2 2967 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|1,0,0]=2 2968 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|1,0,0]=2 2969 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,1,0,0,0,0|2,0,1]=4 2970 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,1,0,0,0,0|2,0,1]=4 2971 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,1,0,0,0,0|2,0,1]=4 2972 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,1,0,0,0,0|2,0,1]=4 2973 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,1,0,0,0,0|2,0,1]=4 2974 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,1,0,0,0,0|2,0,1]=4 2975 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,1,0,0,0,0|2,0,1]=4 2976 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|1,0,1]=3 2977 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,1]=4 2978 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|1,0,1]=3 2979 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,1,0,0,0,0|2,0,1]=4 2980 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|2,0,0]=3 2981 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|2,0,0]=3 2982 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|2,0,0]=3 2983 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|1,0,0]=2 2984 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|2,0,0]=3 2985 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,0,0,0,0|2,0,1]=4 2986 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|2,0,0]=3 2987 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|2,0,0]=3 2988 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|2,0,0]=3 2989 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|2,0,0]=3 2990 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|2,0,0]=3 2991 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|1,0,0]=2 2992 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|1,0,0]=2 2993 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|2,0,0]=3 2994 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|2,0,0]=3 2995 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|2,0,0]=3 2996 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|2,0,0]=3 2997 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|2,0,0]=3 2998 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|2,0,0]=3 2999 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|2,0,0]=3 3000 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|2,0,0]=3 3001 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,1,0,0,0,0|2,0,1]=4 3002 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|2,0,1]=4 3003 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|1,0,1]=3 3004 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|1,0,0]=2 3005 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|1,0,0]=2 3006 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,1,0,0,0,0|3,0,0]=4 3007 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,1,0,0,0,0|3,0,0]=4 3008 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|2,0,0]=3 3009 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|2,0,1]=4 3010 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|1,0,1]=3 3011 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|1,0,1]=3 3012 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,1,0,0,0,0|3,0,0]=4 3013 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,1,0,0,0,0|3,0,0]=4 3014 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|2,0,1]=4 3015 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 3016 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 3017 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 3018 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,1,0,0,0,0|2,0,0]=3 3019 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,0,0,0,0|3,0,0]=4 3020 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,1,0,0,0,0|3,0,0]=4 3021 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,0,0,0,0|2,0,0]=3 3022 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,0,0,0,0|2,0,0]=3 3023 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,1,0,0,0,0|3,0,0]=4 3024 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,1,0,0,0,0|3,0,0]=4 3025 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,1,0,0,0,0|3,0,0]=4 3026 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,1,0,0,0,0|3,0,0]=4 3027 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,1,0,0,0,0|3,0,0]=4 3028 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,1,0,0,0,0|3,0,0]=4 3029 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,1,0,0,0,0|3,0,0]=4 3030 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|1,0,0]=2 3031 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|1,0,0]=2 3032 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 3033 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 3034 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 3035 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|2,0,0]=3 3036 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,0,0,0,0|3,0,0]=4 3037 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,1,0,0,0,0|3,0,0]=4 3038 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,1,0,0,0,0|3,0,0]=4 3039 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,0,0,0,0|2,0,0]=3 3040 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,0,0,0,0|3,0,0]=4 3041 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,0,0,0,0|2,0,0]=3 3042 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,0,0,0,0|2,0,0]=3 3043 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,1,0,0,0,0|3,0,0]=4 3044 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,1,0,0,0,0|3,0,0]=4 3045 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,1,0,0,0,0|3,0,0]=4 3046 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,1,0,0,0,0|3,0,0]=4 3047 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,1,0,0,0,0|3,0,0]=4 3048 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,1,0,0,0,0|3,0,0]=4 3049 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 3050 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 3051 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,0,0,0,0|3,0,0]=4 3052 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,0,0,0,0|3,0,0]=4 3053 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 3054 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 3055 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|3,0,0]=4 3056 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|3,0,0]=4 3057 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,0,0,0,0|3,0,0]=4 3058 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,0,0,0,0|3,0,0]=4 3059 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,0,0,0,0|3,0,0]=4 3060 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,0,0,0,0|3,0,0]=4 3061 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,1,0,0,0,0|3,0,0]=4 3062 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,0,0,0,0|3,0,0]=4 3063 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,0,0,0,0|3,0,0]=4 3064 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 3065 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,1,0,0,0,0|3,0,0]=4 3066 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,1,0,0,0,0|3,0,0]=4 3067 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 3068 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,1,0,0,0,0|3,0,0]=4 3069 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,1,0,0,0,0|3,0,0]=4 3070 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,0,0,0,0|3,0,0]=4 3071 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,0,0,0,0|3,0,0]=4 3072 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,0,0,0,0|3,0,0]=4 3073 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,1,0,0,0,0|3,0,0]=4 3074 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,0,0,0,0|3,0,0]=4 3075 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,0,0,0,0|3,0,0]=4 3076 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,1,0,0,0,0|3,0,0]=4 3077 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,1,0,0,0,0|3,0,0]=4 3078 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,1,0,0,0,0|3,0,0]=4 3079 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,1,0,0,0,0|3,0,0]=4 3080 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,1,0,0,0,0|1,0,2]=4 3081 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|1,0,1]=3 3082 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|1,0,1]=3 3083 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|2,0,1]=4 3084 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|2,0,1]=4 3085 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|2,0,1]=4 3086 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|2,0,1]=4 3087 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|2,0,1]=4 3088 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|2,0,1]=4 3089 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,1,0,0,0,0|2,0,0]=3 3090 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,0,0,0,0|2,0,0]=3 3091 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,0,0,0,0|2,0,0]=3 3092 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 3093 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 3094 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 3095 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|2,0,1]=4 3096 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,0,0,0,0|2,0,0]=3 3097 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,1,0,0,0,0|3,0,0]=4 3098 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,0,0,0,0|2,0,0]=3 3099 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,0,0,0,0|2,0,0]=3 3100 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,1,0,0,0,0|3,0,0]=4 3101 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,1,0,0,0,0|3,0,0]=4 3102 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,1,0,0,0,0|3,0,0]=4 3103 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,0|3,0,0]=4 3104 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,0,0,0,0|2,0,0]=3 3105 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,0,0,0,0|2,0,0]=3 3106 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|3,0,0]=4 3107 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,1,0,0,0,0|3,0,0]=4 3108 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,1,0,0,0,0|3,0,0]=4 3109 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|3,0,0]=4 3110 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|3,0,0]=4 3111 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,1,0,0,0,0|2,0,1]=4 3112 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,1,0,0,0,0|2,0,1]=4 3113 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,1,0,0,0,0|2,0,1]=4 3114 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,1,0,0,0,0|2,0,1]=4 3115 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,1,0,0,0,0|2,0,1]=4 3116 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,0]=3 3117 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,0|2,0,1]=4 3118 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|2,0,0]=3 3119 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|2,0,0]=3 3120 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,0|2,0,0]=3 3121 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,0|2,0,0]=3 3122 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,0|2,0,0]=3 3123 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,0|2,0,0]=3 3124 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,0|2,0,1]=4 3125 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,0|2,0,1]=4 3126 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,1]=4 3127 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|2,0,1]=4 3128 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|2,0,1]=4 3129 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|2,0,1]=4 3130 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|2,0,1]=4 3131 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,0|3,0,0]=4 3132 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,0|3,0,0]=4 3133 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,0|3,0,0]=4 3134 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|3,0,0]=4 3135 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|3,0,0]=4 3136 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,0|3,0,0]=4 3137 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,0|3,0,0]=4 3138 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,0|3,0,0]=4 3139 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,2]=4 3140 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,2]=4 3141 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|1,0,1]=3 3142 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,2]=4 3143 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,2]=4 3144 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|0,0,3]=4 3145 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,0,0,0,0|2,0,1]=4 3146 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|2,0,1]=4 3147 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|1,0,1]=3 3148 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,1,0,0,0,0|2,0,1]=4 3149 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|1,0,1]=3 3150 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|1,0,1]=3 3151 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|1,0,1]=3 3152 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,0,0,0,0|2,0,1]=4 3153 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,0,0,0,0|2,0,1]=4 3154 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,0,0,0,0|2,0,1]=4 3155 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|1,0,1]=3 3156 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,0|2,0,1]=4 3157 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,0|2,0,1]=4 3158 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|0,0,0]=1 3159 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|0,0,0]=1 3160 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,0|1,0,0]=2 3161 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,0|1,0,0]=2 3162 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,0|1,0,0]=2 3163 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,0|1,0,0]=2 3164 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,1,0,0,0,0|2,0,1]=4 3165 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,1,0,0,0,0|2,0,1]=4 3166 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,1,0,0,0,0|2,0,1]=4 3167 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,1,0,0,0,0|2,0,1]=4 3168 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,1,0,0,0,0|2,0,1]=4 3169 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,1,0,0,0,0|2,0,1]=4 3170 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|2,0,0]=3 3171 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|2,0,0]=3 3172 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|2,0,0]=3 3173 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,0,0,0,0|2,0,1]=4 3174 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,0,0,0,0|2,0,1]=4 3175 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,0,0,0,0|2,0,1]=4 3176 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,0,0,0,0|2,0,1]=4 3177 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,0,0,0,0|1,0,2]=4 3178 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,0,0,0,0|1,0,2]=4 3179 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,0,0,0,0|1,0,2]=4 3180 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,0,0,0,0|1,0,2]=4 3181 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,0|2,0,0]=3 3182 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|1,0,0]=2 3183 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|2,0,0]=3 3184 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,0,0,0,0|2,0,1]=4 3185 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,0,0,0,0|2,0,1]=4 3186 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,0,0,0,0|2,0,1]=4 3187 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,0,0,0,0|2,0,1]=4 3188 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|1,0,2]=4 3189 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,0,0,0,0|2,0,1]=4 3190 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,0,0,0,0|2,0,1]=4 3191 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|1,0,2]=4 3192 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|2,0,0]=3 3193 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|2,0,0]=3 3194 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|2,0,0]=3 3195 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|2,0,0]=3 3196 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,1,0,0,0,0|2,0,1]=4 3197 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,1,0,0,0,0|2,0,1]=4 3198 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,0,0,0,0|1,0,2]=4 3199 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,0,0,0,0|1,0,2]=4 3200 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,0,0,0,0|1,0,2]=4 3201 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,0,0,0,0|1,0,2]=4 3202 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,1,0,0,0,0|3,0,0]=4 3203 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|1,0,0]=2 3204 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|1,0,0]=2 3205 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|1,0,0]=2 3206 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,0,0,0,0|2,0,1]=4 3207 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,0,0,0,0|2,0,1]=4 3208 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,0,0,0,0|2,0,1]=4 3209 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,0|2,0,1]=4 3210 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,0,0,0,0|2,0,1]=4 3211 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,0,0,0,0|2,0,1]=4 3212 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,1,0,0,0,0|2,0,1]=4 3213 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,1,0,0,0,0|2,0,1]=4 3214 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|1,0,0]=2 3215 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|1,0,0]=2 3216 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,0|2,0,0]=3 3217 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,0|2,0,0]=3 3218 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,0|2,0,0]=3 3219 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,0|2,0,0]=3 3220 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|1,0,0]=2 3221 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|2,0,1]=4 3222 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|2,0,1]=4 3223 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|2,0,1]=4 3224 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|2,0,1]=4 3225 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|2,0,1]=4 3226 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|2,0,1]=4 3227 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,0,0,0,0|1,0,2]=4 3228 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,0,0,0,0|1,0,2]=4 3229 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [0,1,0,0,0,0|3,0,0]=4 3230 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [0,1,0,0,0,0|3,0,0]=4 3231 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [0,1,0,0,0,0|3,0,0]=4 3232 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,0,0,0,0|2,0,0]=3 3233 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,0|2,0,0]=3 3234 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|2,0,1]=4 3235 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|2,0,1]=4 3236 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [0,1,0,0,0,0|3,0,0]=4 3237 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|1,0,0]=2 3238 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|1,0,0]=2 3239 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,1,0,0,0,0|2,0,1]=4 3240 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,1,0,0,0,0|2,0,1]=4 3241 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,1,0,0,0,0|2,0,1]=4 3242 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,1,0,0,0,0|2,0,1]=4 3243 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,1,0,0,0,0|2,0,1]=4 3244 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,1,0,0,0,0|2,0,1]=4 3245 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|1,0,1]=3 3246 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 3247 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 3248 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|1,0,1]=3 3249 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 3250 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|2,0,1]=4 3251 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 3252 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 3253 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 3254 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|2,0,1]=4 3255 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 3256 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 3257 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 3258 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|2,0,1]=4 3259 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|2,0,1]=4 3260 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 3261 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|2,0,1]=4 3262 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,1]=4 3263 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,1]=4 3264 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,1]=4 3265 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,1]=4 3266 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,0|2,0,0]=3 3267 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|1,0,1]=3 3268 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|1,0,1]=3 3269 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|2,0,1]=4 3270 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,1]=4 3271 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,1]=4 3272 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|2,0,1]=4 3273 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|2,0,1]=4 3274 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|2,0,1]=4 3275 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|3,0,0]=4 3276 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,0,0,0,0|3,0,0]=4 3277 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,0,0,0,0|3,0,0]=4 3278 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,0,0,0,0|3,0,0]=4 3279 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,0,0,0,0|3,0,0]=4 3280 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,0|2,0,0]=3 3281 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,0|2,0,0]=3 3282 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,0|2,0,0]=3 3283 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,0|2,0,0]=3 3284 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|2,0,1]=4 3285 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|2,0,1]=4 3286 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,0|3,0,0]=4 3287 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|3,0,0]=4 3288 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,0|3,0,0]=4 3289 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,0|3,0,0]=4 3290 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,0|3,0,0]=4 3291 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,0|3,0,0]=4 3292 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|2,0,1]=4 3293 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,1,0,0,0,0|1,0,2]=4 3294 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,1,0,0,0,0|1,0,2]=4 3295 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [0,1,0,0,0,0|2,0,1]=4 3296 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [0,1,0,0,0,0|2,0,0]=3 3297 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [0,1,0,0,0,0|2,0,1]=4 3298 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [0,1,0,0,0,0|2,0,1]=4 3299 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [0,1,0,0,0,0|2,0,1]=4 3300 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [0,1,0,0,0,0|2,0,1]=4 3301 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [0,1,0,0,0,0|2,0,1]=4 3302 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [0,1,0,0,0,0|2,0,1]=4 3303 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [0,1,0,0,0,0|2,0,1]=4 3304 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [0,1,0,0,0,0|2,0,1]=4 3305 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,1,0,0,0,0|1,0,2]=4 3306 B8R0.21 CCCNNS(=O)(=O)C 40a_100000740057_100000738038 [0,1,0,0,0,0|3,0,0]=4 3307 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [0,1,0,0,0,0|2,0,1]=4 3308 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [0,1,0,0,0,0|2,0,1]=4 3309 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [0,1,0,0,0,0|2,0,1]=4 3310 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [0,1,0,0,0,0|1,0,2]=4 3311 B8R0.21 CCCOCC(C)(F)F 34a_100000068830_100000210303 [0,1,0,0,0,0|2,0,1]=4 3312 B8R0.21 CCCOCS(=O)(=O)[O-] 34a_100000210258_100009817235 [0,1,0,0,0,0|3,0,0]=4 3313 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [0,1,0,0,0,0|2,0,1]=4 3314 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [0,1,0,0,0,0|2,0,1]=4 3315 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [0,1,0,0,0,0|2,0,1]=4 3316 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [0,1,0,0,0,0|2,0,1]=4 3317 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [0,1,0,0,0,0|1,0,2]=4 3318 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [0,1,0,0,0,0|1,0,2]=4 3319 B8R0.21 CCCSCS(=O)(=O)N 62a_100000210303_100000741382 [0,1,0,0,0,0|3,0,0]=4 3320 B8R0.21 CCCSCS(=O)(=O)N 62a_100000741382_100000210303 [0,1,0,0,0,0|3,0,0]=4 3321 B8R0.21 CCCSCS(=O)(=O)[O-] 62a_100000210303_100009817235 [0,1,0,0,0,0|3,0,0]=4 3322 B8R0.21 CCCSCS(=O)(=O)[O-] 62a_100009817235_100000210303 [0,1,0,0,0,0|3,0,0]=4 3323 B8R0.21 CCCSC[N+](C)(C)C 62a_100000210303_200000036245 [0,1,0,0,0,0|3,0,0]=4 3324 B8R0.21 CCCSC[N+](C)(C)C 62a_200000036245_100000210303 [0,1,0,0,0,0|3,0,0]=4 3325 B8R0.21 CCCSC[Si](C)(C)C 62a_100000037933_100000210303 [0,1,0,0,0,0|2,1,0]=4 3326 B8R0.21 CCCSC[Si](C)(C)C 62a_100000210303_100000037933 [0,1,0,0,0,0|2,1,0]=4 3327 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [0,1,0,0,0,0|2,0,1]=4 3328 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [0,1,0,0,0,0|2,0,1]=4 3329 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [0,1,0,0,0,0|2,0,1]=4 3330 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,1,0,0,0,0|1,0,2]=4 3331 B8R0.21 CCNCCS(=O)(=O)C 2230a_100000740961_100000210202 [0,1,0,0,0,0|2,0,0]=3 3332 B8R0.21 CCNCCS(=O)(=O)C 2230a_100015525214_100000731031 [0,1,0,0,0,0|2,0,0]=3 3333 B8R0.21 CCNCCS(=O)(=O)C 34a_100000740961_100000210202 [0,1,0,0,0,0|2,0,0]=3 3334 B8R0.21 CCNCCS(=O)(=O)N 2230a_100000738205_100000210202 [0,1,0,0,0,0|3,0,0]=4 3335 B8R0.21 CCNCCS(=O)(=O)N 34a_100000738205_100000210202 [0,1,0,0,0,0|3,0,0]=4 3336 B8R0.21 CCNCCS(=O)(=O)[O-] 2230a_100015525214_100000737633 [0,1,0,0,0,0|3,0,0]=4 3337 B8R0.21 CCNCC[Si](C)(C)C 2230a_100015525214_200000733723 [0,1,0,0,0,0|2,1,0]=4 3338 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [0,1,0,0,0,0|2,0,1]=4 3339 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [0,1,0,0,0,0|2,0,1]=4 3340 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,1,0,0,0,0|1,0,2]=4 3341 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [0,1,0,0,0,0|2,0,0]=3 3342 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [0,1,0,0,0,0|2,0,0]=3 3343 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [0,1,0,0,0,0|2,0,0]=3 3344 B8R0.21 CCOCCS(=O)(=O)N 34a_100012334274_100000210202 [0,1,0,0,0,0|3,0,0]=4 3345 B8R0.21 CCOCCS(=O)(=O)[O-] 34a_100121572206_100000762736 [0,1,0,0,0,0|3,0,0]=4 3346 B8R0.21 CCOCC[N+](C)(C)C 34a_100121572206_100000085578 [0,1,0,0,0,0|3,0,0]=4 3347 B8R0.21 CCOCC[N+](C)(C)C 7a_200020618287_100000210202 [0,1,0,0,0,0|3,0,0]=4 3348 B8R0.21 CCOCC[Si](C)(C)C 34a_100121572206_200000733723 [0,1,0,0,0,0|2,1,0]=4 3349 B8R0.21 CCOCC[Si](C)(C)C 7a_100000039746_100000210202 [0,1,0,0,0,0|2,1,0]=4 3350 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [0,1,0,0,0,0|2,0,1]=4 3351 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [0,1,0,0,0,0|2,0,1]=4 3352 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,1,0,0,0,0|1,0,2]=4 3353 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,1,0,0,0,0|1,0,2]=4 3354 B8R0.21 CCSCCS(=O)(=O)C 62a_100000210202_100000230027 [0,1,0,0,0,0|2,0,0]=3 3355 B8R0.21 CCSCCS(=O)(=O)C 62a_100000731031_100000210202 [0,1,0,0,0,0|2,0,0]=3 3356 B8R0.21 CCSCCS(=O)(=O)[O-] 62a_100000210202_100000762736 [0,1,0,0,0,0|3,0,0]=4 3357 B8R0.21 CCSCCS(=O)(=O)[O-] 62a_100000762736_100000210202 [0,1,0,0,0,0|3,0,0]=4 3358 B8R0.21 CCSCC[N+](C)(C)C 62a_100000085578_100000210202 [0,1,0,0,0,0|3,0,0]=4 3359 B8R0.21 CCSCC[N+](C)(C)C 62a_100000210202_100000085578 [0,1,0,0,0,0|3,0,0]=4 3360 B8R0.21 CCSCC[Si](C)(C)C 62a_100000210202_200000733723 [0,1,0,0,0,0|2,1,0]=4 3361 B8R0.21 CCSCC[Si](C)(C)C 62a_200000733723_100000210202 [0,1,0,0,0,0|2,1,0]=4 3362 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,1,0,0,0,0|1,0,2]=4 3363 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,1,0,0,0,0|1,0,2]=4 3364 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,1,0,0,0,0|1,0,2]=4 3365 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [0,1,0,0,0,0|2,0,0]=3 3366 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [0,1,0,0,0,0|2,0,0]=3 3367 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [0,1,0,0,0,0|2,0,0]=3 3368 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [0,1,0,0,0,0|2,0,0]=3 3369 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [0,1,0,0,0,0|2,0,0]=3 3370 B8R0.21 CNCCCS(=O)(=O)N 2230a_106832991635_100000750626 [0,1,0,0,0,0|3,0,0]=4 3371 B8R0.21 CNCCCS(=O)(=O)N 34a_100102657272_100000750626 [0,1,0,0,0,0|3,0,0]=4 3372 B8R0.21 CNCCCS(=O)(=O)N 7a_106832991635_100000750626 [0,1,0,0,0,0|3,0,0]=4 3373 B8R0.21 CNCCCS(=O)(=O)[O-] 34a_100102657272_100009813499 [0,1,0,0,0,0|3,0,0]=4 3374 B8R0.21 CNCCC[N+](C)(C)C 2230a_106832991635_100016990835 [0,1,0,0,0,0|3,0,0]=4 3375 B8R0.21 CNCCC[N+](C)(C)C 34a_100102657272_100016990835 [0,1,0,0,0,0|3,0,0]=4 3376 B8R0.21 CNCCC[N+](C)(C)C 7a_106832991635_100016990835 [0,1,0,0,0,0|3,0,0]=4 3377 B8R0.21 CNCCC[Si](C)(C)C 2230a_106832991635_100011219597 [0,1,0,0,0,0|2,1,0]=4 3378 B8R0.21 CNCCC[Si](C)(C)C 34a_100102657272_100011219597 [0,1,0,0,0,0|2,1,0]=4 3379 B8R0.21 CNCCC[Si](C)(C)C 7a_106832991635_100011219597 [0,1,0,0,0,0|2,1,0]=4 3380 B8R0.21 CNCCNS(=O)(=O)C 2230a_106832991635_100000754112 [0,1,0,0,0,0|3,0,0]=4 3381 B8R0.21 CNCCNS(=O)(=O)C 34a_100000752411_200000210301 [0,1,0,0,0,0|3,0,0]=4 3382 B8R0.21 CNCCNS(=O)(=O)C 7a_106832991635_100000754112 [0,1,0,0,0,0|3,0,0]=4 3383 B8R0.21 CNCCOS(=O)(=O)C 2230a_106832991635_200000036756 [0,1,0,0,0,0|3,0,0]=4 3384 B8R0.21 CNCCOS(=O)(=O)C 34a_100102657272_200000036756 [0,1,0,0,0,0|3,0,0]=4 3385 B8R0.21 CNCCOS(=O)(=O)C 7a_106832991635_200000036756 [0,1,0,0,0,0|3,0,0]=4 3386 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,1,0,0,0,0|1,0,2]=4 3387 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [0,1,0,0,0,0|2,0,0]=3 3388 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [0,1,0,0,0,0|2,0,0]=3 3389 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [0,1,0,0,0,0|2,0,0]=3 3390 B8R0.21 COCCCS(=O)(=O)N 34a_100138415774_100000750626 [0,1,0,0,0,0|3,0,0]=4 3391 B8R0.21 COCCCS(=O)(=O)[O-] 34a_100138415774_100009813499 [0,1,0,0,0,0|3,0,0]=4 3392 B8R0.21 COCCC[N+](C)(C)C 34a_100138415774_100016990835 [0,1,0,0,0,0|3,0,0]=4 3393 B8R0.21 COCCC[Si](C)(C)C 34a_100138415774_100011219597 [0,1,0,0,0,0|2,1,0]=4 3394 B8R0.21 COCCC[Si](C)(C)C 7a_200011215415_200000210301 [0,1,0,0,0,0|2,1,0]=4 3395 B8R0.21 COCCNS(=O)(=O)C 40a_100000209980_100000738038 [0,1,0,0,0,0|3,0,0]=4 3396 B8R0.21 COCCOS(=O)(=O)C 34a_100138415774_200000036756 [0,1,0,0,0,0|3,0,0]=4 3397 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [0,1,0,0,0,0|2,0,0]=3 3398 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [0,1,0,0,0,0|2,0,0]=3 3399 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [0,1,0,0,0,0|2,0,0]=3 3400 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [0,1,0,0,0,0|2,0,0]=3 3401 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [0,1,0,0,0,0|2,0,0]=3 3402 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [0,1,0,0,0,0|2,0,0]=3 3403 B8R0.21 CS(=O)(=O)CCNCF 34a_100000740961_100015361967 [0,1,0,0,0,0|3,0,0]=4 3404 B8R0.21 CS(=O)(=O)CCOCF 34a_100000211924_100015361967 [0,1,0,0,0,0|3,0,0]=4 3405 B8R0.21 CS(=O)(=O)CCOCF 7a_100000211924_100015361967 [0,1,0,0,0,0|3,0,0]=4 3406 B8R0.21 CS(=O)(=O)CCSCF 62a_100000731031_100015361967 [0,1,0,0,0,0|3,0,0]=4 3407 B8R0.21 CS(=O)(=O)CCSCF 62a_100015361967_100000230027 [0,1,0,0,0,0|3,0,0]=4 3408 B8R0.21 CS(=O)(=O)NCCCF 40a_100015189416_100000738038 [0,1,0,0,0,0|3,0,0]=4 3409 B8R0.21 CS(=O)(=O)NCCCO 40a_100000182051_100000738038 [0,1,0,0,0,0|3,0,0]=4 3410 B8R0.21 CS(=O)(=O)NCCN[13CH3] 34a_100000752411_200025704644 [0,1,0,0,0,0|3,0,0]=4 3411 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_100000754112_200025704644 [0,1,0,0,0,0|3,0,0]=4 3412 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_200025704644_100000754112 [0,1,0,0,0,0|3,0,0]=4 3413 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200000036756_200025704644 [0,1,0,0,0,0|3,0,0]=4 3414 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200025704644_200000036756 [0,1,0,0,0,0|3,0,0]=4 3415 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,1,0,0,0,0|1,0,2]=4 3416 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,1,0,0,0,0|1,0,2]=4 3417 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [0,1,0,0,0,0|2,0,0]=3 3418 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [0,1,0,0,0,0|2,0,0]=3 3419 B8R0.21 CSCCCS(=O)(=O)N 62a_100000750626_200000210301 [0,1,0,0,0,0|3,0,0]=4 3420 B8R0.21 CSCCCS(=O)(=O)N 62a_200000210301_100000750626 [0,1,0,0,0,0|3,0,0]=4 3421 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_100009813499_200000210301 [0,1,0,0,0,0|3,0,0]=4 3422 B8R0.21 CSCCCS(=O)(=O)[O-] 62a_200000210301_100009813499 [0,1,0,0,0,0|3,0,0]=4 3423 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [0,1,0,0,0,0|3,0,0]=4 3424 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [0,1,0,0,0,0|3,0,0]=4 3425 B8R0.21 CSCCC[Si](C)(C)C 62a_100011219597_200000210301 [0,1,0,0,0,0|2,1,0]=4 3426 B8R0.21 CSCCC[Si](C)(C)C 62a_200000210301_100011219597 [0,1,0,0,0,0|2,1,0]=4 3427 B8R0.21 CSCCNS(=O)(=O)C 40a_100020590264_100000738038 [0,1,0,0,0,0|3,0,0]=4 3428 B8R0.21 CSCCNS(=O)(=O)C 62a_100000754112_200000210301 [0,1,0,0,0,0|3,0,0]=4 3429 B8R0.21 CSCCNS(=O)(=O)C 62a_200000210301_100000754112 [0,1,0,0,0,0|3,0,0]=4 3430 B8R0.21 CSCCOS(=O)(=O)C 62a_200000036756_200000210301 [0,1,0,0,0,0|3,0,0]=4 3431 B8R0.21 CSCCOS(=O)(=O)C 62a_200000210301_200000036756 [0,1,0,0,0,0|3,0,0]=4 3432 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [0,1,0,0,0,0|3,0,0]=4 3433 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [0,1,0,0,0,0|3,0,0]=4 3434 B8R0.21 C[Si](C)(C)CCCO[13CH3] 7a_200011215415_200025704644 [0,1,0,0,0,0|2,1,0]=4 3435 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_100011219597_200025704644 [0,1,0,0,0,0|2,1,0]=4 3436 B8R0.21 C[Si](C)(C)CCCS[13CH3] 62a_200025704644_100011219597 [0,1,0,0,0,0|2,1,0]=4 3437 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_100000750626_200025704644 [0,1,0,0,0,0|3,0,0]=4 3438 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_200025704644_100000750626 [0,1,0,0,0,0|3,0,0]=4 3439 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_100009813499_200025704644 [0,1,0,0,0,0|3,0,0]=4 3440 B8R0.21 [13CH3]SCCCS(=O)(=O)[O-] 62a_200025704644_100009813499 [0,1,0,0,0,0|3,0,0]=4 3441 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,1,0,0,0,0|2,0,1]=4 3442 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,1,0,0,0,0|2,0,0]=3 3443 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,1,0,0,0,0|2,0,0]=3 3444 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,1,0,0,0,0|2,0,0]=3 3445 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,1,0,0,0,0|2,0,0]=3 3446 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,1,0,0,0,0|2,0,0]=3 3447 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,1,0,0,0,0|2,0,0]=3 3448 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,1,0,0,0,0|2,0,1]=4 3449 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,0,0,0,0|2,0,1]=4 3450 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,1,0,0,0,0|2,0,0]=3 3451 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,1,0,0,0,0|2,0,0]=3 3452 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,1,0,0,0,0|2,0,0]=3 3453 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,1,0,0,0,0|2,0,0]=3 3454 B8R0.28 C=C(C)CNCC(F)F 34a_100000765723_100000748629 [0,1,0,0,0,0|3,0,0]=4 3455 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,1,0,0,0,0|2,0,1]=4 3456 B8R0.28 C=C(C)COCC(=C)C 34a_100000210245_100000748629 [0,1,0,0,0,0|2,0,1]=4 3457 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,1,0,0,0,0|1,0,1]=3 3458 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,1,0,0,0,0|2,0,1]=4 3459 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,1,0,0,0,0|2,0,1]=4 3460 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,1,0,0,0,0|2,0,0]=3 3461 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,1,0,0,0,0|2,0,0]=3 3462 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,1,0,0,0,0|2,0,0]=3 3463 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,1,0,0,0,0|2,0,0]=3 3464 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,1,0,0,0,0|2,0,0]=3 3465 B8R0.28 C=C(C)COCC(F)F 34a_100000210245_100011934356 [0,1,0,0,0,0|3,0,0]=4 3466 B8R0.28 C=C(C)COCC(F)F 34a_100000743014_100000748629 [0,1,0,0,0,0|3,0,0]=4 3467 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,1,0,0,0,0|2,0,0]=3 3468 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,1,0,0,0,0|2,0,0]=3 3469 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,1,0,0,0,0|2,0,0]=3 3470 B8R0.28 C=C(C)CSCC(=C)C 62a_100000748629_100000211660 [0,1,0,0,0,0|2,0,1]=4 3471 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,1,0,0,0,0|2,0,1]=4 3472 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,1,0,0,0,0|2,0,1]=4 3473 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,1,0,0,0,0|2,0,1]=4 3474 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,1,0,0,0,0|2,0,1]=4 3475 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,1,0,0,0,0|2,0,0]=3 3476 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,1,0,0,0,0|2,0,0]=3 3477 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,1,0,0,0,0|2,0,0]=3 3478 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,1,0,0,0,0|2,0,0]=3 3479 B8R0.28 C=C(C)CSCC(F)F 62a_100000748629_100011934356 [0,1,0,0,0,0|3,0,0]=4 3480 B8R0.28 C=C(C)CSCC(F)F 62a_100011934356_100000211660 [0,1,0,0,0,0|3,0,0]=4 3481 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,1,0,0,0,0|2,0,0]=3 3482 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,1,0,0,0,0|2,0,0]=3 3483 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,1,0,0,0,0|2,0,1]=4 3484 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,1,0,0,0,0|2,0,1]=4 3485 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,1,0,0,0,0|2,0,1]=4 3486 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,1,0,0,0,0|2,0,1]=4 3487 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,1,0,0,0,0|1,0,2]=4 3488 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [0,1,0,0,0,0|2,0,1]=4 3489 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,1,0,0,0,0|2,0,1]=4 3490 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,1,0,0,0,0|2,0,1]=4 3491 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [0,1,0,0,0,0|2,0,1]=4 3492 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,1,0,0,0,0|2,0,1]=4 3493 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [0,1,0,0,0,0|2,0,1]=4 3494 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,1,0,0,0,0|2,0,1]=4 3495 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,1,0,0,0,0|2,0,1]=4 3496 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,1,0,0,0,0|2,0,1]=4 3497 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,1,0,0,0,0|2,0,1]=4 3498 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [0,1,0,0,0,0|2,0,1]=4 3499 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [0,1,0,0,0,0|2,0,1]=4 3500 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [0,1,0,0,0,0|2,0,1]=4 3501 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [0,1,0,0,0,0|2,0,1]=4 3502 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,1,0,0,0,0|2,0,1]=4 3503 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,1,0,0,0,0|2,0,1]=4 3504 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,1,0,0,0,0|2,0,1]=4 3505 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,1,0,0,0,0|2,0,1]=4 3506 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,1,0,0,0,0|2,0,1]=4 3507 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,1,0,0,0,0|2,0,1]=4 3508 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,1,0,0,0,0|2,0,1]=4 3509 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,1,0,0,0,0|2,0,1]=4 3510 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,1,0,0,0,0|2,0,1]=4 3511 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,1,0,0,0,0|0,0,2]=3 3512 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,1,0,0,0,0|1,0,2]=4 3513 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,1,0,0,0,0|0,0,2]=3 3514 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,1,0,0,0,0|1,0,2]=4 3515 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,0,0,0,0|0,0,1]=2 3516 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,0,0,0,0|1,0,1]=3 3517 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|0,0,0]=1 3518 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|0,0,0]=1 3519 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,0,0,0,0|0,0,0]=1 3520 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,0,0,0,0|1,0,0]=2 3521 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,0,0,0,0|1,0,0]=2 3522 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,1,0,0,0,0|2,0,0]=3 3523 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,1,0,0,0,0|2,0,1]=4 3524 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,1,0,0,0,0|1,0,1]=3 3525 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,1,0,0,0,0|1,0,1]=3 3526 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,1,0,0,0,0|2,0,1]=4 3527 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,1,0,0,0,0|2,0,1]=4 3528 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,0,0,0,0|1,0,1]=3 3529 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,1,0,0,0,0|2,0,1]=4 3530 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,0,0,0,0|1,0,0]=2 3531 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,0,0,0,0|1,0,0]=2 3532 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,0,0,0,0|1,0,0]=2 3533 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,1,0,0,0,0|1,0,1]=3 3534 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,0,0,0,0|1,0,0]=2 3535 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,0,0,0,0|1,0,0]=2 3536 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,0,0,0,0|1,0,0]=2 3537 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,1,0,0,0,0|2,0,1]=4 3538 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,1,0,0,0,0|2,0,1]=4 3539 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,1,0,0,0,0|2,0,1]=4 3540 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,0,0,0,0|1,0,0]=2 3541 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,0,0,0,0|1,0,0]=2 3542 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,0,0,0,0|1,0,0]=2 3543 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,1,0,0,0,0|2,0,0]=3 3544 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,0,0,0,0|1,0,0]=2 3545 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [0,1,0,0,0,0|3,0,0]=4 3546 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,1,0,0,0,0|1,0,2]=4 3547 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,1,0,0,0,0|1,0,2]=4 3548 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,1,0,0,0,0|1,0,2]=4 3549 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,1,0,0,0,0|2,0,1]=4 3550 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,1,0,0,0,0|2,0,1]=4 3551 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,1,0,0,0,0|2,0,1]=4 3552 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,1,0,0,0,0|1,0,1]=3 3553 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|1,0,0]=2 3554 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|1,0,0]=2 3555 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|1,0,0]=2 3556 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|1,0,0]=2 3557 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,0,0,0,0|1,0,0]=2 3558 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,0,0,0,0|1,0,0]=2 3559 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,1,0,0,0,0|2,0,0]=3 3560 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,1,0,0,0,0|2,0,0]=3 3561 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,1,0,0,0,0|2,0,0]=3 3562 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,1,0,0,0,0|2,0,0]=3 3563 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,1,0,0,0,0|2,0,1]=4 3564 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,0,0,0,0|2,0,0]=3 3565 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,0,0,0,0|2,0,0]=3 3566 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,1,0,0,0,0|2,0,0]=3 3567 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,1,0,0,0,0|2,0,0]=3 3568 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,1,0,0,0,0|2,0,0]=3 3569 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,1,0,0,0,0|2,0,0]=3 3570 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,1,0,0,0,0|2,0,0]=3 3571 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,1,0,0,0,0|1,0,1]=3 3572 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,1,0,0,0,0|2,0,1]=4 3573 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,0,0,0,0|2,0,0]=3 3574 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,0,0,0,0|2,0,0]=3 3575 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,1,0,0,0,0|1,0,2]=4 3576 B8R0.28 CC(Br)COC[N+](=O)[O-] 34a_100012180447_100000761209 [0,1,0,0,0,0|3,0,0]=4 3577 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,1,0,0,0,0|0,0,2]=3 3578 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|0,0,0]=1 3579 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,1,0,0,0,0|2,0,0]=3 3580 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,1,0,0,0,0|2,0,0]=3 3581 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,1,0,0,0,0|2,0,1]=4 3582 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,1,0,0,0,0|2,0,1]=4 3583 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,1,0,0,0,0|2,0,1]=4 3584 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,1,0,0,0,0|2,0,1]=4 3585 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,1,0,0,0,0|2,0,1]=4 3586 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,1,0,0,0,0|2,0,1]=4 3587 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,1,0,0,0,0|2,0,1]=4 3588 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,0,0,0,0|2,0,0]=3 3589 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,0,0,0,0|2,0,0]=3 3590 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,0,0,0,0|2,0,0]=3 3591 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,0,0,0,0|2,0,0]=3 3592 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,0,0,0,0|2,0,0]=3 3593 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,1,0,0,0,0|2,0,1]=4 3594 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,1,0,0,0,0|2,0,1]=4 3595 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,1,0,0,0,0|2,0,1]=4 3596 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,1,0,0,0,0|1,0,2]=4 3597 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,1,0,0,0,0|1,0,2]=4 3598 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,1,0,0,0,0|1,0,2]=4 3599 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,1,0,0,0,0|1,0,2]=4 3600 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,1,0,0,0,0|1,0,2]=4 3601 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,1,0,0,0,0|1,0,2]=4 3602 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,1,0,0,0,0|1,0,2]=4 3603 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,1,0,0,0,0|3,0,0]=4 3604 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,0,0,0,0|2,0,0]=3 3605 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,0,0,0,0|1,0,0]=2 3606 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,0,0,0,0|2,0,0]=3 3607 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,1,0,0,0,0|2,0,1]=4 3608 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,1,0,0,0,0|2,0,1]=4 3609 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,1,0,0,0,0|2,0,1]=4 3610 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,1,0,0,0,0|1,0,2]=4 3611 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,1,0,0,0,0|2,0,1]=4 3612 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,1,0,0,0,0|2,0,1]=4 3613 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,1,0,0,0,0|1,0,2]=4 3614 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,1,0,0,0,0|3,0,0]=4 3615 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,0,0,0,0|2,0,0]=3 3616 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,0,0,0,0|2,0,0]=3 3617 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,0,0,0,0|2,0,0]=3 3618 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,0,0,0,0|2,0,0]=3 3619 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,1,0,0,0,0|2,0,1]=4 3620 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,1,0,0,0,0|1,0,2]=4 3621 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,1,0,0,0,0|1,0,2]=4 3622 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,1,0,0,0,0|1,0,2]=4 3623 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,1,0,0,0,0|1,0,2]=4 3624 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,1,0,0,0,0|3,0,0]=4 3625 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,0,0,0,0|2,0,0]=3 3626 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,0,0,0,0|2,0,0]=3 3627 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,0,0,0,0|3,0,0]=4 3628 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,0,0,0,0|2,0,0]=3 3629 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,0,0,0,0|2,0,0]=3 3630 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,0,0,0,0|2,0,0]=3 3631 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,1,0,0,0,0|3,0,0]=4 3632 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,1,0,0,0,0|3,0,0]=4 3633 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,1,0,0,0,0|2,0,1]=4 3634 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,0,0,0,0|2,0,0]=3 3635 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,0,0,0,0|2,0,0]=3 3636 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,1,0,0,0,0|3,0,0]=4 3637 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,1,0,0,0,0|3,0,0]=4 3638 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,1,0,0,0,0|3,0,0]=4 3639 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,0,0,0,0|2,0,0]=3 3640 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,0,0,0,0|2,0,0]=3 3641 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,1,0,0,0,0|1,0,2]=4 3642 B8R0.28 CC(F)COC[N+](=O)[O-] 34a_100015925927_100000761209 [0,1,0,0,0,0|3,0,0]=4 3643 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,1,0,0,0,0|2,0,0]=3 3644 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,1,0,0,0,0|2,0,0]=3 3645 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,1,0,0,0,0|1,0,2]=4 3646 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,1,0,0,0,0|1,0,2]=4 3647 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,1,0,0,0,0|1,0,2]=4 3648 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,1,0,0,0,0|1,0,2]=4 3649 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,1,0,0,0,0|1,0,2]=4 3650 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,1,0,0,0,0|1,0,2]=4 3651 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,0,0,0,0|2,0,0]=3 3652 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,0,0,0,0|2,0,0]=3 3653 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|2,0,0]=3 3654 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,0,0,0,0|2,0,0]=3 3655 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|2,0,0]=3 3656 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,1,0,0,0,0|1,0,2]=4 3657 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,1,0,0,0,0|1,0,2]=4 3658 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,1,0,0,0,0|1,0,2]=4 3659 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|1,0,2]=4 3660 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,1,0,0,0,0|3,0,0]=4 3661 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,1,0,0,0,0|1,0,2]=4 3662 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,1,0,0,0,0|1,0,2]=4 3663 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,1,0,0,0,0|1,0,2]=4 3664 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,1,0,0,0,0|1,0,2]=4 3665 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,0,0,0,0|2,0,0]=3 3666 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,0,0,0,0|2,0,0]=3 3667 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,0,0,0,0|2,0,0]=3 3668 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,0,0,0,0|2,0,0]=3 3669 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,1,0,0,0,0|1,0,2]=4 3670 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,1,0,0,0,0|1,0,2]=4 3671 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,1,0,0,0,0|1,0,2]=4 3672 B8R0.28 CC(O)CSC[N+](=O)[O-] 62a_100011218427_100000761209 [0,1,0,0,0,0|3,0,0]=4 3673 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,1,0,0,0,0|1,0,2]=4 3674 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,0,0,0,0|2,0,0]=3 3675 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,0,0,0,0|2,0,0]=3 3676 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [0,1,0,0,0,0|3,0,0]=4 3677 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [0,1,0,0,0,0|3,0,0]=4 3678 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [0,1,0,0,0,0|3,0,0]=4 3679 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,0,0,0,0|3,0,0]=4 3680 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,0,0,0,0|3,0,0]=4 3681 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,1,0,0,0,0|3,0,0]=4 3682 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,0,0,0,0|2,0,0]=3 3683 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,0,0,0,0|2,0,0]=3 3684 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,0,0,0,0|2,0,0]=3 3685 B8R0.28 C[C@@H](Cl)COC[N+](=O)[O-] 34a_100016084084_100000761209 [0,1,0,0,0,0|3,0,0]=4 3686 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,0,0,0,0|2,0,0]=3 3687 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,0,0,0,0|2,0,0]=3 3688 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,1,0,0,0,0|1,0,2]=4 3689 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,1,0,0,0,0|3,0,0]=4 3690 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,0,0,0,0|2,0,0]=3 3691 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,0,0,0,0|2,0,0]=3 3692 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,1,0,0,0,0|1,0,2]=4 3693 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,0,0,0,0|2,0,0]=3 3694 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,0,0,0,0|2,0,0]=3 3695 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,0,0,0,0|2,0,0]=3 3696 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,0,0,0,0|2,0,0]=3 3697 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,1,0,0,0,0|1,0,2]=4 3698 B8R0.28 C[C@@H](O)CSC[N+](=O)[O-] 62a_100009817552_100000761209 [0,1,0,0,0,0|3,0,0]=4 3699 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,1,0,0,0,0|3,0,0]=4 3700 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,1,0,0,0,0|3,0,0]=4 3701 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,1,0,0,0,0|3,0,0]=4 3702 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,1,0,0,0,0|3,0,0]=4 3703 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,1,0,0,0,0|3,0,0]=4 3704 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,0,0,0,0|3,0,0]=4 3705 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,1,0,0,0,0|3,0,0]=4 3706 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,1,0,0,0,0|3,0,0]=4 3707 B8R0.28 O=C([O-])CSCC(F)F 62a_100011934356_100020667443 [0,1,0,0,0,0|3,0,0]=4 3708 B8R0.28 O=C([O-])CSCC(F)F 62a_100020667443_100011934356 [0,1,0,0,0,0|3,0,0]=4 3709 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,1,0,0,0,0|2,0,0]=3 3710 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,1,0,0,0,0|2,0,1]=4 3711 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,1,0,0,0,0|2,0,1]=4 3712 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,1,0,0,0,0|2,0,1]=4 3713 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|2,0,1]=4 3714 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,0,0,1,0,0|1,0,2]=4 3715 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,0,0,1,0,0|1,0,2]=4 3716 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3717 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,0,0,1,0,0|2,0,1]=4 3718 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3719 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|2,0,1]=4 3720 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|2,0,1]=4 3721 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|2,0,1]=4 3722 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|2,0,0]=3 3723 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3724 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3725 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3726 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,0,0,1,0,0|3,0,0]=4 3727 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|2,0,1]=4 3728 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,0,0,1,0,0|1,0,2]=4 3729 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,0,0,1,0,0|3,0,0]=4 3730 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,0|2,0,0]=3 3731 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|3,0,0]=4 3732 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,0,0,1,0,0|1,0,2]=4 3733 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|1,0,0]=2 3734 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|2,0,1]=4 3735 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,0|2,0,0]=3 3736 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|3,0,0]=4 3737 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,0,0,1,0,0|3,0,0]=4 3738 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,0,0,1,0,0|3,0,0]=4 3739 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,0,0,1,0,0|3,0,0]=4 3740 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,0,0,1,0,0|3,0,0]=4 3741 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,0,0,1,0,0|3,0,0]=4 3742 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|3,0,0]=4 3743 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3744 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3745 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3746 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,0|2,0,0]=3 3747 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,0,0,1,0,0|1,0,2]=4 3748 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|1,0,0]=2 3749 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,0|2,0,0]=3 3750 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|3,0,0]=4 3751 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,1,0,0|2,0,1]=4 3752 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,1,0,0|2,0,1]=4 3753 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,1,0,0|2,0,1]=4 3754 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,1,0,0|2,0,1]=4 3755 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,1,0,0|2,0,1]=4 3756 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,1,0,0|2,0,1]=4 3757 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|3,0,0]=4 3758 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|3,0,0]=4 3759 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|3,0,0]=4 3760 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|3,0,0]=4 3761 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|3,0,0]=4 3762 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|3,0,0]=4 3763 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,0,0,1,0,0|2,0,1]=4 3764 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,0,0,1,0,0|2,0,1]=4 3765 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,0,0,1,0,0|2,0,1]=4 3766 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,0,0,1,0,0|1,0,2]=4 3767 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,0,0,1,0,0|1,0,2]=4 3768 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,0]=3 3769 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|2,0,0]=3 3770 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|2,0,0]=3 3771 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|2,0,0]=3 3772 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|2,0,0]=3 3773 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|2,0,0]=3 3774 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|2,0,0]=3 3775 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|2,0,0]=3 3776 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,0,0,1,0,0|2,0,1]=4 3777 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,0,0,1,0,0|2,0,1]=4 3778 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,0,0,1,0,0|2,0,1]=4 3779 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,0,0,1,0,0|1,0,2]=4 3780 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,0,0,1,0,0|1,0,2]=4 3781 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,0]=3 3782 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|2,0,0]=3 3783 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,0,0,1,0,0|2,0,0]=3 3784 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,0,0,1,0,0|2,0,0]=3 3785 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,0,0,1,0,0|2,0,0]=3 3786 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,0,0,1,0,0|2,0,0]=3 3787 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,0,0,1,0,0|2,0,0]=3 3788 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,0,0,1,0,0|2,0,0]=3 3789 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,0,0,1,0,0|2,0,0]=3 3790 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,0,0,1,0,0|2,0,1]=4 3791 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,0,0,1,0,0|2,0,1]=4 3792 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,0,0,1,0,0|2,0,1]=4 3793 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [0,0,0,1,0,0|2,0,1]=4 3794 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [0,0,0,1,0,0|2,0,1]=4 3795 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [0,0,0,1,0,0|2,0,1]=4 3796 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,0,0,1,0,0|1,0,2]=4 3797 B8R1.6 CCNC1CC(C1)F 2230a_100016993743_100000210202 [0,0,0,1,0,0|2,0,1]=4 3798 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [0,0,0,1,0,0|1,0,2]=4 3799 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3800 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,0,1,0,0|3,0,0]=4 3801 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3802 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,0,1,0,0|3,0,0]=4 3803 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,0,1,0,0|1,0,0]=2 3804 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,0,0,1,0,0|1,0,0]=2 3805 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,0,0,1,0,0|1,0,0]=2 3806 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [0,0,0,1,0,0|1,0,2]=4 3807 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,0,0,1,0,0|1,0,0]=2 3808 B8R1.6 COCC1CC(C1)Cl 34a_100009874164_200000210301 [0,0,0,1,0,0|2,0,1]=4 3809 B8R1.6 COCC1CN(C1)C 2230a_100016993750_200000210301 [0,0,0,1,0,0|3,0,0]=4 3810 B8R1.6 COCC1CN(C1)C 269982a_100016993750_200000210301 [0,0,0,1,0,0|3,0,0]=4 3811 B8R1.6 COCC1CN(C1)C 34a_100016993750_200000210301 [0,0,0,1,0,0|3,0,0]=4 3812 B8R1.6 COCC1CN(C1)[13CH3] 2230a_100016993750_200025704644 [0,0,0,1,0,0|3,0,0]=4 3813 B8R1.6 COCC1CN(C1)[13CH3] 269982a_100016993750_200025704644 [0,0,0,1,0,0|3,0,0]=4 3814 B8R1.6 COCC1CN(C1)[13CH3] 34a_100016993750_200025704644 [0,0,0,1,0,0|3,0,0]=4 3815 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,0,1,0,0|1,0,0]=2 3816 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,0,1,0,0|1,0,0]=2 3817 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,0,0,1,0,0|2,0,0]=3 3818 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [0,0,0,1,0,0|1,0,2]=4 3819 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,0,0,1,0,0|1,0,0]=2 3820 B8R1.6 [13CH3]OCC1CC(C1)Cl 34a_100009874164_200025704644 [0,0,0,1,0,0|2,0,1]=4 3821 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,0,1,0,0|1,0,0]=2 3822 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,0,1,0,0|1,0,0]=2 3823 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|0,0,2]=3 3824 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,1,0,0|1,0,2]=4 3825 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,1,0,0|1,0,2]=4 3826 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,1,0,0|0,0,2]=3 3827 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|0,0,0]=1 3828 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|0,0,0]=1 3829 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|1,0,0]=2 3830 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,1,0,0|1,0,0]=2 3831 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,1,0,0|1,0,0]=2 3832 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,1,0,0|1,0,2]=4 3833 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,1,0,0|1,0,2]=4 3834 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|1,0,0]=2 3835 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|1,0,0]=2 3836 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,1,0,0|2,0,0]=3 3837 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,1,0,0|2,0,0]=3 3838 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,1,0,0|2,0,0]=3 3839 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|1,0,0]=2 3840 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [0,0,0,1,0,0|2,0,1]=4 3841 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [0,0,0,1,0,0|2,0,1]=4 3842 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,0,0,1,0,0|2,0,0]=3 3843 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,0,0,1,0,0|2,0,0]=3 3844 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,0,0,1,0,0|2,0,0]=3 3845 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,0,0,1,0,0|2,0,0]=3 3846 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,0,0,1,0,0|2,0,0]=3 3847 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,0,0,1,0,0|2,0,0]=3 3848 B8R1.7 CN(C)C1CCOC1 2230a_100016988252_200000210301 [0,0,0,1,0,0|3,0,0]=4 3849 B8R1.7 CN(C)C1CCOC1 2230a_100102631434_100000731011 [0,0,0,1,0,0|3,0,0]=4 3850 B8R1.7 CN(C)C1CCOC1 269982a_100016988252_200000210301 [0,0,0,1,0,0|3,0,0]=4 3851 B8R1.7 CN(C)C1CCOC1 269982a_100102631434_100000731011 [0,0,0,1,0,0|3,0,0]=4 3852 B8R1.7 CN(C)C1CCOC1 270004a_100102631434_100000752484 [0,0,0,1,0,0|3,0,0]=4 3853 B8R1.7 CN(C)C1CCOC1 34a_100016988252_200000210301 [0,0,0,1,0,0|3,0,0]=4 3854 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,0,0,1,0,0|3,0,0]=4 3855 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,0,0,1,0,0|2,0,0]=3 3856 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,0,0,1,0,0|2,0,0]=3 3857 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,0,0,1,0,0|2,0,0]=3 3858 B8R1.7 CN([13CH3])C1CCOC1 2230a_100016988252_200025704644 [0,0,0,1,0,0|3,0,0]=4 3859 B8R1.7 CN([13CH3])C1CCOC1 269982a_100016988252_200025704644 [0,0,0,1,0,0|3,0,0]=4 3860 B8R1.7 CN([13CH3])C1CCOC1 34a_100016988252_200025704644 [0,0,0,1,0,0|3,0,0]=4 3861 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|0,0,2]=3 3862 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,1,0,0|1,0,2]=4 3863 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,1,0,0|1,0,2]=4 3864 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,1,0,0|0,0,2]=3 3865 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|0,0,0]=1 3866 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|1,0,0]=2 3867 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,1,0,0|1,0,0]=2 3868 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|1,0,0]=2 3869 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,0,0,1,0,0|2,0,1]=4 3870 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,0,0,1,0,0|2,0,1]=4 3871 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,0,0,1,0,0|2,0,1]=4 3872 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 3873 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 3874 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,0,0,1,0,0|2,0,1]=4 3875 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,0,0,1,0,0|2,0,1]=4 3876 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,0,0,1,0,0|2,0,1]=4 3877 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,0,0,1,0,0|2,0,1]=4 3878 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,0,0,1,0,0|2,0,1]=4 3879 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,0,0,1,0,0|2,0,1]=4 3880 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,0|2,0,0]=3 3881 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,0|2,0,0]=3 3882 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,0|2,0,0]=3 3883 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,0|2,0,0]=3 3884 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,0|2,0,0]=3 3885 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,0|2,0,0]=3 3886 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|2,0,0]=3 3887 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|2,0,0]=3 3888 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|2,0,0]=3 3889 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 3890 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 3891 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,1,0,0|3,0,0]=4 3892 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|2,0,0]=3 3893 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|2,0,0]=3 3894 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|2,0,0]=3 3895 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 3896 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 3897 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,1,0,0|3,0,0]=4 3898 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,0,0,1,0,0|2,0,1]=4 3899 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,0,0,1,0,0|2,0,1]=4 3900 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,0,0,1,0,0|2,0,1]=4 3901 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,0,0,1,0,0|2,0,1]=4 3902 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,0|1,0,1]=3 3903 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|1,0,0]=2 3904 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|1,0,0]=2 3905 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|1,0,0]=2 3906 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,0,0,1,0,0|2,0,1]=4 3907 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,0,0,1,0,0|2,0,1]=4 3908 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,0]=3 3909 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,0]=3 3910 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [0,0,0,1,0,0|2,0,0]=3 3911 B8R1.34 C=C(F)CN1CCC1 269982a_100000754969_100009893438 [0,0,0,1,0,0|2,0,1]=4 3912 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,0|0,0,2]=3 3913 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,0|0,0,0]=1 3914 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,0|0,0,0]=1 3915 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,0|1,0,0]=2 3916 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,0|1,0,0]=2 3917 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,0|1,0,0]=2 3918 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,0|1,0,0]=2 3919 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,0|1,0,0]=2 3920 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,0|1,0,0]=2 3921 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,0|1,0,0]=2 3922 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,1,0,0|2,0,0]=3 3923 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,1,0,0|2,0,0]=3 3924 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,1,0,0|2,0,0]=3 3925 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,1,0,0|2,0,0]=3 3926 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,1,0,0|2,0,0]=3 3927 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,1,0,0|2,0,0]=3 3928 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,1,0,0|2,0,0]=3 3929 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,1,0,0|2,0,0]=3 3930 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [0,0,0,1,0,0|2,0,1]=4 3931 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [0,0,0,1,0,0|2,0,1]=4 3932 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [0,0,0,1,0,0|2,0,1]=4 3933 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [0,0,0,1,0,0|2,0,1]=4 3934 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,0,0,1,0,0|2,0,1]=4 3935 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,0,0,1,0,0|2,0,1]=4 3936 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [0,0,0,1,0,0|2,0,1]=4 3937 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,0,0,1,0,0|1,0,2]=4 3938 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [0,0,0,1,0,0|2,0,0]=3 3939 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [0,0,0,1,0,0|2,0,0]=3 3940 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [0,0,0,1,0,0|2,0,0]=3 3941 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [0,0,0,1,0,0|2,0,0]=3 3942 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [0,0,0,1,0,0|2,0,0]=3 3943 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,0,0,1,0,0|3,0,0]=4 3944 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,0,0,1,0,0|3,0,0]=4 3945 B8R1.34 CN(C)CC1COC1 2230a_100102631434_100010264016 [0,0,0,1,0,0|3,0,0]=4 3946 B8R1.34 CN(C)CC1COC1 269982a_100102631434_100010264016 [0,0,0,1,0,0|3,0,0]=4 3947 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [0,0,0,1,0,0|2,0,0]=3 3948 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [0,0,0,1,0,0|2,0,0]=3 3949 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [0,0,0,1,0,0|2,0,0]=3 3950 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,0,0,1,0,0|1,0,2]=4 3951 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,1,0,0|2,0,0]=3 3952 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,1,0,0|2,0,0]=3 3953 B8R1.34 O=[N+]([O-])CN1CCC1 269982a_100000754969_100000761209 [0,0,0,1,0,0|3,0,0]=4 3954 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,0|0,0,2]=3 3955 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,0|0,0,0]=1 3956 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,0|1,0,0]=2 3957 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,0,1,0,0|2,0,0]=3 3958 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,0,1,0,0|2,0,0]=3 3959 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,0,1,0,0|2,0,0]=3 3960 B8R1.35 C=C(F)CNC1CC1 34a_100000212008_100009893438 [0,0,0,1,0,0|2,0,1]=4 3961 B8R1.35 C=C(F)COC1CC1 34a_200010262243_100000211595 [0,0,0,1,0,0|2,0,1]=4 3962 B8R1.35 C=C(F)CSC1CC1 62a_100000042424_100000211595 [0,0,0,1,0,0|2,0,1]=4 3963 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|0,0,2]=3 3964 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|0,0,0]=1 3965 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|0,0,0]=1 3966 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,1,0,0|1,0,0]=2 3967 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|1,0,0]=2 3968 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,0|1,0,0]=2 3969 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,0|1,0,0]=2 3970 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,0|1,0,0]=2 3971 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,0|1,0,0]=2 3972 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,0|2,0,0]=3 3973 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [0,0,0,1,0,0|2,0,1]=4 3974 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,0,0,1,0,0|2,0,1]=4 3975 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,0,0,1,0,0|2,0,1]=4 3976 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [0,0,0,1,0,0|2,0,1]=4 3977 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [0,0,0,1,0,0|2,0,1]=4 3978 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [0,0,0,1,0,0|2,0,1]=4 3979 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [0,0,0,1,0,0|2,0,1]=4 3980 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [0,0,0,1,0,0|2,0,1]=4 3981 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [0,0,0,1,0,0|2,0,1]=4 3982 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [0,0,0,1,0,0|2,0,1]=4 3983 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [0,0,0,1,0,0|2,0,1]=4 3984 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [0,0,0,1,0,0|2,0,1]=4 3985 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [0,0,0,1,0,0|2,0,1]=4 3986 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [0,0,0,1,0,0|2,0,1]=4 3987 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,0|1,0,2]=4 3988 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,0,0,1,0,0|1,0,2]=4 3989 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,0,0,1,0,0|1,0,2]=4 3990 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,0,0,1,0,0|2,0,0]=3 3991 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,0,0,1,0,0|2,0,0]=3 3992 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [0,0,0,1,0,0|3,0,0]=4 3993 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [0,0,0,1,0,0|3,0,0]=4 3994 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [0,0,0,1,0,0|2,0,1]=4 3995 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [0,0,0,1,0,0|2,0,1]=4 3996 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,0,0,1,0,0|1,0,2]=4 3997 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,0,0,1,0,0|1,0,2]=4 3998 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|2,0,0]=3 3999 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|2,0,0]=3 4000 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|2,0,0]=3 4001 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|2,0,0]=3 4002 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|2,0,0]=3 4003 B8R1.35 O=[N+]([O-])CNC1CC1 34a_100000212008_100000761209 [0,0,0,1,0,0|3,0,0]=4 4004 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|0,0,2]=3 4005 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|0,0,0]=1 4006 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [0,0,0,1,0,0|2,0,1]=4 4007 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [0,0,0,1,0,0|2,0,1]=4 4008 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [0,0,0,1,0,0|2,0,1]=4 4009 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [0,0,0,1,0,0|2,0,1]=4 4010 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [0,0,0,1,0,0|2,0,1]=4 4011 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [0,0,0,1,0,0|2,0,1]=4 4012 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [0,0,0,1,0,0|2,0,1]=4 4013 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [0,0,0,1,0,0|2,0,1]=4 4014 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [0,0,0,1,0,0|1,0,2]=4 4015 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [0,0,0,1,0,0|1,0,2]=4 4016 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [0,0,0,1,0,0|2,0,1]=4 4017 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [0,0,0,1,0,0|2,0,1]=4 4018 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,0,0,1,0,0|1,0,2]=4 4019 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,0,0,1,0,0|1,0,2]=4 4020 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [0,0,0,1,0,0|1,1,1]=4 4021 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [0,0,0,1,0,0|1,1,1]=4 4022 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,0,0,1,0,0|1,0,2]=4 4023 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,0,0,1,0,0|1,0,2]=4 4024 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|2,0,1]=4 4025 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|2,0,1]=4 4026 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [0,0,0,1,0,0|1,0,2]=4 4027 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 4028 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|2,0,1]=4 4029 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 4030 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,0,0,1,0,0|1,0,2]=4 4031 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,0,0,1,0,0|1,0,2]=4 4032 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|2,0,1]=4 4033 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|2,0,1]=4 4034 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [0,0,0,1,0,0|1,0,2]=4 4035 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [0,0,0,1,0,0|1,0,2]=4 4036 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [0,0,0,1,0,0|1,0,2]=4 4037 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [0,0,0,1,0,0|1,0,2]=4 4038 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [0,0,0,1,0,0|1,0,2]=4 4039 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [0,0,0,1,0,0|1,0,2]=4 4040 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [0,0,0,1,0,0|1,0,2]=4 4041 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [0,0,0,1,0,0|1,0,2]=4 4042 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [0,0,0,1,0,0|1,0,2]=4 4043 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [0,0,0,1,0,0|1,0,2]=4 4044 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,0,1,0,0|1,0,1]=3 4045 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|0,0,0]=1 4046 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|0,0,0]=1 4047 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,0,1,0,0|1,0,1]=3 4048 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 4049 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 4050 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 4051 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 4052 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 4053 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 4054 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|2,0,0]=4 4055 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|2,0,0]=4 4056 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|2,0,0]=4 4057 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 4058 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 4059 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 4060 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 4061 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 4062 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 4063 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 4064 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 4065 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 4066 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 4067 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 4068 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 4069 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 4070 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 4071 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 4072 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 4073 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 4074 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 4075 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 4076 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 4077 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 4078 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 4079 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 4080 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 4081 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 4082 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 4083 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 4084 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 4085 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 4086 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 4087 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 4088 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 4089 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 4090 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|2,0,0]=4 4091 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|2,0,0]=4 4092 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 4093 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 4094 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 4095 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 4096 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 4097 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|2,0,0]=4 4098 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 4099 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 4100 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 4101 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 4102 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|2,0,0]=4 4103 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|2,0,0]=4 4104 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 4105 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 4106 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 4107 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|2,0,0]=4 4108 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 4109 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 4110 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|2,0,0]=4 4111 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|2,0,0]=4 4112 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 4113 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 4114 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,1]=4 4115 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,1]=4 4116 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,1]=4 4117 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,1]=4 4118 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,1]=4 4119 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,1]=4 4120 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,1]=4 4121 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 4122 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 4123 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 4124 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 4125 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 4126 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,1]=4 4127 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,1]=4 4128 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,1]=4 4129 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,1]=4 4130 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,1]=4 4131 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,1]=4 4132 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,1]=4 4133 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 4134 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 4135 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 4136 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 4137 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 4138 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 4139 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 4140 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 4141 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 4142 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,1]=4 4143 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,1]=4 4144 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,1]=4 4145 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,1]=4 4146 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,1]=4 4147 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 4148 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,0]=3 4149 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 4150 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,0]=3 4151 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 4152 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,0]=3 4153 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,0]=3 4154 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,0]=3 4155 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 4156 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,0]=3 4157 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 4158 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 4159 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 4160 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,0]=3 4161 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,0]=3 4162 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,0]=3 4163 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,0]=3 4164 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 4165 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,0]=3 4166 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,0]=3 4167 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 4168 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,0]=3 4169 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,0]=3 4170 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 4171 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 4172 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 4173 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 4174 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 4175 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 4176 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 4177 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 4178 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 4179 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 4180 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 4181 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 4182 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 4183 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 4184 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 4185 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|2,0,0]=4 4186 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|2,0,0]=4 4187 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|2,0,0]=4 4188 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|2,0,0]=4 4189 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|2,0,0]=4 4190 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 4191 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 4192 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 4193 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 4194 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 4195 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 4196 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 4197 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 4198 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|2,0,0]=4 4199 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|2,0,0]=4 4200 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 4201 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 4202 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 4203 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 4204 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 4205 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 4206 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 4207 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 4208 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|2,0,0]=4 4209 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|2,0,0]=4 4210 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|2,0,0]=4 4211 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|2,0,0]=4 4212 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|2,0,0]=4 4213 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|2,0,0]=4 4214 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|2,0,0]=4 4215 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|2,0,0]=4 4216 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 4217 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 4218 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 4219 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 4220 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 4221 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 4222 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|2,0,0]=4 4223 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|2,0,0]=4 4224 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|2,0,0]=4 4225 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|2,0,0]=4 4226 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 4227 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 4228 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 4229 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 4230 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 4231 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 4232 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 4233 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 4234 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 4235 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 4236 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 4237 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|2,0,0]=4 4238 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 4239 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 4240 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|2,0,0]=4 4241 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|2,0,0]=4 4242 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|2,0,0]=4 4243 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|2,0,0]=4 4244 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 4245 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 4246 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 4247 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 4248 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 4249 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 4250 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 4251 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 4252 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 4253 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 4254 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 4255 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 4256 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,1]=4 4257 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,1,0,0,0,0|2,0,0]=4 4258 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,1,0,0,0,0|2,0,0]=4 4259 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,1,0,0,0,0|2,0,0]=4 4260 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,1,0,0,0,0|2,0,0]=4 4261 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,1,0,0,0,0|2,0,0]=4 4262 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,1,0,0,0,0|2,0,0]=4 4263 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,1,0,0,0,0|2,0,0]=4 4264 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,1,0,0,0,0|2,0,0]=4 4265 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,1,0,0,0,0|0,0,2]=4 4266 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,1,0,0,0,0|0,0,2]=4 4267 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,0]=3 4268 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 4269 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 4270 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 4271 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,1,0,0,0,0|2,0,0]=4 4272 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|2,0,0]=4 4273 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|2,0,0]=4 4274 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,1,0,0,0,0|2,0,0]=4 4275 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,1,0,0,0,0|2,0,0]=4 4276 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|0,0,2]=4 4277 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|0,0,2]=4 4278 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,0,1]=3 4279 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 4280 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 4281 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|1,0,1]=4 4282 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|0,0,0]=2 4283 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|0,0,0]=2 4284 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|0,0,0]=2 4285 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 4286 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 4287 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 4288 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 4289 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,1,0,0,0,0|2,0,0]=4 4290 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 4291 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 4292 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 4293 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 4294 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 4295 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|1,0,0]=3 4296 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|0,0,0]=2 4297 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|0,0,0]=2 4298 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|0,0,0]=2 4299 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [1,1,0,0,0,0|2,0,0]=4 4300 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [1,1,0,0,0,0|2,0,0]=4 4301 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|1,0,0]=3 4302 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|2,0,0]=4 4303 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|2,0,0]=4 4304 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|2,0,0]=4 4305 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|2,0,0]=4 4306 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|2,0,0]=4 4307 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|1,0,0]=3 4308 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|2,0,0]=4 4309 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|2,0,0]=4 4310 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|0,0,0]=2 4311 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 4312 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 4313 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 4314 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 4315 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 4316 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 4317 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,1,0,0,0,0|2,0,0]=4 4318 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,1,0,0,0,0|2,0,0]=4 4319 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|0,0,1]=3 4320 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,1,0,0,0,0|1,0,1]=4 4321 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|1,0,1]=4 4322 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,1,0,0,0,0|1,0,1]=4 4323 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|1,0,1]=4 4324 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|0,0,2]=4 4325 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|0,0,2]=4 4326 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,1,0,0,0,0|0,0,2]=4 4327 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,1,0,0,0,0|0,0,2]=4 4328 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,1,0,0,0,0|0,0,2]=4 4329 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,1,0,0,0,0|0,0,2]=4 4330 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,1,0,0,0,0|0,0,2]=4 4331 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,1,0,0,0,0|0,0,2]=4 4332 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|0,0,2]=4 4333 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,2]=4 4334 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|0,0,1]=3 4335 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|1,0,1]=4 4336 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|1,0,1]=4 4337 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|1,0,1]=4 4338 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|1,0,1]=4 4339 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|1,0,1]=4 4340 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|1,0,1]=4 4341 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|0,0,2]=4 4342 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|0,0,2]=4 4343 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,1,0,0,0,0|0,0,2]=4 4344 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|0,0,2]=4 4345 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,1,0,0,0,0|0,0,2]=4 4346 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,1,0,0,0,0|0,0,2]=4 4347 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,1,0,0,0,0|0,0,2]=4 4348 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,1,0,0,0,0|0,0,2]=4 4349 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|0,0,2]=4 4350 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|0,0,2]=4 4351 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|0,0,2]=4 4352 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|0,0,2]=4 4353 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|0,0,2]=4 4354 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,2]=4 4355 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|0,0,2]=4 4356 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|0,0,2]=4 4357 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|0,0,2]=4 4358 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|0,0,2]=4 4359 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|0,0,2]=4 4360 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,1,0,0,0,0|0,0,2]=4 4361 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|1,0,1]=4 4362 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|1,0,1]=4 4363 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,0]=3 4364 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|1,0,0]=3 4365 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|1,0,0]=3 4366 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|1,0,0]=3 4367 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|1,0,0]=3 4368 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|1,0,0]=3 4369 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|2,0,0]=4 4370 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|2,0,0]=4 4371 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|2,0,0]=4 4372 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 4373 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 4374 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 4375 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 4376 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 4377 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 4378 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,2]=4 4379 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|0,0,2]=4 4380 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|0,0,2]=4 4381 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|0,0,2]=4 4382 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|0,0,2]=4 4383 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|0,0,0]=2 4384 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|0,0,0]=2 4385 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|0,0,0]=2 4386 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,0]=2 4387 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|0,0,0]=2 4388 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|0,0,0]=2 4389 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|0,0,0]=2 4390 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|0,0,0]=2 4391 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|1,0,1]=4 4392 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 4393 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|1,0,1]=4 4394 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|1,0,1]=4 4395 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 4396 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|1,0,1]=4 4397 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|0,0,2]=4 4398 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|0,0,2]=4 4399 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|0,0,2]=4 4400 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|0,0,2]=4 4401 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|0,0,2]=4 4402 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|0,1,1]=4 4403 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|0,1,1]=4 4404 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|0,1,1]=4 4405 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|0,1,1]=4 4406 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|2,0,0]=4 4407 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 4408 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 4409 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|2,0,0]=4 4410 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 4411 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 4412 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,1,0,0,0,0|2,0,0]=4 4413 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 4414 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 4415 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 4416 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 4417 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 4418 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 4419 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 4420 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 4421 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|1,0,0]=3 4422 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 4423 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 4424 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 4425 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 4426 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|1,0,0]=3 4427 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|1,0,0]=3 4428 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|1,0,0]=3 4429 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,0]=3 4430 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|2,0,0]=4 4431 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 4432 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 4433 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 4434 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 4435 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|1,0,0]=3 4436 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|1,0,0]=3 4437 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,0]=3 4438 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 4439 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 4440 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 4441 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 4442 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 4443 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 4444 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 4445 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|1,0,0]=3 4446 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|1,0,0]=3 4447 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|1,0,0]=3 4448 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|1,0,0]=3 4449 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,0,0]=3 4450 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 4451 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 4452 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 4453 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,0,0]=3 4454 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,0,0]=3 4455 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,0]=3 4456 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,0]=3 4457 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,1,0,0,0,0|1,0,1]=4 4458 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 4459 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 4460 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 4461 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|1,0,0]=3 4462 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|1,0,0]=3 4463 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|1,0,0]=3 4464 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 4465 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 4466 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|1,0,0]=3 4467 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|1,0,0]=3 4468 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 4469 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|1,0,0]=3 4470 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|1,0,0]=3 4471 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 4472 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 4473 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 4474 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|1,0,0]=3 4475 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|1,0,0]=3 4476 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|1,0,0]=3 4477 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|1,0,0]=3 4478 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 4479 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,1,0,0,0,0|2,0,0]=4 4480 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,1,0,0,0,0|2,0,0]=4 4481 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 4482 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 4483 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 4484 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 4485 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 4486 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 4487 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 4488 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 4489 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|1,0,0]=3 4490 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|1,0,0]=3 4491 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|1,0,0]=3 4492 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|1,0,0]=3 4493 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|1,0,0]=3 4494 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 4495 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 4496 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 4497 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,0]=3 4498 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,0]=3 4499 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,0]=3 4500 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,0]=3 4501 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|2,0,0]=4 4502 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|2,0,0]=4 4503 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|2,0,0]=4 4504 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|2,0,0]=4 4505 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|1,0,0]=3 4506 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,0]=3 4507 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,0]=3 4508 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|1,0,0]=3 4509 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 4510 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,1,0,0,0,0|1,0,1]=4 4511 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,1,0,0,0,0|1,0,1]=4 4512 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,0]=3 4513 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,0]=3 4514 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 4515 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 4516 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 4517 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 4518 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|1,0,1]=4 4519 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,1,0,0,0,0|2,0,0]=4 4520 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,1,0,0,0,0|0,0,2]=4 4521 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,1,0,0,0,0|0,0,2]=4 4522 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|1,0,1]=4 4523 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|1,0,1]=4 4524 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [1,1,0,0,0,0|1,0,1]=4 4525 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|1,0,0]=3 4526 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|1,0,0]=3 4527 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|1,0,0]=3 4528 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [1,1,0,0,0,0|2,0,0]=4 4529 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,1,0,0,0,0|2,0,0]=4 4530 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,1,0,0,0,0|2,0,0]=4 4531 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|2,0,0]=4 4532 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|2,0,0]=4 4533 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4534 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|0,0,2]=4 4535 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|0,0,2]=4 4536 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|0,0,0]=2 4537 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|0,0,0]=2 4538 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|0,0,0]=2 4539 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,1,0,0,0,0|2,0,0]=4 4540 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,1,0,0,0,0|2,0,0]=4 4541 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,1,0,0,0,0|2,0,0]=4 4542 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|1,0,0]=3 4543 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|1,0,0]=3 4544 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|1,0,0]=3 4545 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|1,0,0]=3 4546 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|0,0,0]=2 4547 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|0,0,0]=2 4548 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,1]=4 4549 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,1]=4 4550 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|1,0,0]=3 4551 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|2,0,0]=4 4552 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,1,0,0,0,0|2,0,0]=4 4553 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|2,0,0]=4 4554 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 4555 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 4556 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|1,0,0]=3 4557 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|1,0,0]=3 4558 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|2,0,0]=4 4559 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|1,0,0]=3 4560 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,1,0,0,0,0|2,0,0]=4 4561 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,1,0,0,0,0|2,0,0]=4 4562 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|2,0,0]=4 4563 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 4564 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 4565 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|1,0,0]=3 4566 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|1,0,0]=3 4567 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|1,0,0]=3 4568 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|2,0,0]=4 4569 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|2,0,0]=4 4570 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|1,0,0]=3 4571 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 4572 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 4573 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|2,0,0]=4 4574 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|2,0,0]=4 4575 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|1,0,1]=4 4576 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|2,0,0]=4 4577 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|2,0,0]=4 4578 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,0,1]=4 4579 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|1,0,0]=3 4580 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|1,0,0]=3 4581 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|1,0,0]=3 4582 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|1,0,0]=3 4583 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|1,0,0]=3 4584 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 4585 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|1,0,1]=4 4586 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|1,0,1]=4 4587 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|1,0,0]=3 4588 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|1,0,0]=3 4589 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|2,0,0]=4 4590 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 4591 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|0,0,1]=3 4592 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|0,0,1]=3 4593 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|0,0,1]=3 4594 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 4595 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 4596 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 4597 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 4598 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 4599 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|1,0,1]=4 4600 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 4601 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 4602 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,1,0,0,0,0|2,0,0]=4 4603 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,1,0,0,0,0|2,0,0]=4 4604 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,1,0,0,0,0|2,0,0]=4 4605 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,1,0,0,0,0|2,0,0]=4 4606 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|0,0,2]=4 4607 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|0,0,2]=4 4608 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|0,0,2]=4 4609 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|0,0,2]=4 4610 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 4611 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,0]=2 4612 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,0]=2 4613 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|0,0,0]=2 4614 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,0]=3 4615 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,1,0,0,0,0|2,0,0]=4 4616 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|1,0,0]=3 4617 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|1,0,1]=4 4618 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|1,0,1]=4 4619 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|1,0,0]=3 4620 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|1,0,0]=3 4621 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4622 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|1,0,1]=4 4623 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|1,0,0]=3 4624 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [1,1,0,0,0,0|2,0,0]=4 4625 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|1,0,1]=4 4626 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 4627 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 4628 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 4629 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|1,0,0]=3 4630 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 4631 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 4632 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,0]=3 4633 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 4634 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 4635 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 4636 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,1,0,0,0,0|2,0,0]=4 4637 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,1,0,0,0,0|2,0,0]=4 4638 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|1,0,1]=4 4639 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 4640 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|1,0,1]=4 4641 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|0,0,2]=4 4642 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,0]=2 4643 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4644 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 4645 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4646 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 4647 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4648 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4649 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 4650 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 4651 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 4652 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|2,0,0]=4 4653 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|2,0,0]=4 4654 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 4655 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|1,0,0]=3 4656 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|2,0,0]=4 4657 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 4658 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 4659 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|1,0,0]=3 4660 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|2,0,0]=4 4661 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|2,0,0]=4 4662 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,1,0,0,0,0|2,0,0]=4 4663 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,1,0,0,0,0|2,0,0]=4 4664 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 4665 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 4666 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 4667 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 4668 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|1,0,0]=3 4669 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 4670 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,1,0,0,0,0|2,0,0]=4 4671 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4672 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [1,1,0,0,0,0|2,0,0]=4 4673 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [1,1,0,0,0,0|2,0,0]=4 4674 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 4675 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [1,1,0,0,0,0|2,0,0]=4 4676 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [1,1,0,0,0,0|2,0,0]=4 4677 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [1,1,0,0,0,0|2,0,0]=4 4678 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [1,1,0,0,0,0|2,0,0]=4 4679 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [1,1,0,0,0,0|2,0,0]=4 4680 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [1,1,0,0,0,0|2,0,0]=4 4681 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [1,1,0,0,0,0|2,0,0]=4 4682 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 4683 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [1,1,0,0,0,0|2,0,0]=4 4684 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4685 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4686 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4687 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [1,1,0,0,0,0|2,0,0]=4 4688 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4689 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [1,1,0,0,0,0|2,0,0]=4 4690 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,1,0,0,0,0|0,0,2]=4 4691 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,1,0,0,0,0|0,0,2]=4 4692 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,1,0,0,0,0|0,0,2]=4 4693 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,1,0,0,0,0|0,0,2]=4 4694 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,1,0,0,0,0|0,0,2]=4 4695 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,1,0,0,0,0|0,0,2]=4 4696 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,1,0,0,0,0|0,0,2]=4 4697 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,1,0,0,0,0|0,0,2]=4 4698 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,1,0,0,0,0|0,0,2]=4 4699 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,1,0,0,0,0|0,0,2]=4 4700 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,1,0,0,0,0|0,0,2]=4 4701 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,1,0,0,0,0|0,0,2]=4 4702 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,1,0,0,0,0|0,0,2]=4 4703 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,1,0,0,0,0|0,0,2]=4 4704 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,1,0,0,0,0|0,0,2]=4 4705 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,1,0,0,0,0|0,0,2]=4 4706 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,1,0,0,0,0|0,0,2]=4 4707 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,1,0,0,0,0|0,0,2]=4 4708 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,1,0,0,0,0|0,0,2]=4 4709 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,1,0,0,0,0|0,0,2]=4 4710 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,1,0,0,0,0|0,0,2]=4 4711 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,1,0,0,0,0|0,0,2]=4 4712 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,1,0,0,0,0|0,0,2]=4 4713 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,1,0,0,0,0|0,0,2]=4 4714 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,1,0,0,0,0|0,0,2]=4 4715 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,1,0,0,0,0|0,0,2]=4 4716 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,1,0,0,0,0|0,0,2]=4 4717 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,1,0,0,0,0|0,0,2]=4 4718 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,1,0,0,0,0|0,0,2]=4 4719 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,1,0,0,0,0|0,0,2]=4 4720 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,1,0,0,0,0|0,0,2]=4 4721 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,1,0,0,0,0|0,0,2]=4 4722 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,1,0,0,0,0|0,0,2]=4 4723 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,1,0,0,0,0|0,0,2]=4 4724 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,1,0,0,0,0|0,0,2]=4 4725 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|0,0,2]=4 4726 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|0,0,2]=4 4727 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|0,0,2]=4 4728 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,1,0,0,0,0|0,0,2]=4 4729 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|0,0,1]=3 4730 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,1,0,0,0,0|1,0,1]=4 4731 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,1,0,0,0,0|1,0,1]=4 4732 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,1,0,0,0,0|1,0,1]=4 4733 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,1,0,0,0,0|0,0,2]=4 4734 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 4735 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|0,0,1]=3 4736 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|0,0,1]=3 4737 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,1,0,0,0,0|1,0,1]=4 4738 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,1,0,0,0,0|1,0,1]=4 4739 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|1,0,1]=4 4740 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|1,0,1]=4 4741 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,1,0,0,0,0|0,0,2]=4 4742 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,1,0,0,0,0|0,0,2]=4 4743 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|0,0,1]=3 4744 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|0,0,1]=3 4745 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,1,0,0,0,0|1,0,1]=4 4746 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,1,0,0,0,0|1,0,1]=4 4747 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 4748 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|1,0,1]=4 4749 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,1,0,0,0,0|1,0,1]=4 4750 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,1,0,0,0,0|1,0,1]=4 4751 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,1,0,0,0,0|1,0,1]=4 4752 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,1,0,0,0,0|1,0,1]=4 4753 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,1,0,0,0,0|0,0,1]=3 4754 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,1,0,0,0,0|0,0,1]=3 4755 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,1,0,0,0,0|0,0,1]=3 4756 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,1,0,0,0,0|0,0,1]=3 4757 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,1,0,0,0,0|0,0,1]=3 4758 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,1,0,0,0,0|0,0,1]=3 4759 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,1,0,0,0,0|0,0,1]=3 4760 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,1,0,0,0,0|0,0,1]=3 4761 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,1,0,0,0,0|0,0,1]=3 4762 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,1,0,0,0,0|0,0,1]=3 4763 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,1,0,0,0,0|0,0,1]=3 4764 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,1,0,0,0,0|0,0,1]=3 4765 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,1,0,0,0,0|0,0,1]=3 4766 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,1,0,0,0,0|0,0,1]=3 4767 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,1,0,0,0,0|0,0,1]=3 4768 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,1,0,0,0,0|0,0,1]=3 4769 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,1,0,0,0,0|0,0,1]=3 4770 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,1,0,0,0,0|0,0,1]=3 4771 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,1,0,0,0,0|0,0,1]=3 4772 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,1,0,0,0,0|1,0,1]=4 4773 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|0,0,1]=3 4774 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|0,0,1]=3 4775 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|0,0,1]=3 4776 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,1,0,0,0,0|1,0,1]=4 4777 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,1,0,0,0,0|1,0,1]=4 4778 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,1,0,0,0,0|0,0,1]=3 4779 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,1,0,0,0,0|0,0,1]=3 4780 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,1,0,0,0,0|1,0,1]=4 4781 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,1,0,0,0,0|1,0,1]=4 4782 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,1,0,0,0,0|0,0,2]=4 4783 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,1,0,0,0,0|0,0,1]=3 4784 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4785 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,1,0,0,0,0|1,0,1]=4 4786 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,1,0,0,0,0|1,0,1]=4 4787 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,1,0,0,0,0|1,0,1]=4 4788 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,1,0,0,0,0|1,0,1]=4 4789 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,1,0,0,0,0|1,0,1]=4 4790 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,1,0,0,0,0|1,0,1]=4 4791 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,1,0,0,0,0|0,0,2]=4 4792 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,1,0,0,0,0|1,0,1]=4 4793 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,1,0,0,0,0|0,0,1]=3 4794 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,1,0,0,0,0|0,0,1]=3 4795 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,1,0,0,0,0|1,0,1]=4 4796 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,1,0,0,0,0|1,0,1]=4 4797 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,1,0,0,0,0|1,0,1]=4 4798 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,1,0,0,0,0|1,0,1]=4 4799 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,1,0,0,0,0|0,0,2]=4 4800 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,1,0,0,0,0|0,0,2]=4 4801 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,1,0,0,0,0|0,0,1]=3 4802 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,1,0,0,0,0|0,0,1]=3 4803 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,1,0,0,0,0|1,0,1]=4 4804 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,1,0,0,0,0|1,0,1]=4 4805 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,1,0,0,0,0|1,0,1]=4 4806 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,1,0,0,0,0|1,0,1]=4 4807 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,1,0,0,0,0|1,0,1]=4 4808 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,1,0,0,0,0|1,0,1]=4 4809 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,1,0,0,0,0|1,0,1]=4 4810 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,1,0,0,0,0|1,0,1]=4 4811 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,1,0,0,0,0|0,0,1]=3 4812 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,1,0,0,0,0|0,0,1]=3 4813 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,1,0,0,0,0|0,0,1]=3 4814 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,1,0,0,0,0|1,0,1]=4 4815 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,1,0,0,0,0|1,0,1]=4 4816 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,1,0,0,0,0|1,0,1]=4 4817 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,1,0,0,0,0|1,0,1]=4 4818 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,1,0,0,0,0|1,0,1]=4 4819 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,1,0,0,0,0|1,0,1]=4 4820 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,1,0,0,0,0|1,0,1]=4 4821 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,1,0,0,0,0|1,0,1]=4 4822 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,1,0,0,0,0|1,0,1]=4 4823 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|0,0,1]=3 4824 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|0,0,1]=3 4825 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|0,0,1]=3 4826 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,1,0,0,0,0|1,0,1]=4 4827 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,1,0,0,0,0|1,0,1]=4 4828 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,1,0,0,0,0|1,0,1]=4 4829 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,1,0,0,0,0|1,0,1]=4 4830 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,1,0,0,0,0|1,0,1]=4 4831 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,1,0,0,0,0|1,0,1]=4 4832 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,1,0,0,0,0|1,0,1]=4 4833 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,1,0,0,0,0|1,0,1]=4 4834 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,1,0,0,0,0|1,0,1]=4 4835 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,1,0,0,0,0|1,0,1]=4 4836 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,1,0,0,0,0|1,0,1]=4 4837 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,1,0,0,0,0|1,0,1]=4 4838 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,1,0,0,0,0|1,0,1]=4 4839 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,1,0,0,0,0|1,0,1]=4 4840 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,1,0,0,0,0|0,0,1]=3 4841 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,1,0,0,0,0|0,0,1]=3 4842 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,1,0,0,0,0|1,0,1]=4 4843 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,1,0,0,0,0|1,0,1]=4 4844 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,1,0,0,0,0|1,0,1]=4 4845 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,1,0,0,0,0|1,0,1]=4 4846 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,1,0,0,0,0|1,0,1]=4 4847 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,1,0,0,0,0|1,0,1]=4 4848 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,1,0,0,0,0|1,0,1]=4 4849 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,1,0,0,0,0|1,0,1]=4 4850 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,1,0,0,0,0|1,0,1]=4 4851 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,1,0,0,0,0|1,0,1]=4 4852 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,1,0,0,0,0|1,0,1]=4 4853 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,1,0,0,0,0|1,0,1]=4 4854 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,1,0,0,0,0|1,0,1]=4 4855 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,1,0,0,0,0|1,0,1]=4 4856 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,1,0,0,0,0|1,0,1]=4 4857 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,1,0,0,0,0|1,0,1]=4 4858 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,1,0,0,0,0|1,0,1]=4 4859 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,1,0,0,0,0|1,0,1]=4 4860 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,1,0,0,0,0|1,0,1]=4 4861 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,1,0,0,0,0|0,0,2]=4 4862 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [1,1,0,0,0,0|0,0,2]=4 4863 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [1,1,0,0,0,0|0,0,2]=4 4864 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,1,0,0,0,0|0,0,2]=4 4865 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,1,0,0,0,0|0,0,2]=4 4866 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,1,0,0,0,0|0,0,2]=4 4867 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,1,0,0,0,0|0,0,2]=4 4868 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,1,0,0,0,0|0,0,2]=4 4869 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [1,1,0,0,0,0|0,0,2]=4 4870 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [1,1,0,0,0,0|0,0,2]=4 4871 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,1,0,0,0,0|0,0,2]=4 4872 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,1,0,0,0,0|0,0,2]=4 4873 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 4874 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|1,0,1]=4 4875 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 4876 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,0,1]=4 4877 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,0,1]=4 4878 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,0,1]=4 4879 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,0,1]=4 4880 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,0,1]=4 4881 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,1]=4 4882 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,1]=4 4883 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,1]=4 4884 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,1]=4 4885 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|1,0,1]=4 4886 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,1]=4 4887 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,1]=4 4888 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,1]=4 4889 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,1]=4 4890 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|0,0,2]=4 4891 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|0,0,2]=4 4892 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|0,0,1]=3 4893 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|0,0,1]=3 4894 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,1,0,0,0,0|1,0,1]=4 4895 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,1,0,0,0,0|1,0,1]=4 4896 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,1,0,0,0,0|1,0,1]=4 4897 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 4898 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|0,0,1]=3 4899 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,1,0,0,0,0|1,0,1]=4 4900 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,1,0,0,0,0|0,0,2]=4 4901 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,1,0,0,0,0|0,0,2]=4 4902 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|0,0,1]=3 4903 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|0,0,1]=3 4904 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,1,0,0,0,0|1,0,1]=4 4905 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,1,0,0,0,0|1,0,1]=4 4906 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|1,0,1]=4 4907 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 4908 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,1,0,0,0,0|1,0,1]=4 4909 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,1,0,0,0,0|1,0,1]=4 4910 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,1,0,0,0,0|1,0,1]=4 4911 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,1,0,0,0,0|1,0,1]=4 4912 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,1,0,0,0,0|1,0,0]=3 4913 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,1,0,0,0,0|1,0,1]=4 4914 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,1,0,0,0,0|1,0,1]=4 4915 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,1,0,0,0,0|1,0,1]=4 4916 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,1,0,0,0,0|1,0,1]=4 4917 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|1,0,1]=4 4918 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|1,0,1]=4 4919 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|1,0,1]=4 4920 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|1,0,1]=4 4921 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,1,0,0,0,0|2,0,0]=4 4922 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,1,0,0,0,0|1,0,1]=4 4923 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,1,0,0,0,0|1,0,1]=4 4924 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,1,0,0,0,0|1,0,1]=4 4925 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,1,0,0,0,0|1,0,1]=4 4926 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,1,0,0,0,0|0,0,1]=3 4927 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,1,0,0,0,0|0,0,1]=3 4928 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,1,0,0,0,0|0,0,1]=3 4929 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,1,0,0,0,0|0,0,1]=3 4930 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,1,0,0,0,0|0,0,1]=3 4931 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|0,0,1]=3 4932 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|0,0,1]=3 4933 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|0,0,1]=3 4934 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|0,0,1]=3 4935 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|0,0,1]=3 4936 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|0,0,1]=3 4937 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|0,0,1]=3 4938 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|0,0,1]=3 4939 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|0,0,1]=3 4940 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,1,0,0,0,0|0,0,1]=3 4941 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,1,0,0,0,0|0,0,1]=3 4942 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 4943 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|0,0,1]=3 4944 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|0,0,1]=3 4945 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|1,0,0]=3 4946 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|1,0,0]=3 4947 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|0,0,1]=3 4948 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|0,0,1]=3 4949 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,1,0,0,0,0|1,0,0]=3 4950 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,1,0,0,0,0|1,0,0]=3 4951 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,1,0,0,0,0|1,0,1]=4 4952 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,1,0,0,0,0|1,0,1]=4 4953 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|0,0,0]=2 4954 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|0,0,0]=2 4955 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,1,0,0,0,0|0,0,1]=3 4956 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,1,0,0,0,0|0,0,1]=3 4957 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,1,0,0,0,0|1,0,1]=4 4958 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,1,0,0,0,0|1,0,1]=4 4959 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,1,0,0,0,0|1,0,1]=4 4960 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|0,0,2]=4 4961 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|0,0,2]=4 4962 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|0,0,2]=4 4963 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|0,0,2]=4 4964 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|1,0,0]=3 4965 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|1,0,0]=3 4966 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|1,0,1]=4 4967 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|0,0,0]=2 4968 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|0,0,0]=2 4969 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,1]=4 4970 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|0,0,1]=3 4971 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|0,0,1]=3 4972 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|0,0,1]=3 4973 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 4974 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 4975 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,1]=4 4976 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|0,0,2]=4 4977 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|0,0,2]=4 4978 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,0]=3 4979 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,0]=3 4980 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,0]=3 4981 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,0,0]=3 4982 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,0,0]=3 4983 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,0,0]=3 4984 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,0,0]=3 4985 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,0,0]=3 4986 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,1,0,0,0,0|1,0,1]=4 4987 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,1,0,0,0,0|1,0,1]=4 4988 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|0,0,0]=2 4989 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|0,0,0]=2 4990 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,1,0,0,0,0|0,0,1]=3 4991 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,1,0,0,0,0|0,0,1]=3 4992 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,1,0,0,0,0|1,0,1]=4 4993 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,1,0,0,0,0|1,0,1]=4 4994 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|0,0,2]=4 4995 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|0,0,2]=4 4996 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|1,0,0]=3 4997 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|1,0,0]=3 4998 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|1,0,0]=3 4999 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|1,0,0]=3 5000 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,1,0,0,0,0|1,0,1]=4 5001 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,1,0,0,0,0|1,0,1]=4 5002 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,1,0,0,0,0|1,0,0]=3 5003 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|1,0,0]=3 5004 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,1,0,0,0,0|1,0,1]=4 5005 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,1,0,0,0,0|1,0,1]=4 5006 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,1,0,0,0,0|1,0,1]=4 5007 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,1,0,0,0,0|1,0,1]=4 5008 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|1,0,1]=4 5009 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|0,0,2]=4 5010 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|1,0,0]=3 5011 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|1,0,0]=3 5012 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|1,0,0]=3 5013 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|1,0,0]=3 5014 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|1,0,0]=3 5015 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|1,0,0]=3 5016 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|1,0,0]=3 5017 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|1,0,0]=3 5018 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|1,0,0]=3 5019 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|1,0,0]=3 5020 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|1,0,0]=3 5021 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|1,0,0]=3 5022 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,1,0,0,0,0|2,0,0]=4 5023 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|1,0,0]=3 5024 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|1,0,0]=3 5025 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|1,0,0]=3 5026 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|1,0,0]=3 5027 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|1,0,0]=3 5028 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|1,0,0]=3 5029 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|1,0,0]=3 5030 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|1,0,0]=3 5031 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|1,0,0]=3 5032 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,1,0,0,0,0|1,0,1]=4 5033 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,1,0,0,0,0|1,0,1]=4 5034 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,1,0,0,0,0|1,0,1]=4 5035 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,1,0,0,0,0|1,0,1]=4 5036 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,1,0,0,0,0|0,0,2]=4 5037 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,1,0,0,0,0|0,0,2]=4 5038 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,1,0,0,0,0|1,0,0]=3 5039 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,1,0,0,0,0|1,0,0]=3 5040 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,1,0,0,0,0|1,0,0]=3 5041 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,1,0,0,0,0|1,0,0]=3 5042 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,1,0,0,0,0|1,0,0]=3 5043 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,1,0,0,0,0|1,0,0]=3 5044 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,1,0,0,0,0|1,0,0]=3 5045 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,1,0,0,0,0|1,0,0]=3 5046 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|1,0,0]=3 5047 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|1,0,0]=3 5048 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,0,1]=4 5049 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,0,1]=4 5050 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,1,0,0,0,0|1,0,1]=4 5051 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|0,0,0]=2 5052 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,1,0,0,0,0|1,0,1]=4 5053 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|0,0,2]=4 5054 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|0,0,2]=4 5055 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|0,0,2]=4 5056 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|1,0,0]=3 5057 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|1,0,0]=3 5058 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,0,0]=3 5059 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,1]=4 5060 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 5061 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 5062 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|1,0,1]=4 5063 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|1,0,1]=4 5064 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,1]=4 5065 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 5066 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 5067 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 5068 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,1]=4 5069 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 5070 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,1]=4 5071 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 5072 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|0,0,2]=4 5073 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,0]=3 5074 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,0]=3 5075 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,0]=3 5076 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,0]=3 5077 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,0]=3 5078 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,0]=3 5079 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,0]=3 5080 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,0]=3 5081 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|1,0,0]=3 5082 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 5083 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|1,0,0]=3 5084 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|1,0,0]=3 5085 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 5086 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 5087 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 5088 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|1,0,0]=3 5089 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|1,0,0]=3 5090 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|1,0,0]=3 5091 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|1,0,0]=3 5092 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|1,0,0]=3 5093 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|1,0,0]=3 5094 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|2,0,0]=4 5095 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 5096 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|1,0,1]=4 5097 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 5098 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 5099 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 5100 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 5101 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|1,0,1]=4 5102 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|1,0,1]=4 5103 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|1,0,1]=4 5104 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 5105 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|2,0,0]=4 5106 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|2,0,0]=4 5107 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,1,0,0,0,0|1,0,0]=3 5108 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,1,0,0,0,0|1,0,0]=3 5109 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|2,0,0]=4 5110 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|2,0,0]=4 5111 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|2,0,0]=4 5112 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|2,0,0]=4 5113 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,1,0,0,0,0|1,0,1]=4 5114 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,1,0,0,0,0|1,0,1]=4 5115 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|0,0,0]=2 5116 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|0,0,0]=2 5117 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,1,0,0,0,0|1,0,1]=4 5118 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,1,0,0,0,0|1,0,1]=4 5119 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|0,0,2]=4 5120 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|0,0,2]=4 5121 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|1,0,0]=3 5122 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|1,0,0]=3 5123 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|1,0,0]=3 5124 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|1,0,0]=3 5125 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|1,0,0]=3 5126 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|1,0,0]=3 5127 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5128 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5129 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|1,0,1]=4 5130 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|1,0,1]=4 5131 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,1,0,0,0,0|2,0,0]=4 5132 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,1,0,0,0,0|2,0,0]=4 5133 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,1,0,0,0,0|1,0,1]=4 5134 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,1,0,0,0,0|1,0,1]=4 5135 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,1,0,0,0,0|0,0,0]=2 5136 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,1,0,0,0,0|0,0,0]=2 5137 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,1,0,0,0,0|1,0,0]=3 5138 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,1,0,0,0,0|1,0,0]=3 5139 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,1,0,0,0,0|1,0,0]=3 5140 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,1,0,0,0,0|1,0,0]=3 5141 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,1,0,0,0,0|1,0,0]=3 5142 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,0]=3 5143 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,1,0,0,0,0|1,0,0]=3 5144 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,1,0,0,0,0|1,0,0]=3 5145 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,1,0,0,0,0|1,0,0]=3 5146 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,1,0,0,0,0|1,0,0]=3 5147 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,1,0,0,0,0|1,0,0]=3 5148 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 5149 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5150 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 5151 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5152 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|2,0,0]=4 5153 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 5154 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,1,0,0,0,0|2,0,0]=4 5155 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|2,0,0]=4 5156 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,1,0,0,0,0|1,0,0]=3 5157 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,1,0,0,0,0|1,0,0]=3 5158 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,1,0,0,0,0|1,0,0]=3 5159 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,1,0,0,0,0|1,0,0]=3 5160 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,1,0,0,0,0|1,0,0]=3 5161 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,1,0,0,0,0|1,0,0]=3 5162 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,1,0,0,0,0|1,0,0]=3 5163 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,0]=3 5164 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,1,0,0,0,0|1,0,0]=3 5165 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,1,0,0,0,0|1,0,0]=3 5166 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,1,0,0,0,0|1,0,0]=3 5167 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,1,0,0,0,0|1,0,0]=3 5168 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|1,0,0]=3 5169 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|1,0,0]=3 5170 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|1,0,0]=3 5171 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|1,0,0]=3 5172 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|1,0,0]=3 5173 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|1,0,0]=3 5174 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,1,0,0,0,0|2,0,0]=4 5175 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|2,0,0]=4 5176 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,1,0,0,0,0|2,0,0]=4 5177 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,1,0,0,0,0|2,0,0]=4 5178 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,1,0,0,0,0|1,0,0]=3 5179 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,1,0,0,0,0|2,0,0]=4 5180 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,1,0,0,0,0|2,0,0]=4 5181 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,1,0,0,0,0|2,0,0]=4 5182 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,1,0,0,0,0|2,0,0]=4 5183 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,1,0,0,0,0|2,0,0]=4 5184 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,1,0,0,0,0|2,0,0]=4 5185 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,1,0,0,0,0|2,0,0]=4 5186 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,1,0,0,0,0|1,0,0]=3 5187 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|2,0,0]=4 5188 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 5189 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 5190 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5191 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5192 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|2,0,0]=4 5193 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 5194 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 5195 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 5196 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 5197 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|2,0,0]=4 5198 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5199 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|2,0,0]=4 5200 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|2,0,0]=4 5201 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|2,0,0]=4 5202 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|2,0,0]=4 5203 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|2,0,0]=4 5204 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|2,0,0]=4 5205 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|2,0,0]=4 5206 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,1,0,0,0,0|1,0,0]=3 5207 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,1,0,0,0,0|1,0,0]=3 5208 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,1,0,0,0,0|2,0,0]=4 5209 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,1,0,0,0,0|2,0,0]=4 5210 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,1,0,0,0,0|2,0,0]=4 5211 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,1,0,0,0,0|2,0,0]=4 5212 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,1,0,0,0,0|2,0,0]=4 5213 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,1,0,0,0,0|2,0,0]=4 5214 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,1,0,0,0,0|2,0,0]=4 5215 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,1,0,0,0,0|2,0,0]=4 5216 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,1,0,0,0,0|2,0,0]=4 5217 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,1,0,0,0,0|2,0,0]=4 5218 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,1,0,0,0,0|2,0,0]=4 5219 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,1,0,0,0,0|2,0,0]=4 5220 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,1,0,0,0,0|2,0,0]=4 5221 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,1,0,0,0,0|2,0,0]=4 5222 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,1,0,0,0,0|2,0,0]=4 5223 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,1,0,0,0,0|2,0,0]=4 5224 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,1,0,0,0,0|1,0,1]=4 5225 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,1,0,0,0,0|1,0,1]=4 5226 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,1,0,0,0,0|0,0,0]=2 5227 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,1,0,0,0,0|0,0,0]=2 5228 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,1,0,0,0,0|1,0,0]=3 5229 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,1,0,0,0,0|1,0,0]=3 5230 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|1,0,0]=3 5231 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|1,0,0]=3 5232 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|1,0,0]=3 5233 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|1,0,0]=3 5234 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 5235 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 5236 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,1,0,0,0,0|1,0,0]=3 5237 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,1,0,0,0,0|2,0,0]=4 5238 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,1,0,0,0,0|2,0,0]=4 5239 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,1,0,0,0,0|2,0,0]=4 5240 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,1,0,0,0,0|2,0,0]=4 5241 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,1,0,0,0,0|2,0,0]=4 5242 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,1,0,0,0,0|2,0,0]=4 5243 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|1,0,0]=3 5244 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|1,0,0]=3 5245 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|2,0,0]=4 5246 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 5247 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 5248 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|2,0,0]=4 5249 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 5250 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5251 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|2,0,0]=4 5252 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 5253 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,1,0,0,0,0|2,0,0]=4 5254 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,1,0,0,0,0|1,0,0]=3 5255 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,1,0,0,0,0|1,0,0]=3 5256 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,1,0,0,0,0|2,0,0]=4 5257 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,1,0,0,0,0|2,0,0]=4 5258 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,1,0,0,0,0|2,0,0]=4 5259 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,1,0,0,0,0|2,0,0]=4 5260 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,1,0,0,0,0|2,0,0]=4 5261 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,1,0,0,0,0|2,0,0]=4 5262 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 5263 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 5264 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|2,0,0]=4 5265 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|2,0,0]=4 5266 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|2,0,0]=4 5267 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|2,0,0]=4 5268 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,1,0,0,0,0|2,0,0]=4 5269 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,1,0,0,0,0|2,0,0]=4 5270 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,1,0,0,0,0|2,0,0]=4 5271 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,1,0,0,0,0|2,0,0]=4 5272 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 5273 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 5274 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,1,0,0,0,0|2,0,0]=4 5275 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,1,0,0,0,0|2,0,0]=4 5276 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|2,0,0]=4 5277 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5278 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5279 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|2,0,0]=4 5280 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,1,0,0,0,0|1,0,1]=4 5281 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,1,0,0,0,0|1,0,1]=4 5282 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 5283 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,1,0,0,0,0|1,0,0]=3 5284 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,1,0,0,0,0|2,0,0]=4 5285 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,1,0,0,0,0|1,0,0]=3 5286 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,1,0,0,0,0|1,0,0]=3 5287 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,1,0,0,0,0|1,0,0]=3 5288 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,1,0,0,0,0|1,0,0]=3 5289 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,1,0,0,0,0|1,0,0]=3 5290 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,1,0,0,0,0|1,0,0]=3 5291 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,1,0,0,0,0|1,0,0]=3 5292 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,1,0,0,0,0|1,0,0]=3 5293 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,1,0,0,0,0|1,0,0]=3 5294 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,1,0,0,0,0|1,0,0]=3 5295 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,1,0,0,0,0|1,0,0]=3 5296 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 5297 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 5298 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,1,0,0,0,0|2,0,0]=4 5299 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,1,0,0,0,0|1,0,0]=3 5300 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,0]=3 5301 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5302 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5303 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,1,0,0,0,0|2,0,0]=4 5304 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,1,0,0,0,0|1,0,0]=3 5305 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,1,0,0,0,0|1,0,0]=3 5306 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,1,0,0,0,0|1,0,0]=3 5307 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,1,0,0,0,0|1,0,0]=3 5308 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,1,0,0,0,0|1,0,0]=3 5309 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,1,0,0,0,0|1,0,0]=3 5310 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,0]=3 5311 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 5312 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 5313 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5314 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5315 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 5316 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 5317 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 5318 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 5319 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5320 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,1,0,0,0,0|1,0,1]=4 5321 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,1,0,0,0,0|1,0,1]=4 5322 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,1,0,0,0,0|0,0,0]=2 5323 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,1,0,0,0,0|0,0,0]=2 5324 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,1,0,0,0,0|1,0,0]=3 5325 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,1,0,0,0,0|1,0,0]=3 5326 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|1,0,0]=3 5327 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|1,0,0]=3 5328 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5329 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|2,0,0]=4 5330 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|1,0,1]=4 5331 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|0,0,2]=4 5332 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|0,0,2]=4 5333 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|1,0,1]=4 5334 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|1,0,1]=4 5335 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|1,0,1]=4 5336 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|1,0,1]=4 5337 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|1,0,1]=4 5338 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|1,0,1]=4 5339 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|1,0,1]=4 5340 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|1,0,1]=4 5341 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|1,0,1]=4 5342 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|1,0,1]=4 5343 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|1,0,1]=4 5344 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|1,0,1]=4 5345 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 5346 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,2]=4 5347 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|0,0,2]=4 5348 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,1]=4 5349 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,1]=4 5350 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|1,0,1]=4 5351 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|1,0,1]=4 5352 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|1,0,1]=4 5353 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|1,0,1]=4 5354 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|1,0,1]=4 5355 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|1,0,1]=4 5356 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|1,0,0]=3 5357 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|1,0,0]=3 5358 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|1,0,0]=3 5359 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|1,0,0]=3 5360 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,0]=3 5361 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,0]=3 5362 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,0]=3 5363 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,0]=3 5364 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,0]=3 5365 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|1,0,0]=3 5366 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|1,0,0]=3 5367 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|1,0,0]=3 5368 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|1,0,0]=3 5369 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|1,0,1]=4 5370 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|1,0,1]=4 5371 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|1,0,1]=4 5372 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 5373 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 5374 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 5375 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,1]=4 5376 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,1]=4 5377 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|1,0,0]=3 5378 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|1,0,0]=3 5379 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,1,0,0,0,0|1,0,1]=4 5380 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,1,0,0,0,0|1,0,1]=4 5381 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,1,0,0,0,0|1,0,1]=4 5382 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,1,0,0,0,0|1,0,1]=4 5383 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 5384 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 5385 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,1,0,0,0,0|2,0,0]=4 5386 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,1,0,0,0,0|2,0,0]=4 5387 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,1,0,0,0,0|1,0,1]=4 5388 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,1,0,0,0,0|1,0,1]=4 5389 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,0]=3 5390 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,0]=3 5391 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [1,1,0,0,0,0|2,0,0]=4 5392 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [1,1,0,0,0,0|2,0,0]=4 5393 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [1,1,0,0,0,0|2,0,0]=4 5394 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [1,1,0,0,0,0|2,0,0]=4 5395 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,1,0,0,0,0|2,0,0]=4 5396 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,1,0,0,0,0|2,0,0]=4 5397 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,1,0,0,0,0|2,0,0]=4 5398 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,1,0,0,0,0|2,0,0]=4 5399 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|2,0,0]=4 5400 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|2,0,0]=4 5401 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 5402 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 5403 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [1,1,0,0,0,0|2,0,0]=4 5404 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [1,1,0,0,0,0|2,0,0]=4 5405 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 5406 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 5407 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 5408 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 5409 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 5410 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [1,1,0,0,0,0|2,0,0]=4 5411 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,1,0,0,0,0|2,0,0]=4 5412 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,1,0,0,0,0|2,0,0]=4 5413 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,1,0,0,0,0|2,0,0]=4 5414 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,1,0,0,0,0|2,0,0]=4 5415 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|1,0,0]=3 5416 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|1,0,1]=4 5417 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,1]=4 5418 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|1,0,1]=4 5419 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,2,0,0,0,0|1,0,1]=4 5420 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,2,0,0,0,0|1,0,0]=3 5421 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,2,0,0,0,0|1,0,0]=3 5422 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,2,0,0,0,0|1,0,0]=3 5423 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,2,0,0,0,0|1,0,0]=3 5424 B9R0.4 C=C(C)CN(C)CCCF 2230a_100000225649_100011934791 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.4 C=C(C)CN(C)CCCF 269982a_100000225649_100011934791 [0,2,0,0,0,0|2,0,0]=4 5426 B9R0.4 C=C(C)CN(C)CCCO 2230a_100000213112_100000748629 [0,2,0,0,0,0|2,0,0]=4 5427 B9R0.4 C=C(C)CN(C)CCCO 2230a_100000225649_100000230001 [0,2,0,0,0,0|2,0,0]=4 5428 B9R0.4 C=C(C)CN(C)CCCO 269982a_100000213112_100000748629 [0,2,0,0,0,0|2,0,0]=4 5429 B9R0.4 C=C(C)CN(C)CCCO 269982a_100000225649_100011215043 [0,2,0,0,0,0|2,0,0]=4 5430 B9R0.4 C=C(C)CN(C)CCOC 2230a_100000225649_100011201679 [0,2,0,0,0,0|2,0,0]=4 5431 B9R0.4 C=C(C)CN(C)CCOC 2230a_100000743101_100000748629 [0,2,0,0,0,0|2,0,0]=4 5432 B9R0.4 C=C(C)CN(C)CCOC 269982a_100000225649_100000233755 [0,2,0,0,0,0|2,0,0]=4 5433 B9R0.4 C=C(C)CN(C)CCOC 269982a_100000743101_100000748629 [0,2,0,0,0,0|2,0,0]=4 5434 B9R0.4 C=C(C)CN(C)CCSC 2230a_100000225649_100000751147 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.4 C=C(C)CN(C)CCSC 2230a_100000686725_100000748629 [0,2,0,0,0,0|2,0,0]=4 5436 B9R0.4 C=C(C)CN(C)CCSC 269982a_100000225649_100000212216 [0,2,0,0,0,0|2,0,0]=4 5437 B9R0.4 C=C(C)CN(C)CCSC 269982a_100000686725_100000748629 [0,2,0,0,0,0|2,0,0]=4 5438 B9R0.4 C=C(C)CN(C)COCC 269982a_100000225649_100000739092 [0,2,0,0,0,0|2,0,0]=4 5439 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,2,0,0,0,0|1,0,1]=4 5440 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,2,0,0,0,0|1,0,1]=4 5441 B9R0.4 C=C(F)CN(C)CCCC 2230a_100000207549_100009893438 [0,2,0,0,0,0|1,0,1]=4 5442 B9R0.4 C=C(F)CN(C)CCCC 269982a_100000207549_100009893438 [0,2,0,0,0,0|1,0,1]=4 5443 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,2,0,0,0,0|2,0,0]=4 5444 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,2,0,0,0,0|2,0,0]=4 5445 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,2,0,0,0,0|2,0,0]=4 5446 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,2,0,0,0,0|2,0,0]=4 5447 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [0,2,0,0,0,0|1,0,1]=4 5448 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|1,0,1]=4 5449 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|1,0,1]=4 5450 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|1,0,1]=4 5451 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,2,0,0,0,0|1,0,0]=3 5452 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,2,0,0,0,0|1,0,0]=3 5453 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,2,0,0,0,0|1,0,0]=3 5454 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|1,0,1]=4 5455 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|1,0,1]=4 5456 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|0,0,2]=4 5457 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|2,0,0]=4 5458 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|0,0,2]=4 5459 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,2,0,0,0,0|2,0,0]=4 5460 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,2,0,0,0,0|2,0,0]=4 5461 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,2,0,0,0,0|0,0,0]=2 5462 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,2,0,0,0,0|0,0,0]=2 5463 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,2,0,0,0,0|0,0,0]=2 5464 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,2,0,0,0,0|0,0,0]=2 5465 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,2,0,0,0,0|1,0,1]=4 5466 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,2,0,0,0,0|1,0,1]=4 5467 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,2,0,0,0,0|1,0,1]=4 5468 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,2,0,0,0,0|1,0,1]=4 5469 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 5470 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,2,0,0,0,0|1,0,1]=4 5471 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,2,0,0,0,0|1,0,1]=4 5472 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,2,0,0,0,0|1,0,1]=4 5473 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,2,0,0,0,0|1,0,0]=3 5474 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,2,0,0,0,0|1,0,0]=3 5475 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,2,0,0,0,0|1,0,0]=3 5476 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,2,0,0,0,0|1,0,0]=3 5477 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,2,0,0,0,0|1,0,0]=3 5478 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,2,0,0,0,0|1,0,1]=4 5479 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,2,0,0,0,0|1,0,1]=4 5480 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,2,0,0,0,0|1,0,1]=4 5481 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,2,0,0,0,0|1,0,1]=4 5482 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,2,0,0,0,0|1,0,1]=4 5483 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,2,0,0,0,0|0,0,2]=4 5484 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,2,0,0,0,0|0,0,2]=4 5485 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,2,0,0,0,0|0,0,2]=4 5486 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,2,0,0,0,0|0,0,2]=4 5487 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,2,0,0,0,0|0,0,2]=4 5488 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,2,0,0,0,0|0,0,2]=4 5489 B9R0.4 CCCCN(C)C[N+](=O)[O-] 269982a_100000207549_100000761209 [0,2,0,0,0,0|2,0,0]=4 5490 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|0,0,1]=3 5491 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,2,0,0,0,0|1,0,1]=4 5492 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,2,0,0,0,0|1,0,1]=4 5493 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,2,0,0,0,0|1,0,1]=4 5494 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|0,0,1]=3 5495 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,2,0,0,0,0|1,0,1]=4 5496 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,2,0,0,0,0|1,0,1]=4 5497 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,2,0,0,0,0|1,0,1]=4 5498 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,2,0,0,0,0|1,0,1]=4 5499 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,2,0,0,0,0|1,0,1]=4 5500 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,2,0,0,0,0|1,0,1]=4 5501 B9R0.4 CCCSC(C)CN(C)C 62a_100000210303_100020606517 [0,2,0,0,0,0|2,0,0]=4 5502 B9R0.4 CCCSC(C)CN(C)C 62a_100020606517_100000210303 [0,2,0,0,0,0|2,0,0]=4 5503 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,2,0,0,0,0|1,0,0]=3 5504 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,2,0,0,0,0|1,0,0]=3 5505 B9R0.4 CCNCC(C)CN(C)C 2230a_100015525214_100015348159 [0,2,0,0,0,0|2,0,0]=4 5506 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,2,0,0,0,0|1,0,0]=3 5507 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|1,0,1]=4 5508 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|1,0,1]=4 5509 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,2,0,0,0,0|2,0,0]=4 5510 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,2,0,0,0,0|1,0,1]=4 5511 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,2,0,0,0,0|1,0,1]=4 5512 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,2,0,0,0,0|1,0,1]=4 5513 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|1,0,1]=4 5514 B9R0.4 CCSCC(C)CN(C)C 62a_100000210202_100015348159 [0,2,0,0,0,0|2,0,0]=4 5515 B9R0.4 CCSCC(C)CN(C)C 62a_100015348159_100000210202 [0,2,0,0,0,0|2,0,0]=4 5516 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,2,0,0,0,0|2,0,0]=4 5517 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,2,0,0,0,0|2,0,0]=4 5518 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,2,0,0,0,0|2,0,0]=4 5519 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,2,0,0,0,0|2,0,0]=4 5520 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,2,0,0,0,0|2,0,0]=4 5521 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,2,0,0,0,0|2,0,0]=4 5522 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,2,0,0,0,0|2,0,0]=4 5523 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,2,0,0,0,0|1,0,1]=4 5524 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,2,0,0,0,0|1,0,1]=4 5525 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,2,0,0,0,0|1,0,1]=4 5526 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,2,0,0,0,0|2,0,0]=4 5527 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,2,0,0,0,0|2,0,0]=4 5528 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,2,0,0,0,0|2,0,0]=4 5529 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,2,0,0,0,0|2,0,0]=4 5530 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,2,0,0,0,0|2,0,0]=4 5531 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [0,2,0,0,0,0|1,0,1]=4 5532 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,2,0,0,0,0|2,0,0]=4 5533 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,2,0,0,0,0|2,0,0]=4 5534 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,2,0,0,0,0|1,0,1]=4 5535 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,2,0,0,0,0|1,0,1]=4 5536 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,2,0,0,0,0|1,0,1]=4 5537 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,2,0,0,0,0|2,0,0]=4 5538 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,2,0,0,0,0|2,0,0]=4 5539 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,2,0,0,0,0|2,0,0]=4 5540 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,2,0,0,0,0|2,0,0]=4 5541 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,2,0,0,0,0|2,0,0]=4 5544 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,2,0,0,0,0|1,0,1]=4 5545 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,2,0,0,0,0|1,0,1]=4 5546 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,2,0,0,0,0|2,0,0]=4 5547 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,2,0,0,0,0|1,0,1]=4 5548 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,2,0,0,0,0|1,0,1]=4 5549 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 5550 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 5551 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,2,0,0,0,0|2,0,0]=4 5552 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,2,0,0,0,0|2,0,0]=4 5553 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,2,0,0,0,0|0,0,1]=3 5554 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,2,0,0,0,0|1,0,1]=4 5555 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,2,0,0,0,0|1,0,1]=4 5556 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,2,0,0,0,0|1,0,1]=4 5557 B9R0.6 CCCC(C)C(C)N(C)C 270004a_100102631434_100011216282 [0,2,0,0,0,0|2,0,0]=4 5558 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,2,0,0,0,0|1,0,0]=3 5559 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,2,0,0,0,0|1,0,0]=3 5560 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,2,0,0,0,0|2,0,0]=4 5561 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,2,0,0,0,0|2,0,0]=4 5562 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|2,0,0]=4 5563 B9R0.6 CCCN(C)C(F)C(=O)N 2230a_100000747261_100009813875 [0,2,0,0,0,0|2,0,0]=4 5564 B9R0.6 CCCN(C)C(F)C(=O)N 269982a_100000747261_100009813875 [0,2,0,0,0,0|2,0,0]=4 5565 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,2,0,0,0,0|1,0,1]=4 5566 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,2,0,0,0,0|1,0,1]=4 5567 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,2,0,0,0,0|1,0,1]=4 5568 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,2,0,0,0,0|1,0,1]=4 5569 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,2,0,0,0,0|1,0,1]=4 5570 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,2,0,0,0,0|2,0,0]=4 5571 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,2,0,0,0,0|1,0,1]=4 5572 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,2,0,0,0,0|1,0,1]=4 5573 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000211296_100000210303 [0,2,0,0,0,0|2,0,0]=4 5574 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000226822_100000748629 [0,2,0,0,0,0|2,0,0]=4 5575 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000211296_100000210303 [0,2,0,0,0,0|2,0,0]=4 5576 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000226822_100000748629 [0,2,0,0,0,0|2,0,0]=4 5577 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 5578 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 5579 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,2,0,0,0,0|2,0,0]=4 5580 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,2,0,0,0,0|2,0,0]=4 5581 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [0,2,0,0,0,0|1,0,1]=4 5582 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [0,2,0,0,0,0|1,0,1]=4 5583 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [0,2,0,0,0,0|1,0,1]=4 5584 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [0,2,0,0,0,0|1,0,1]=4 5585 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,2,0,0,0,0|1,0,0]=3 5586 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,2,0,0,0,0|1,0,0]=3 5587 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,2,0,0,0,0|1,0,0]=3 5588 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,2,0,0,0,0|1,0,0]=3 5589 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,2,0,0,0,0|2,0,0]=4 5590 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,2,0,0,0,0|2,0,0]=4 5591 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,2,0,0,0,0|2,0,0]=4 5592 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,2,0,0,0,0|2,0,0]=4 5593 B9R0.14 CCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210207 [0,2,0,0,0,0|2,0,0]=4 5594 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,2,0,0,0,0|1,0,0]=3 5595 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,2,0,0,0,0|1,0,0]=3 5596 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,2,0,0,0,0|2,0,0]=4 5597 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,2,0,0,0,0|2,0,0]=4 5598 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,2,0,0,0,0|2,0,0]=4 5599 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,2,0,0,0,0|2,0,0]=4 5600 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,2,0,0,0,0|1,0,1]=4 5601 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,2,0,0,0,0|1,0,1]=4 5602 B9R0.23 C=C(C)CN(C)C(C)CC 2230a_100000225649_100000758301 [0,2,0,0,0,0|2,0,0]=4 5603 B9R0.23 C=C(C)CN(C)C(C)CC 2230a_100000741768_100000748629 [0,2,0,0,0,0|2,0,0]=4 5604 B9R0.23 C=C(C)CN(C)C(C)CC 269982a_100000225649_100000758301 [0,2,0,0,0,0|2,0,0]=4 5605 B9R0.23 C=C(C)CN(C)C(C)CC 269982a_100000741768_100000748629 [0,2,0,0,0,0|2,0,0]=4 5606 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,2,0,0,0,0|1,0,1]=4 5607 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,2,0,0,0,0|1,0,1]=4 5608 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,2,0,0,0,0|1,0,1]=4 5609 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,2,0,0,0,0|1,0,1]=4 5610 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,2,0,0,0,0|1,0,1]=4 5611 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,2,0,0,0,0|1,0,1]=4 5612 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,2,0,0,0,0|2,0,0]=4 5613 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,2,0,0,0,0|2,0,0]=4 5614 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,2,0,0,0,0|2,0,0]=4 5615 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|2,0,0]=4 5616 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,2,0,0,0,0|2,0,0]=4 5617 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,2,0,0,0,0|1,0,1]=4 5618 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,2,0,0,0,0|1,0,1]=4 5619 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,2,0,0,0,0|1,0,1]=4 5620 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,2,0,0,0,0|1,0,0]=3 5621 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,2,0,0,0,0|1,0,0]=3 5622 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,2,0,0,0,0|2,0,0]=4 5623 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,2,0,0,0,0|0,0,2]=4 5624 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,2,0,0,0,0|0,0,1]=3 5625 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,2,0,0,0,0|0,0,1]=3 5626 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,2,0,0,0,0|0,0,1]=3 5627 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,2,0,0,0,0|0,0,1]=3 5628 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,2,0,0,0,0|0,0,1]=3 5629 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,2,0,0,0,0|0,0,1]=3 5630 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,2,0,0,0,0|0,0,2]=4 5631 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,2,0,0,0,0|0,0,1]=3 5632 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,2,0,0,0,0|1,0,1]=4 5633 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,2,0,0,0,0|1,0,1]=4 5634 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|1,0,1]=4 5635 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|1,0,1]=4 5636 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|1,0,1]=4 5637 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|2,0,0]=4 5638 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5642 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5643 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|0,0,2]=4 5645 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,2,0,0,0,0|0,0,2]=4 5646 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,2,0,0,0,0|0,0,2]=4 5647 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,2,0,0,0,0|0,0,2]=4 5648 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,2,0,0,0,0|0,0,2]=4 5649 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|0,0,1]=3 5650 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|0,0,1]=3 5651 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|0,0,1]=3 5652 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|0,0,1]=3 5653 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|0,0,1]=3 5654 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|0,0,1]=3 5655 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|0,0,0]=2 5656 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|0,0,0]=2 5657 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,2,0,0,0,0|0,0,0]=2 5658 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|0,0,0]=2 5659 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|0,0,0]=2 5660 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|0,0,0]=2 5661 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|0,0,0]=2 5662 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|0,0,0]=2 5663 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,2,0,0,0,0|2,0,0]=4 5664 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,2,0,0,0,0|2,0,0]=4 5665 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5666 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5667 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5668 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,2,0,0,0,0|1,0,0]=3 5669 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|1,0,0]=3 5670 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|1,0,0]=3 5671 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,2,0,0,0,0|1,0,0]=3 5672 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,2,0,0,0,0|1,0,0]=3 5673 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,2,0,0,0,0|1,0,0]=3 5674 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,2,0,0,0,0|1,0,0]=3 5675 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,2,0,0,0,0|1,0,0]=3 5676 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,2,0,0,0,0|1,0,0]=3 5677 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,2,0,0,0,0|1,0,0]=3 5678 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,2,0,0,0,0|1,0,0]=3 5679 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,2,0,0,0,0|1,0,0]=3 5680 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|1,0,0]=3 5681 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 5682 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|1,0,0]=3 5683 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,2,0,0,0,0|1,0,0]=3 5684 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,2,0,0,0,0|1,0,0]=3 5685 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,2,0,0,0,0|1,0,0]=3 5686 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 5687 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 5688 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,2,0,0,0,0|1,0,0]=3 5689 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|1,0,1]=4 5690 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 5691 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 5692 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|1,0,0]=3 5693 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|1,0,1]=4 5694 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|1,0,1]=4 5695 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|1,0,1]=4 5696 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 5697 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|1,0,1]=4 5698 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|1,0,0]=3 5699 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,2,0,0,0,0|1,0,0]=3 5700 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,2,0,0,0,0|1,0,0]=3 5701 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,2,0,0,0,0|1,0,0]=3 5702 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 5703 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 5704 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,2,0,0,0,0|1,0,0]=3 5705 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|1,0,0]=3 5706 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|1,0,0]=3 5707 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,2,0,0,0,0|1,0,1]=4 5708 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,2,0,0,0,0|1,0,1]=4 5709 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,2,0,0,0,0|1,0,1]=4 5710 B9R0.34 CNC(=O)CN(C)CCF 2230a_100000189611_100011217306 [0,2,0,0,0,0|2,0,0]=4 5711 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,2,0,0,0,0|2,0,0]=4 5712 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 5713 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 5714 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,2,0,0,0,0|2,0,0]=4 5715 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,2,0,0,0,0|2,0,0]=4 5716 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 5717 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 5718 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 5719 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 5720 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,2,0,0,0,0|2,0,0]=4 5721 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 5722 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 5723 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,2,0,0,0,0|2,0,0]=4 5724 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,2,0,0,0,0|2,0,0]=4 5725 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|1,0,0]=3 5727 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|1,0,0]=3 5728 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|1,0,1]=4 5729 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|1,0,1]=4 5730 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|1,0,1]=4 5731 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|1,0,1]=4 5732 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|1,0,1]=4 5733 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|1,0,1]=4 5734 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|1,0,1]=4 5735 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|1,0,1]=4 5736 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|2,0,0]=4 5737 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|2,0,0]=4 5738 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|2,0,0]=4 5739 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|2,0,0]=4 5740 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|2,0,0]=4 5741 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|2,0,0]=4 5742 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,2,0,0,0,0|2,0,0]=4 5743 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|1,0,0]=3 5744 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|1,0,0]=3 5745 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|1,0,0]=3 5746 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|1,0,0]=3 5747 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|1,0,1]=4 5748 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,2,0,0,0,0|2,0,0]=4 5749 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,2,0,0,0,0|2,0,0]=4 5750 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,2,0,0,0,0|2,0,0]=4 5751 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|1,0,0]=3 5752 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 5753 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|2,0,0]=4 5754 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,2,0,0,0,0|1,0,1]=4 5755 B9R0.44 CCCC(C)NS(=O)(=O)C 40a_100000741246_100000738038 [0,2,0,0,0,0|2,0,0]=4 5756 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,2,0,0,0,0|1,0,1]=4 5757 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,2,0,0,0,0|1,0,1]=4 5758 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,2,0,0,0,0|2,0,0]=4 5759 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,2,0,0,0,0|2,0,0]=4 5760 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,2,0,0,0,0|2,0,0]=4 5761 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,2,0,0,0,0|2,0,0]=4 5762 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,2,0,0,0,0|2,0,0]=4 5763 B9R0.53 C=C(C)CN(C)CC(C)O 2230a_100000225649_100011218427 [0,2,0,0,0,0|2,0,0]=4 5764 B9R0.53 C=C(C)CN(C)CC(C)O 2230a_100000227577_100000748629 [0,2,0,0,0,0|2,0,0]=4 5765 B9R0.53 C=C(C)CN(C)CC(C)O 269982a_100000225649_100011218427 [0,2,0,0,0,0|2,0,0]=4 5766 B9R0.53 C=C(C)CN(C)CC(C)O 269982a_100000227577_100000748629 [0,2,0,0,0,0|2,0,0]=4 5767 B9R0.53 C=C(C)CN(C)C[C@@H](C)O 2230a_100000225649_100009817552 [0,2,0,0,0,0|2,0,0]=4 5768 B9R0.53 C=C(C)CN(C)C[C@@H](C)O 269982a_100000225649_100009817552 [0,2,0,0,0,0|2,0,0]=4 5769 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,2,0,0,0,0|1,0,1]=4 5770 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,2,0,0,0,0|1,0,1]=4 5771 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,2,0,0,0,0|1,0,0]=3 5772 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,2,0,0,0,0|1,0,0]=3 5773 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,2,0,0,0,0|1,0,0]=3 5774 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,2,0,0,0,0|1,0,0]=3 5775 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,2,0,0,0,0|2,0,0]=4 5776 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,2,0,0,0,0|2,0,0]=4 5777 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,2,0,0,0,0|2,0,0]=4 5778 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,2,0,0,0,0|2,0,0]=4 5779 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,2,0,0,0,0|2,0,0]=4 5780 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,2,0,0,0,0|1,0,1]=4 5781 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,2,0,0,0,0|1,0,1]=4 5782 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,2,0,0,0,0|1,0,1]=4 5783 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,2,0,0,0,0|2,0,0]=4 5784 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,2,0,0,0,0|2,0,0]=4 5785 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,2,0,0,0,0|2,0,0]=4 5786 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,2,0,0,0,0|2,0,0]=4 5787 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,2,0,0,0,0|2,0,0]=4 5788 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,2,0,0,0,0|2,0,0]=4 5789 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,2,0,0,0,0|1,0,1]=4 5790 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,2,0,0,0,0|2,0,0]=4 5791 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,2,0,0,0,0|2,0,0]=4 5792 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,2,0,0,0,0|2,0,0]=4 5793 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,2,0,0,0,0|2,0,0]=4 5794 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,2,0,0,0,0|2,0,0]=4 5795 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,2,0,0,0,0|1,0,1]=4 5796 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,2,0,0,0,0|1,0,1]=4 5797 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,2,0,0,0,0|2,0,0]=4 5798 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,2,0,0,0,0|2,0,0]=4 5799 B9R0.58 CC(=O)CC(C)(C)OCF 7a_100000210262_100015361967 [0,2,0,0,0,0|2,0,0]=4 5800 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,2,0,0,0,0|2,0,0]=4 5801 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,2,0,0,0,0|2,0,0]=4 5802 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,2,0,0,0,0|0,0,0]=2 5803 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,2,0,0,0,0|0,0,0]=2 5804 B9R0.58 CCCS(=O)(=O)NC(=O)C 2740a_100000171175_100015343762 [0,2,0,0,0,0|2,0,0]=4 5805 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,2,0,0,0,0|2,0,0]=4 5806 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|2,0,0]=4 5807 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|1,0,0]=3 5808 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,2,0,0,0,0|1,1,0]=4 5809 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 5810 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 5811 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,2,0,0,0,0|2,0,0]=4 5812 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,2,0,0,0,0|2,0,0]=4 5813 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,2,0,0,0,0|2,0,0]=4 5814 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,2,0,0,0,0|2,0,0]=4 5815 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,2,0,0,0,0|2,0,0]=4 5816 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,2,0,0,0,0|2,0,0]=4 5817 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,2,0,0,0,0|0,0,2]=4 5818 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,2,0,0,0,0|0,0,1]=3 5819 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,2,0,0,0,0|0,0,1]=3 5820 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,2,0,0,0,0|1,0,1]=4 5821 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,2,0,0,0,0|1,0,1]=4 5822 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,2,0,0,0,0|1,0,1]=4 5823 B9R0.1 C#CC(C)NCCC(=C)C 2230a_100000707721_100000730704 [0,2,0,0,0,0|2,0,0]=4 5824 B9R0.1 C#CC(C)NCCC(=C)C 34a_100000707721_100000730704 [0,2,0,0,0,0|2,0,0]=4 5825 B9R0.1 C#CC(C)NCCC(=O)N 2230a_100000707721_100000744528 [0,2,0,0,0,0|2,0,0]=4 5826 B9R0.1 C#CC(C)NCCC(=O)N 34a_100000707721_100000731001 [0,2,0,0,0,0|2,0,0]=4 5827 B9R0.1 C#CC(C)NCOC(=O)C 34a_100000707721_100009813279 [0,2,0,0,0,0|2,0,0]=4 5828 B9R0.1 C#CC(C)OCCC(=C)C 34a_100000764851_200000035995 [0,2,0,0,0,0|2,0,0]=4 5829 B9R0.1 C#CC(C)OCCC(=O)C 34a_100000759926_200000035995 [0,2,0,0,0,0|1,0,0]=3 5830 B9R0.1 C#CC(C)OCCC(=O)N 34a_100000757172_200000035995 [0,2,0,0,0,0|2,0,0]=4 5831 B9R0.1 C#CC(C)SCCC(=C)C 62a_200000035995_100000730704 [0,2,0,0,0,0|2,0,0]=4 5832 B9R0.1 C#CC(C)SCCC(=O)C 62a_200000035995_100000053229 [0,2,0,0,0,0|1,0,0]=3 5833 B9R0.1 C#CC(C)SCCC(=O)N 62a_200000035995_100000744528 [0,2,0,0,0,0|2,0,0]=4 5834 B9R0.1 C#CC(C)SCOC(=O)C 62a_200000035995_100000076356 [0,2,0,0,0,0|2,0,0]=4 5835 B9R0.1 C#C[C@@H](C)OCCC(=C)C 34a_100009815206_100000730704 [0,2,0,0,0,0|2,0,0]=4 5836 B9R0.1 C#C[C@@H](C)OCCC(=C)C 7a_100009815206_100000730704 [0,2,0,0,0,0|2,0,0]=4 5837 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7a_100009815206_100000053229 [0,2,0,0,0,0|1,0,0]=3 5838 B9R0.1 C#C[C@@H](C)OCCC(=O)N 34a_100009815206_100000731001 [0,2,0,0,0,0|2,0,0]=4 5839 B9R0.1 C#C[C@@H](C)OCCC(=O)N 7a_100009815206_100000744528 [0,2,0,0,0,0|2,0,0]=4 5840 B9R0.1 C#C[C@@H](C)OCOC(=O)C 34a_100009815206_100009813279 [0,2,0,0,0,0|2,0,0]=4 5841 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,2,0,0,0,0|1,0,1]=4 5842 B9R0.1 C=C(C)CCNC(C)C#N 2230a_100000737613_100000730704 [0,2,0,0,0,0|2,0,0]=4 5843 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,2,0,0,0,0|1,0,0]=3 5844 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,2,0,0,0,0|2,0,0]=4 5845 B9R0.1 C=C(C)CCOC(C)C#N 34a_100011218135_100000730704 [0,2,0,0,0,0|2,0,0]=4 5846 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,2,0,0,0,0|1,0,0]=3 5847 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,2,0,0,0,0|1,0,0]=3 5848 B9R0.1 C=C(C)CCOC(C)CF 34a_100016041109_100000730704 [0,2,0,0,0,0|2,0,0]=4 5849 B9R0.1 C=C(C)CCOC(C)CF 7a_100016041109_100000730704 [0,2,0,0,0,0|2,0,0]=4 5850 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,2,0,0,0,0|2,0,0]=4 5851 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,2,0,0,0,0|2,0,0]=4 5852 B9R0.1 C=C(C)CCSC(C)C#N 62a_100000703298_100000730704 [0,2,0,0,0,0|2,0,0]=4 5853 B9R0.1 C=C(C)CCSC(C)C#N 62a_100000730704_100000703298 [0,2,0,0,0,0|2,0,0]=4 5854 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,2,0,0,0,0|1,0,0]=3 5855 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,2,0,0,0,0|1,0,0]=3 5856 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,2,0,0,0,0|2,0,0]=4 5857 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,2,0,0,0,0|2,0,0]=4 5858 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,2,0,0,0,0|2,0,0]=4 5859 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,2,0,0,0,0|2,0,0]=4 5860 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,2,0,0,0,0|2,0,0]=4 5861 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,2,0,0,0,0|1,0,1]=4 5862 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,2,0,0,0,0|1,0,0]=3 5863 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,2,0,0,0,0|2,0,0]=4 5864 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,2,0,0,0,0|1,0,0]=3 5865 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,2,0,0,0,0|2,0,0]=4 5866 B9R0.1 C=C(C)CNC[C@@H](F)CO 34a_100015665980_100000748629 [0,2,0,0,0,0|2,0,0]=4 5867 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,2,0,0,0,0|2,0,0]=4 5868 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,2,0,0,0,0|1,0,1]=4 5869 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,2,0,0,0,0|1,0,1]=4 5870 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,2,0,0,0,0|1,0,1]=4 5871 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,2,0,0,0,0|1,0,1]=4 5872 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,2,0,0,0,0|1,0,0]=3 5873 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,2,0,0,0,0|2,0,0]=4 5874 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,2,0,0,0,0|2,0,0]=4 5875 B9R0.1 C=C(C)COCC(Cl)CCl 34a_100000033668_100000748629 [0,2,0,0,0,0|2,0,0]=4 5876 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,2,0,0,0,0|1,0,0]=3 5877 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,2,0,0,0,0|2,0,0]=4 5878 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,2,0,0,0,0|1,0,0]=3 5879 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,2,0,0,0,0|1,0,0]=3 5880 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,2,0,0,0,0|2,0,0]=4 5881 B9R0.1 C=C(C)COC[C@@H](O)CF 34a_100000210245_100015614560 [0,2,0,0,0,0|2,0,0]=4 5882 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,2,0,0,0,0|2,0,0]=4 5883 B9R0.1 C=C(C)COC[C@H](F)CN 34a_100015665980_100000748629 [0,2,0,0,0,0|2,0,0]=4 5884 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,2,0,0,0,0|1,0,1]=4 5885 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,2,0,0,0,0|1,0,1]=4 5886 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,2,0,0,0,0|1,0,1]=4 5888 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,2,0,0,0,0|1,0,1]=4 5889 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,2,0,0,0,0|1,0,1]=4 5890 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,2,0,0,0,0|1,0,0]=3 5891 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,2,0,0,0,0|1,0,0]=3 5892 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,2,0,0,0,0|1,0,0]=3 5893 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,2,0,0,0,0|1,0,0]=3 5894 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,2,0,0,0,0|2,0,0]=4 5895 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,2,0,0,0,0|2,0,0]=4 5896 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,2,0,0,0,0|1,0,0]=3 5897 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,2,0,0,0,0|1,0,0]=3 5898 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,2,0,0,0,0|2,0,0]=4 5899 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,2,0,0,0,0|2,0,0]=4 5900 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100000748629_100015614560 [0,2,0,0,0,0|2,0,0]=4 5901 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100015614560_100000211660 [0,2,0,0,0,0|2,0,0]=4 5902 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,2,0,0,0,0|2,0,0]=4 5903 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,2,0,0,0,0|2,0,0]=4 5904 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,2,0,0,0,0|1,0,1]=4 5905 B9R0.1 C=C(F)CNCC(O)CC 2230a_100011218483_100009893438 [0,2,0,0,0,0|1,0,1]=4 5906 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,2,0,0,0,0|1,0,1]=4 5907 B9R0.1 C=C(F)COCC(O)CC 34a_200010262243_100011218378 [0,2,0,0,0,0|1,0,1]=4 5908 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,2,0,0,0,0|1,0,1]=4 5909 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,2,0,0,0,0|1,0,1]=4 5910 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,2,0,0,0,0|1,0,1]=4 5911 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,2,0,0,0,0|1,0,1]=4 5912 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,2,0,0,0,0|1,0,1]=4 5913 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,2,0,0,0,0|1,0,1]=4 5914 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,2,0,0,0,0|1,0,1]=4 5915 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,2,0,0,0,0|1,0,1]=4 5916 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,2,0,0,0,0|0,0,2]=4 5917 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,2,0,0,0,0|0,0,1]=3 5918 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,2,0,0,0,0|0,0,1]=3 5919 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,2,0,0,0,0|1,0,1]=4 5920 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,2,0,0,0,0|1,0,1]=4 5921 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,2,0,0,0,0|1,0,1]=4 5922 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,2,0,0,0,0|1,0,1]=4 5923 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,2,0,0,0,0|1,0,1]=4 5924 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,2,0,0,0,0|1,0,1]=4 5925 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,2,0,0,0,0|2,0,0]=4 5926 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,2,0,0,0,0|2,0,0]=4 5927 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [0,2,0,0,0,0|2,0,0]=4 5928 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [0,2,0,0,0,0|2,0,0]=4 5929 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [0,2,0,0,0,0|2,0,0]=4 5930 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [0,2,0,0,0,0|2,0,0]=4 5931 B9R0.1 C=CC(C)OCCC(=O)N 34a_100000695699_100000731001 [0,2,0,0,0,0|2,0,0]=4 5932 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,2,0,0,0,0|2,0,0]=4 5933 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,2,0,0,0,0|2,0,0]=4 5934 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,2,0,0,0,0|1,0,0]=3 5935 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [0,2,0,0,0,0|2,0,0]=4 5936 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,2,0,0,0,0|2,0,0]=4 5937 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,2,0,0,0,0|0,0,2]=4 5938 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,2,0,0,0,0|0,0,2]=4 5939 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,2,0,0,0,0|1,0,1]=4 5940 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,2,0,0,0,0|1,0,1]=4 5941 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,2,0,0,0,0|0,0,1]=3 5942 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,2,0,0,0,0|1,0,0]=3 5943 B9R0.1 CC(=O)CCOC(C)C#N 7a_100000759926_100000703298 [0,2,0,0,0,0|1,0,0]=3 5944 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,2,0,0,0,0|1,0,0]=3 5945 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,2,0,0,0,0|1,0,0]=3 5946 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,2,0,0,0,0|1,0,0]=3 5947 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000053229_100000703298 [0,2,0,0,0,0|1,0,0]=3 5948 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000703298_100000053229 [0,2,0,0,0,0|1,0,0]=3 5949 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,2,0,0,0,0|1,0,0]=3 5950 B9R0.1 CC(=O)CCSC(F)C#N 62a_100000053229_200000117898 [0,2,0,0,0,0|1,0,1]=4 5951 B9R0.1 CC(=O)CCSC(F)C#N 62a_200000117898_100000053229 [0,2,0,0,0,0|1,0,1]=4 5952 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,2,0,0,0,0|1,0,0]=3 5953 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,2,0,0,0,0|1,0,0]=3 5954 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,2,0,0,0,0|1,0,0]=3 5955 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,2,0,0,0,0|1,0,0]=3 5956 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,2,0,0,0,0|1,0,0]=3 5957 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,2,0,0,0,0|1,0,0]=3 5958 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,2,0,0,0,0|1,0,1]=4 5959 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,2,0,0,0,0|1,0,1]=4 5960 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,2,0,0,0,0|1,0,0]=3 5961 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,2,0,0,0,0|1,0,0]=3 5962 B9R0.1 CC(=O)NNCC(C)C#N 22a_100000045663_100000070787 [0,2,0,0,0,0|2,0,0]=4 5963 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,2,0,0,0,0|1,0,1]=4 5964 B9R0.1 CC(=O)OCOC(C)C#N 34a_100011218135_100009813279 [0,2,0,0,0,0|2,0,0]=4 5965 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,2,0,0,0,0|2,0,0]=4 5966 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,2,0,0,0,0|2,0,0]=4 5967 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000076356_100000703298 [0,2,0,0,0,0|2,0,0]=4 5968 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000703298_100000076356 [0,2,0,0,0,0|2,0,0]=4 5969 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,2,0,0,0,0|2,0,0]=4 5970 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,2,0,0,0,0|2,0,0]=4 5971 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,2,0,0,0,0|2,0,0]=4 5972 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,2,0,0,0,0|1,0,1]=4 5973 B9R0.1 CC(C#N)NCCC(=O)N 2230a_100000737613_100000744528 [0,2,0,0,0,0|2,0,0]=4 5974 B9R0.1 CC(C#N)OCCC(=O)N 34a_100011218135_100000731001 [0,2,0,0,0,0|2,0,0]=4 5975 B9R0.1 CC(C#N)OCCC(=O)N 7a_100000757172_100000703298 [0,2,0,0,0,0|2,0,0]=4 5976 B9R0.1 CC(C#N)SCCC(=O)N 62a_100000703298_100000744528 [0,2,0,0,0,0|2,0,0]=4 5977 B9R0.1 CC(C#N)SCCC(=O)N 62a_100000744528_100000703298 [0,2,0,0,0,0|2,0,0]=4 5978 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,2,0,0,0,0|0,0,2]=4 5979 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,2,0,0,0,0|0,0,0]=2 5980 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|0,0,0]=2 5981 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5982 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,2,0,0,0,0|0,0,2]=4 5983 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,2,0,0,0,0|0,0,2]=4 5984 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|1,0,0]=3 5985 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|1,0,0]=3 5986 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,2,0,0,0,0|2,0,0]=4 5987 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,2,0,0,0,0|1,0,0]=3 5988 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,2,0,0,0,0|1,0,0]=3 5989 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|1,0,0]=3 5990 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,2,0,0,0,0|1,0,0]=3 5991 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,2,0,0,0,0|2,0,0]=4 5992 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,2,0,0,0,0|2,0,0]=4 5993 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,2,0,0,0,0|2,0,0]=4 5994 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,2,0,0,0,0|2,0,0]=4 5995 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,2,0,0,0,0|2,0,0]=4 5996 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,2,0,0,0,0|2,0,0]=4 5997 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,2,0,0,0,0|2,0,0]=4 5998 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,2,0,0,0,0|2,0,0]=4 5999 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,2,0,0,0,0|2,0,0]=4 6000 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,2,0,0,0,0|2,0,0]=4 6001 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|0,0,0]=2 6002 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|1,0,0]=3 6003 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|1,0,0]=3 6004 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,2,0,0,0,0|2,0,0]=4 6005 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,2,0,0,0,0|0,0,2]=4 6006 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,2,0,0,0,0|0,0,2]=4 6007 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,2,0,0,0,0|0,0,0]=2 6008 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,2,0,0,0,0|1,0,0]=3 6009 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|0,0,0]=2 6010 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|0,0,0]=2 6011 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|0,0,0]=2 6012 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,2,0,0,0,0|1,0,0]=3 6013 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,2,0,0,0,0|2,0,0]=4 6014 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,2,0,0,0,0|0,0,1]=3 6015 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,2,0,0,0,0|0,0,1]=3 6016 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,2,0,0,0,0|1,0,1]=4 6017 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,2,0,0,0,0|1,0,1]=4 6018 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|0,0,1]=3 6019 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,2,0,0,0,0|1,0,1]=4 6020 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,2,0,0,0,0|1,0,0]=3 6021 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,2,0,0,0,0|0,0,1]=3 6022 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,2,0,0,0,0|1,0,0]=3 6023 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,2,0,0,0,0|1,0,1]=4 6024 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,2,0,0,0,0|1,0,1]=4 6025 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,2,0,0,0,0|1,0,1]=4 6026 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,2,0,0,0,0|1,0,1]=4 6027 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,2,0,0,0,0|1,0,0]=3 6028 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,2,0,0,0,0|1,0,0]=3 6029 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|1,0,0]=3 6030 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,2,0,0,0,0|2,0,0]=4 6031 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|1,0,0]=3 6032 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,2,0,0,0,0|1,0,1]=4 6033 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,2,0,0,0,0|1,0,1]=4 6034 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,2,0,0,0,0|1,0,1]=4 6035 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,2,0,0,0,0|1,0,1]=4 6036 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|1,0,0]=3 6037 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|1,0,0]=3 6038 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|1,0,0]=3 6039 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|1,0,0]=3 6040 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,2,0,0,0,0|2,0,0]=4 6041 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,2,0,0,0,0|2,0,0]=4 6042 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|1,0,0]=3 6043 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|1,0,0]=3 6044 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 6045 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 6046 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,2,0,0,0,0|1,0,1]=4 6047 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6048 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6049 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6050 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 6051 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|1,0,0]=3 6052 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|1,0,0]=3 6053 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 6054 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 6055 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,2,0,0,0,0|2,0,0]=4 6056 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,2,0,0,0,0|2,0,0]=4 6057 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,2,0,0,0,0|1,0,1]=4 6058 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,2,0,0,0,0|0,0,0]=2 6059 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,2,0,0,0,0|0,0,0]=2 6060 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,2,0,0,0,0|0,0,0]=2 6061 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,2,0,0,0,0|0,0,0]=2 6062 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,2,0,0,0,0|1,0,1]=4 6063 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,2,0,0,0,0|1,0,1]=4 6064 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,2,0,0,0,0|1,0,0]=3 6065 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,2,0,0,0,0|1,0,0]=3 6066 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,2,0,0,0,0|1,0,0]=3 6067 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,2,0,0,0,0|1,0,1]=4 6068 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,2,0,0,0,0|1,0,1]=4 6069 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,2,0,0,0,0|1,0,1]=4 6070 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,2,0,0,0,0|1,0,1]=4 6071 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,2,0,0,0,0|1,0,1]=4 6072 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,2,0,0,0,0|0,0,2]=4 6073 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,2,0,0,0,0|0,0,2]=4 6074 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,2,0,0,0,0|0,0,2]=4 6075 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,2,0,0,0,0|0,0,2]=4 6076 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,2,0,0,0,0|0,0,2]=4 6077 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,2,0,0,0,0|0,0,0]=2 6078 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,2,0,0,0,0|1,0,1]=4 6079 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,2,0,0,0,0|1,0,1]=4 6080 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,2,0,0,0,0|1,0,1]=4 6081 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,2,0,0,0,0|1,0,1]=4 6082 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,2,0,0,0,0|1,0,1]=4 6083 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,2,0,0,0,0|1,0,0]=3 6084 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,2,0,0,0,0|1,0,0]=3 6085 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,2,0,0,0,0|1,0,0]=3 6086 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,2,0,0,0,0|1,0,0]=3 6087 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,2,0,0,0,0|1,0,1]=4 6088 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,2,0,0,0,0|1,0,1]=4 6089 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,2,0,0,0,0|0,0,2]=4 6090 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,2,0,0,0,0|0,0,2]=4 6091 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,2,0,0,0,0|0,0,2]=4 6092 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,2,0,0,0,0|0,0,2]=4 6093 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,2,0,0,0,0|2,0,0]=4 6094 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,2,0,0,0,0|1,0,1]=4 6095 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,2,0,0,0,0|1,0,1]=4 6096 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,2,0,0,0,0|1,0,0]=3 6097 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,2,0,0,0,0|1,0,1]=4 6098 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,2,0,0,0,0|1,0,1]=4 6099 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,2,0,0,0,0|0,0,2]=4 6100 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,2,0,0,0,0|0,0,2]=4 6101 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,2,0,0,0,0|2,0,0]=4 6102 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,2,0,0,0,0|1,0,1]=4 6103 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,2,0,0,0,0|1,0,1]=4 6104 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,2,0,0,0,0|0,0,0]=2 6105 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,2,0,0,0,0|0,0,0]=2 6106 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,2,0,0,0,0|0,0,0]=2 6107 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,2,0,0,0,0|1,0,0]=3 6108 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,2,0,0,0,0|1,0,0]=3 6109 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,2,0,0,0,0|1,0,0]=3 6110 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,2,0,0,0,0|1,0,1]=4 6111 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,2,0,0,0,0|1,0,1]=4 6112 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,2,0,0,0,0|1,0,1]=4 6113 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,2,0,0,0,0|1,0,1]=4 6114 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,2,0,0,0,0|0,0,2]=4 6115 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,2,0,0,0,0|2,0,0]=4 6116 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,2,0,0,0,0|1,0,1]=4 6117 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,2,0,0,0,0|1,0,1]=4 6118 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,2,0,0,0,0|1,0,1]=4 6119 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,2,0,0,0,0|0,0,0]=2 6120 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,2,0,0,0,0|0,0,0]=2 6121 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,2,0,0,0,0|1,0,0]=3 6122 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,2,0,0,0,0|1,0,0]=3 6123 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,2,0,0,0,0|1,0,1]=4 6124 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,2,0,0,0,0|1,0,1]=4 6125 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,2,0,0,0,0|0,0,2]=4 6126 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,2,0,0,0,0|0,0,2]=4 6127 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,2,0,0,0,0|2,0,0]=4 6128 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,2,0,0,0,0|1,0,0]=3 6129 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,2,0,0,0,0|1,0,0]=3 6130 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,2,0,0,0,0|1,0,0]=3 6131 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,2,0,0,0,0|1,0,0]=3 6132 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,2,0,0,0,0|1,0,0]=3 6133 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,2,0,0,0,0|1,0,1]=4 6134 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,2,0,0,0,0|1,0,1]=4 6135 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,2,0,0,0,0|1,0,1]=4 6136 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,2,0,0,0,0|1,0,1]=4 6137 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,2,0,0,0,0|0,0,2]=4 6138 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,2,0,0,0,0|0,0,2]=4 6139 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,2,0,0,0,0|0,0,2]=4 6140 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,2,0,0,0,0|0,0,2]=4 6141 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,2,0,0,0,0|1,0,0]=3 6142 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,2,0,0,0,0|0,0,0]=2 6143 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,2,0,0,0,0|1,0,1]=4 6144 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,2,0,0,0,0|1,0,1]=4 6145 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,2,0,0,0,0|1,0,1]=4 6146 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,2,0,0,0,0|1,0,1]=4 6147 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,2,0,0,0,0|1,0,1]=4 6148 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,2,0,0,0,0|1,0,0]=3 6149 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,2,0,0,0,0|1,0,0]=3 6150 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,2,0,0,0,0|1,0,0]=3 6151 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,2,0,0,0,0|1,0,0]=3 6152 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,2,0,0,0,0|1,0,1]=4 6153 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,2,0,0,0,0|1,0,1]=4 6154 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,2,0,0,0,0|0,0,2]=4 6155 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,2,0,0,0,0|0,0,2]=4 6156 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,2,0,0,0,0|0,0,2]=4 6157 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,2,0,0,0,0|0,0,2]=4 6158 B9R0.1 CCC(O)CSC[N+](=O)[O-] 62a_100011218378_100000761209 [0,2,0,0,0,0|2,0,0]=4 6159 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,2,0,0,0,0|1,0,1]=4 6160 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,2,0,0,0,0|1,0,1]=4 6161 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,2,0,0,0,0|0,0,0]=2 6162 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,2,0,0,0,0|0,0,0]=2 6163 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,2,0,0,0,0|1,0,0]=3 6164 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,2,0,0,0,0|1,0,0]=3 6165 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,2,0,0,0,0|1,0,1]=4 6166 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,2,0,0,0,0|1,0,1]=4 6167 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,2,0,0,0,0|0,0,2]=4 6168 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,2,0,0,0,0|0,0,2]=4 6169 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,2,0,0,0,0|2,0,0]=4 6170 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,2,0,0,0,0|2,0,0]=4 6171 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,2,0,0,0,0|2,0,0]=4 6172 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,2,0,0,0,0|2,0,0]=4 6173 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,2,0,0,0,0|2,0,0]=4 6174 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,2,0,0,0,0|1,0,0]=3 6175 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,2,0,0,0,0|1,0,0]=3 6176 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,2,0,0,0,0|2,0,0]=4 6177 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,2,0,0,0,0|2,0,0]=4 6178 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,2,0,0,0,0|1,0,0]=3 6179 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,2,0,0,0,0|2,0,0]=4 6180 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,2,0,0,0,0|2,0,0]=4 6181 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,2,0,0,0,0|1,0,0]=3 6182 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,2,0,0,0,0|1,0,0]=3 6183 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,2,0,0,0,0|1,0,1]=4 6184 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,2,0,0,0,0|1,0,1]=4 6185 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,2,0,0,0,0|0,0,2]=4 6186 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,2,0,0,0,0|0,0,2]=4 6187 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,2,0,0,0,0|0,0,0]=2 6188 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,2,0,0,0,0|1,0,0]=3 6189 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,2,0,0,0,0|1,0,1]=4 6190 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,2,0,0,0,0|1,0,1]=4 6191 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,2,0,0,0,0|1,0,1]=4 6192 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,2,0,0,0,0|1,0,1]=4 6193 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,2,0,0,0,0|0,0,2]=4 6194 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,2,0,0,0,0|1,0,1]=4 6195 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,2,0,0,0,0|1,0,1]=4 6196 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,2,0,0,0,0|0,0,2]=4 6197 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,2,0,0,0,0|1,0,0]=3 6198 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,2,0,0,0,0|1,0,0]=3 6199 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,2,0,0,0,0|1,0,0]=3 6200 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,2,0,0,0,0|1,0,0]=3 6201 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,2,0,0,0,0|1,0,1]=4 6202 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,2,0,0,0,0|1,0,1]=4 6203 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,2,0,0,0,0|0,0,2]=4 6204 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,2,0,0,0,0|0,0,2]=4 6205 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,2,0,0,0,0|0,0,2]=4 6206 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,2,0,0,0,0|0,0,2]=4 6207 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,2,0,0,0,0|2,0,0]=4 6208 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,2,0,0,0,0|1,0,0]=3 6209 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,2,0,0,0,0|2,0,0]=4 6210 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,2,0,0,0,0|2,0,0]=4 6211 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,2,0,0,0,0|1,0,0]=3 6212 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,2,0,0,0,0|2,0,0]=4 6213 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,2,0,0,0,0|0,0,2]=4 6214 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,2,0,0,0,0|0,0,2]=4 6215 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,2,0,0,0,0|0,0,2]=4 6216 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,2,0,0,0,0|0,0,1]=3 6217 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|0,0,0]=2 6218 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|0,0,0]=2 6219 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|0,0,0]=2 6220 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|0,0,0]=2 6221 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|0,0,0]=2 6222 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|0,0,0]=2 6223 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,2,0,0,0,0|1,0,0]=3 6224 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,2,0,0,0,0|1,0,0]=3 6225 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,2,0,0,0,0|1,0,0]=3 6226 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,2,0,0,0,0|1,0,0]=3 6227 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,2,0,0,0,0|2,0,0]=4 6228 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 6229 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 6230 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,2,0,0,0,0|2,0,0]=4 6231 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,2,0,0,0,0|1,0,1]=4 6232 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,2,0,0,0,0|1,0,1]=4 6233 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 6234 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,2,0,0,0,0|1,0,1]=4 6235 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 6236 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,2,0,0,0,0|1,0,1]=4 6237 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,2,0,0,0,0|1,0,1]=4 6238 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,2,0,0,0,0|1,0,0]=3 6239 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,2,0,0,0,0|1,0,0]=3 6240 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,2,0,0,0,0|1,0,0]=3 6241 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,2,0,0,0,0|1,0,0]=3 6242 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,2,0,0,0,0|1,0,0]=3 6243 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,2,0,0,0,0|1,0,0]=3 6244 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,2,0,0,0,0|1,0,1]=4 6245 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,2,0,0,0,0|1,0,1]=4 6246 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,2,0,0,0,0|1,0,0]=3 6247 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,2,0,0,0,0|1,0,0]=3 6248 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,2,0,0,0,0|1,0,0]=3 6249 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,2,0,0,0,0|1,0,0]=3 6250 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,2,0,0,0,0|1,0,0]=3 6251 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,2,0,0,0,0|1,0,0]=3 6252 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,2,0,0,0,0|1,0,0]=3 6253 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,2,0,0,0,0|1,0,0]=3 6254 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,2,0,0,0,0|1,0,0]=3 6255 B9R0.1 CNC(=O)CNCC(F)F 2230a_100000693194_100011934356 [0,2,0,0,0,0|2,0,0]=4 6256 B9R0.1 CNC(=O)CNCC(F)F 34a_100000765723_100000183359 [0,2,0,0,0,0|2,0,0]=4 6257 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,2,0,0,0,0|1,0,0]=3 6258 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,2,0,0,0,0|1,0,1]=4 6259 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,2,0,0,0,0|1,0,0]=3 6260 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,2,0,0,0,0|1,0,0]=3 6261 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 6262 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 6263 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,2,0,0,0,0|1,0,0]=3 6264 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,2,0,0,0,0|1,0,0]=3 6265 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,2,0,0,0,0|1,0,0]=3 6266 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,2,0,0,0,0|1,0,0]=3 6267 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,2,0,0,0,0|1,0,0]=3 6268 B9R0.1 CNC(=O)COCC(F)F 34a_100000743014_100000183359 [0,2,0,0,0,0|2,0,0]=4 6269 B9R0.1 CNC(=O)COCC(F)F 34a_100000750040_100011934356 [0,2,0,0,0,0|2,0,0]=4 6270 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,2,0,0,0,0|1,0,0]=3 6271 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,2,0,0,0,0|1,0,0]=3 6272 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,2,0,0,0,0|1,0,0]=3 6273 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,2,0,0,0,0|1,0,0]=3 6274 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,2,0,0,0,0|1,0,0]=3 6275 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,2,0,0,0,0|1,0,0]=3 6276 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,2,0,0,0,0|1,0,0]=3 6277 B9R0.1 CNC(=O)CSCC(F)F 62a_100000183359_100011934356 [0,2,0,0,0,0|2,0,0]=4 6278 B9R0.1 CNC(=O)CSCC(F)F 62a_100011934356_100000183359 [0,2,0,0,0,0|2,0,0]=4 6279 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,2,0,0,0,0|1,0,0]=3 6280 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,2,0,0,0,0|1,0,0]=3 6281 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,2,0,0,0,0|1,0,0]=3 6282 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 6283 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 6284 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 6285 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 6286 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,2,0,0,0,0|1,0,0]=3 6287 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|1,0,0]=3 6288 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|1,0,0]=3 6289 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|1,0,0]=3 6290 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|1,0,0]=3 6291 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 6292 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,2,0,0,0,0|2,0,0]=4 6293 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 6294 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,2,0,0,0,0|2,0,0]=4 6295 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,2,0,0,0,0|2,0,0]=4 6296 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,2,0,0,0,0|2,0,0]=4 6297 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,2,0,0,0,0|2,0,0]=4 6298 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,2,0,0,0,0|2,0,0]=4 6299 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,2,0,0,0,0|2,0,0]=4 6300 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,2,0,0,0,0|1,0,1]=4 6301 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|2,0,0]=4 6302 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,2,0,0,0,0|1,0,1]=4 6303 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,2,0,0,0,0|1,0,1]=4 6304 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,2,0,0,0,0|1,0,1]=4 6305 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,2,0,0,0,0|0,0,1]=3 6306 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,2,0,0,0,0|0,0,1]=3 6307 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,2,0,0,0,0|0,0,1]=3 6308 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,2,0,0,0,0|1,0,0]=3 6309 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,2,0,0,0,0|1,0,0]=3 6310 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,2,0,0,0,0|1,0,0]=3 6311 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,2,0,0,0,0|1,0,0]=3 6312 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,2,0,0,0,0|1,0,1]=4 6313 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,2,0,0,0,0|1,0,0]=3 6314 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,2,0,0,0,0|1,0,0]=3 6315 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,2,0,0,0,0|1,0,0]=3 6316 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,2,0,0,0,0|1,0,0]=3 6317 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,2,0,0,0,0|1,0,0]=3 6318 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|1,0,0]=3 6319 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|1,0,0]=3 6320 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 6321 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 6322 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,2,0,0,0,0|2,0,0]=4 6323 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,2,0,0,0,0|1,0,1]=4 6324 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,2,0,0,0,0|1,0,0]=3 6325 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|1,0,0]=3 6326 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,2,0,0,0,0|1,0,0]=3 6327 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,2,0,0,0,0|2,0,0]=4 6328 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,2,0,0,0,0|1,0,0]=3 6329 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,2,0,0,0,0|1,0,0]=3 6330 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,2,0,0,0,0|1,0,1]=4 6331 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,2,0,0,0,0|1,0,1]=4 6332 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|1,0,0]=3 6333 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|1,0,0]=3 6334 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,2,0,0,0,0|1,0,0]=3 6335 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,2,0,0,0,0|1,0,0]=3 6336 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,2,0,0,0,0|2,0,0]=4 6337 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,2,0,0,0,0|2,0,0]=4 6338 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,2,0,0,0,0|1,0,0]=3 6339 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,2,0,0,0,0|1,0,0]=3 6340 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|2,0,0]=4 6341 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,2,0,0,0,0|1,0,1]=4 6342 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,2,0,0,0,0|1,0,1]=4 6343 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,2,0,0,0,0|1,0,0]=3 6344 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,2,0,0,0,0|0,0,2]=4 6345 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,2,0,0,0,0|0,0,2]=4 6346 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,2,0,0,0,0|2,0,0]=4 6347 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,2,0,0,0,0|2,0,0]=4 6348 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,2,0,0,0,0|1,0,0]=3 6349 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,2,0,0,0,0|1,0,0]=3 6350 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,2,0,0,0,0|2,0,0]=4 6351 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,2,0,0,0,0|2,0,0]=4 6352 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,2,0,0,0,0|2,0,0]=4 6353 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,2,0,0,0,0|2,0,0]=4 6354 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,2,0,0,0,0|2,0,0]=4 6355 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,2,0,0,0,0|2,0,0]=4 6356 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,2,0,0,0,0|2,0,0]=4 6357 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,2,0,0,0,0|2,0,0]=4 6358 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,2,0,0,0,0|2,0,0]=4 6359 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,2,0,0,0,0|2,0,0]=4 6360 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,2,0,0,0,0|2,0,0]=4 6361 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,2,0,0,0,0|2,0,0]=4 6362 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,2,0,0,0,0|2,0,0]=4 6363 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,2,0,0,0,0|2,0,0]=4 6364 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,2,0,0,0,0|1,0,1]=4 6365 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,2,0,0,0,0|2,0,0]=4 6366 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,2,0,0,0,0|2,0,0]=4 6367 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,2,0,0,0,0|2,0,0]=4 6368 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,2,0,0,0,0|2,0,0]=4 6369 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,2,0,0,0,0|2,0,0]=4 6370 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,2,0,0,0,0|2,0,0]=4 6371 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,2,0,0,0,0|2,0,0]=4 6372 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,2,0,0,0,0|2,0,0]=4 6373 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,2,0,0,0,0|2,0,0]=4 6374 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,2,0,0,0,0|2,0,0]=4 6375 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,2,0,0,0,0|2,0,0]=4 6376 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,2,0,0,0,0|2,0,0]=4 6377 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,2,0,0,0,0|2,0,0]=4 6378 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,2,0,0,0,0|2,0,0]=4 6379 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [0,2,0,0,0,0|2,0,0]=4 6380 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,2,0,0,0,0|2,0,0]=4 6381 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,2,0,0,0,0|2,0,0]=4 6382 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,2,0,0,0,0|2,0,0]=4 6383 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,2,0,0,0,0|2,0,0]=4 6384 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,2,0,0,0,0|2,0,0]=4 6385 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,2,0,0,0,0|2,0,0]=4 6386 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,2,0,0,0,0|2,0,0]=4 6387 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,2,0,0,0,0|2,0,0]=4 6388 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,2,0,0,0,0|2,0,0]=4 6389 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,2,0,0,0,0|2,0,0]=4 6390 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,2,0,0,0,0|2,0,0]=4 6391 B9R0.5 C#CCC(=O)C#CCCC 1458a_200011218047_100000184674 [0,2,0,0,0,0|0,0,2]=4 6392 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [0,2,0,0,0,0|0,0,2]=4 6393 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [0,2,0,0,0,0|0,0,2]=4 6394 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,2,0,0,0,0|0,0,2]=4 6395 B9R0.5 C#CCC(=O)CC#CCC 1458a_100011220946_100009813939 [0,2,0,0,0,0|0,0,2]=4 6396 B9R0.5 C#CCC(=O)CCCC#N 1458a_100000075515_100000184674 [0,2,0,0,0,0|1,0,1]=4 6397 B9R0.5 C#CCC(=O)CCCC#N 1458a_100011220946_100000211468 [0,2,0,0,0,0|1,0,1]=4 6398 B9R0.5 C#CCC(=O)CCCC=C 1458a_100000766728_100000184674 [0,2,0,0,0,0|0,0,2]=4 6399 B9R0.5 C#CCC(=O)CCCC=C 1458a_100011220946_100000757094 [0,2,0,0,0,0|0,0,2]=4 6400 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,2,0,0,0,0|0,0,0]=2 6401 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,2,0,0,0,0|0,0,0]=2 6402 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,2,0,0,0,0|1,0,0]=3 6403 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,2,0,0,0,0|1,0,0]=3 6404 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,2,0,0,0,0|1,0,0]=3 6405 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,2,0,0,0,0|1,0,0]=3 6406 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,2,0,0,0,0|1,0,0]=3 6407 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,2,0,0,0,0|1,0,0]=3 6408 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,2,0,0,0,0|1,0,0]=3 6409 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,2,0,0,0,0|1,0,0]=3 6410 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,2,0,0,0,0|1,0,0]=3 6411 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,2,0,0,0,0|1,0,0]=3 6412 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|1,0,0]=3 6413 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|2,0,0]=4 6414 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,2,0,0,0,0|1,0,0]=3 6415 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,2,0,0,0,0|1,0,0]=3 6416 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,2,0,0,0,0|1,0,0]=3 6417 B9R0.5 C#CCC(=O)NCCCF 1626a_100015189416_100011220946 [0,2,0,0,0,0|2,0,0]=4 6418 B9R0.5 C#CCC(=O)NCCCF 527a_100015189416_100011220946 [0,2,0,0,0,0|2,0,0]=4 6419 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,2,0,0,0,0|2,0,0]=4 6420 B9R0.5 C#CCC(=O)NCCOC 1626a_100000209980_100011220946 [0,2,0,0,0,0|2,0,0]=4 6421 B9R0.5 C#CCC(=O)NCCOC 527a_100000209980_100011220946 [0,2,0,0,0,0|2,0,0]=4 6422 B9R0.5 C#CCC(=O)NCCSC 1626a_100020590264_100011220946 [0,2,0,0,0,0|2,0,0]=4 6423 B9R0.5 C#CCC(=O)NCCSC 527a_100020590264_100011220946 [0,2,0,0,0,0|2,0,0]=4 6424 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,2,0,0,0,0|0,0,2]=4 6425 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,2,0,0,0,0|0,0,2]=4 6426 B9R0.5 C#CCCCC(=O)CC#C 1458a_100000690238_100000184674 [0,2,0,0,0,0|0,0,2]=4 6427 B9R0.5 C#CCCCC(=O)CC#C 1458a_100011220946_100000731252 [0,2,0,0,0,0|0,0,2]=4 6428 B9R0.5 C#CCCCC(=O)CC#N 1458a_100000690238_100011214920 [0,2,0,0,0,0|0,0,2]=4 6429 B9R0.5 C#CCCCC(=O)CC#N 1458a_100051588842_100000731252 [0,2,0,0,0,0|0,0,2]=4 6430 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [0,2,0,0,0,0|0,0,2]=4 6431 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [0,2,0,0,0,0|0,0,2]=4 6432 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|0,0,2]=4 6433 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|0,0,2]=4 6434 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,2,0,0,0,0|0,0,2]=4 6435 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,2,0,0,0,0|0,0,2]=4 6436 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,2,0,0,0,0|0,0,2]=4 6437 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|0,0,2]=4 6438 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,2,0,0,0,0|0,0,2]=4 6439 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|0,0,2]=4 6440 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|0,0,2]=4 6441 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|0,0,2]=4 6442 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,2,0,0,0,0|0,0,2]=4 6443 B9R0.5 C#CCN(C)CCCCC 2230a_100000223495_100000038162 [0,2,0,0,0,0|2,0,0]=4 6444 B9R0.5 C#CCN(C)CCCCC 2230a_100000225692_100000210326 [0,2,0,0,0,0|2,0,0]=4 6445 B9R0.5 C#CCN(C)CCCCC 34a_100000225692_100000718602 [0,2,0,0,0,0|2,0,0]=4 6446 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [0,2,0,0,0,0|0,0,2]=4 6447 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,2,0,0,0,0|0,0,2]=4 6448 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,2,0,0,0,0|0,0,2]=4 6449 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,2,0,0,0,0|0,0,2]=4 6450 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [0,2,0,0,0,0|0,0,2]=4 6451 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [0,2,0,0,0,0|1,0,1]=4 6452 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [0,2,0,0,0,0|1,0,1]=4 6453 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,2,0,0,0,0|0,0,0]=2 6454 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,2,0,0,0,0|0,0,0]=2 6455 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,2,0,0,0,0|1,0,0]=3 6456 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|1,0,0]=3 6457 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|1,0,0]=3 6458 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,2,0,0,0,0|1,0,0]=3 6459 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,2,0,0,0,0|1,0,0]=3 6460 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,2,0,0,0,0|1,0,0]=3 6461 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|1,0,0]=3 6462 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|1,0,0]=3 6463 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,2,0,0,0,0|1,0,0]=3 6464 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,2,0,0,0,0|1,0,0]=3 6465 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|1,0,0]=3 6466 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|2,0,0]=4 6467 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,2,0,0,0,0|1,0,0]=3 6468 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,2,0,0,0,0|1,0,0]=3 6469 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,2,0,0,0,0|1,0,0]=3 6470 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,2,0,0,0,0|1,0,0]=3 6471 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,2,0,0,0,0|1,0,0]=3 6472 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 6473 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 6474 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 6475 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [0,2,0,0,0,0|2,0,0]=4 6476 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 6477 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 6478 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 6479 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 6480 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [0,2,0,0,0,0|2,0,0]=4 6481 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 6482 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 6483 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 6484 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [0,2,0,0,0,0|2,0,0]=4 6485 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [0,2,0,0,0,0|2,0,0]=4 6486 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,2,0,0,0,0|0,0,2]=4 6487 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,2,0,0,0,0|0,0,2]=4 6488 B9R0.5 C=CCCCC(=O)CC#N 1458a_100000766728_100011214920 [0,2,0,0,0,0|0,0,2]=4 6489 B9R0.5 C=CCCCC(=O)CC#N 1458a_100051588842_100000757094 [0,2,0,0,0,0|0,0,2]=4 6490 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [0,2,0,0,0,0|0,0,2]=4 6491 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [0,2,0,0,0,0|0,0,2]=4 6492 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|0,0,2]=4 6493 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|0,0,2]=4 6494 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,2,0,0,0,0|0,0,2]=4 6495 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|0,0,2]=4 6496 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|0,0,2]=4 6497 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|0,0,2]=4 6498 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,2,0,0,0,0|0,0,2]=4 6499 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|0,0,2]=4 6500 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|0,0,2]=4 6501 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|0,0,2]=4 6502 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,2,0,0,0,0|0,0,2]=4 6503 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,2,0,0,0,0|2,0,0]=4 6504 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,2,0,0,0,0|2,0,0]=4 6505 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,2,0,0,0,0|2,0,0]=4 6506 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,2,0,0,0,0|2,0,0]=4 6507 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|1,0,1]=4 6508 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|1,0,1]=4 6509 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|1,0,1]=4 6510 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,2,0,0,0,0|0,0,2]=4 6511 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,2,0,0,0,0|0,0,2]=4 6512 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,2,0,0,0,0|1,0,1]=4 6513 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,2,0,0,0,0|0,0,0]=2 6514 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,2,0,0,0,0|1,0,0]=3 6515 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|1,0,0]=3 6516 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,2,0,0,0,0|1,0,0]=3 6517 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|1,0,0]=3 6518 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|1,0,0]=3 6519 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,2,0,0,0,0|2,0,0]=4 6520 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [0,2,0,0,0,0|0,0,2]=4 6521 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|0,0,2]=4 6522 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,2,0,0,0,0|0,0,2]=4 6523 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|0,0,2]=4 6524 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|0,0,2]=4 6525 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|0,0,2]=4 6526 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|0,0,2]=4 6527 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,2,0,0,0,0|0,0,2]=4 6528 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [0,2,0,0,0,0|0,0,2]=4 6529 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|0,0,2]=4 6530 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|0,0,2]=4 6531 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,2]=4 6532 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|0,0,2]=4 6533 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,2,0,0,0,0|0,0,2]=4 6534 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,2,0,0,0,0|0,0,2]=4 6535 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,2,0,0,0,0|1,0,1]=4 6536 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|0,0,0]=2 6537 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|1,0,0]=3 6538 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|1,0,0]=3 6539 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,2,0,0,0,0|1,0,0]=3 6540 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|1,0,0]=3 6541 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,0]=3 6542 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 6543 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 6544 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,2,0,0,0,0|1,0,0]=3 6545 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,2,0,0,0,0|2,0,0]=4 6546 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,2,0,0,0,0|2,0,0]=4 6547 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,2,0,0,0,0|2,0,0]=4 6548 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|2,0,0]=4 6549 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,2,0,0,0,0|2,0,0]=4 6550 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,2,0,0,0,0|2,0,0]=4 6551 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|2,0,0]=4 6552 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|2,0,0]=4 6553 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|2,0,0]=4 6554 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,2,0,0,0,0|2,0,0]=4 6555 B9R0.5 CCC#CCC(=O)CC#N 1458a_100051588842_100009813939 [0,2,0,0,0,0|0,0,2]=4 6556 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,2,0,0,0,0|0,0,2]=4 6557 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,2,0,0,0,0|0,0,2]=4 6558 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,2,0,0,0,0|0,0,2]=4 6559 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,2,0,0,0,0|0,0,2]=4 6560 B9R0.5 CCCC#CC(=O)CC#N 1458a_200011218047_100011214920 [0,2,0,0,0,0|0,0,2]=4 6561 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|0,0,2]=4 6562 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,2,0,0,0,0|0,0,2]=4 6563 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,2,0,0,0,0|0,0,2]=4 6564 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,2,0,0,0,0|0,0,2]=4 6565 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,2,0,0,0,0|0,0,2]=4 6566 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|1,0,1]=4 6567 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|1,0,1]=4 6568 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|1,0,0]=3 6569 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|1,0,0]=3 6570 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|1,0,0]=3 6571 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|1,0,0]=3 6572 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|1,0,0]=3 6573 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|1,0,0]=3 6574 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|1,0,0]=3 6575 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|1,0,0]=3 6576 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|1,0,0]=3 6577 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|1,0,0]=3 6578 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|2,0,0]=4 6579 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|2,0,0]=4 6580 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|2,0,0]=4 6581 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|2,0,0]=4 6582 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|2,0,0]=4 6583 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|2,0,0]=4 6584 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|2,0,0]=4 6585 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|2,0,0]=4 6586 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|2,0,0]=4 6587 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|2,0,0]=4 6588 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 6589 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 6590 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 6591 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 6592 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 6593 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 6594 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 6595 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 6596 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|2,0,0]=4 6597 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 6598 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 6599 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 6600 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|2,0,0]=4 6601 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|2,0,0]=4 6602 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|2,0,0]=4 6603 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|2,0,0]=4 6604 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,2,0,0,0,0|0,0,2]=4 6605 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|0,0,2]=4 6606 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|0,0,2]=4 6607 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|0,0,2]=4 6608 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|0,0,2]=4 6609 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|0,0,2]=4 6610 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|0,0,2]=4 6611 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,2,0,0,0,0|0,0,1]=3 6612 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,2,0,0,0,0|0,0,1]=3 6613 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,2,0,0,0,0|0,0,1]=3 6614 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,2,0,0,0,0|0,0,0]=2 6615 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,2,0,0,0,0|0,0,0]=2 6616 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|0,0,0]=2 6617 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|0,0,0]=2 6618 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|0,0,0]=2 6619 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|0,0,0]=2 6620 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|0,0,0]=2 6621 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|0,0,0]=2 6622 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|0,0,0]=2 6623 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|0,0,0]=2 6624 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|0,0,0]=2 6625 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|0,0,0]=2 6626 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|0,0,0]=2 6627 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|0,0,0]=2 6628 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|0,0,0]=2 6629 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|0,0,0]=2 6630 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|0,0,0]=2 6631 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|0,0,0]=2 6632 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|0,0,0]=2 6633 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|0,0,0]=2 6634 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,2,0,0,0,0|0,0,0]=2 6635 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,2,0,0,0,0|1,0,1]=4 6636 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,2,0,0,0,0|1,0,1]=4 6637 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,2,0,0,0,0|1,0,1]=4 6638 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|0,0,2]=4 6639 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|0,0,2]=4 6640 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|0,0,2]=4 6641 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,2,0,0,0,0|0,0,2]=4 6642 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,2,0,0,0,0|0,0,2]=4 6643 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,2,0,0,0,0|0,1,1]=4 6644 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,2,0,0,0,0|0,1,1]=4 6645 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,2,0,0,0,0|0,1,1]=4 6646 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,2,0,0,0,0|0,1,1]=4 6647 B9R0.5 CCCCCN(C)CC#N 2230a_100000223495_100011215382 [0,2,0,0,0,0|2,0,0]=4 6648 B9R0.5 CCCCCN(C)CC#N 2230a_100000748184_100000210326 [0,2,0,0,0,0|2,0,0]=4 6649 B9R0.5 CCCCCN(C)CC#N 269982a_100000223495_100011214920 [0,2,0,0,0,0|2,0,0]=4 6650 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,2,0,0,0,0|1,0,0]=3 6651 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,2,0,0,0,0|1,0,0]=3 6652 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,2,0,0,0,0|2,0,0]=4 6653 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,2,0,0,0,0|2,0,0]=4 6654 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6655 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,2,0,0,0,0|2,0,0]=4 6656 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,2,0,0,0,0|2,0,0]=4 6657 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6658 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,2,0,0,0,0|2,0,0]=4 6659 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,2,0,0,0,0|2,0,0]=4 6660 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,2,0,0,0,0|1,0,1]=4 6661 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,2,0,0,0,0|1,0,1]=4 6662 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,2,0,0,0,0|1,0,1]=4 6663 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,2,0,0,0,0|1,0,1]=4 6664 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,2,0,0,0,0|1,0,1]=4 6665 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,2,0,0,0,0|1,0,1]=4 6666 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,2,0,0,0,0|1,0,1]=4 6667 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,2,0,0,0,0|1,0,1]=4 6668 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,2,0,0,0,0|1,1,0]=4 6669 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,2,0,0,0,0|1,1,0]=4 6670 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6671 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6672 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,2,0,0,0,0|1,0,1]=4 6673 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,2,0,0,0,0|1,0,1]=4 6674 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,2,0,0,0,0|1,0,1]=4 6675 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,2,0,0,0,0|1,0,1]=4 6676 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,2,0,0,0,0|1,0,1]=4 6677 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,2,0,0,0,0|1,0,1]=4 6678 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,2,0,0,0,0|1,0,1]=4 6679 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,2,0,0,0,0|1,0,1]=4 6680 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,2,0,0,0,0|1,0,0]=3 6681 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,2,0,0,0,0|1,0,0]=3 6682 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 6683 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 6684 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 6685 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|1,0,0]=3 6686 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|1,0,0]=3 6687 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|1,0,0]=3 6688 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|1,0,0]=3 6689 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|1,0,0]=3 6690 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 6691 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 6692 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 6693 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|1,0,0]=3 6694 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|1,0,0]=3 6695 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 6696 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 6697 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 6698 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 6699 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|1,0,0]=3 6700 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|1,0,0]=3 6701 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|1,0,0]=3 6702 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|1,0,0]=3 6703 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 6704 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 6705 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 6706 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 6707 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|1,0,0]=3 6708 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|1,0,0]=3 6709 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,2,0,0,0,0|1,0,0]=3 6710 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,2,0,0,0,0|1,0,0]=3 6711 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,2,0,0,0,0|1,0,0]=3 6712 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 6713 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|1,0,0]=3 6714 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 6715 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|1,0,0]=3 6716 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|1,0,0]=3 6717 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|1,0,0]=3 6718 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|1,0,0]=3 6719 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|1,0,0]=3 6720 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|1,0,0]=3 6721 B9R0.5 CCCNNC(=O)CC#N 22a_100000740057_100051588842 [0,2,0,0,0,0|2,0,0]=4 6722 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|2,0,0]=4 6723 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,2,0,0,0,0|2,0,0]=4 6724 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|2,0,0]=4 6725 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,2,0,0,0,0|2,0,0]=4 6726 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 6727 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,2,0,0,0,0|2,0,0]=4 6728 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 6729 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,2,0,0,0,0|2,0,0]=4 6730 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,2,0,0,0,0|2,0,0]=4 6731 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|1,0,0]=3 6732 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|1,0,0]=3 6733 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|1,0,0]=3 6734 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|1,0,0]=3 6735 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 6736 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 6737 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|1,0,0]=3 6738 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|1,0,0]=3 6739 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|1,0,0]=3 6740 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|1,0,0]=3 6741 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|1,0,0]=3 6742 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,2,0,0,0,0|1,0,0]=3 6743 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|1,0,0]=3 6744 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|1,0,0]=3 6745 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|1,0,0]=3 6746 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|1,0,0]=3 6747 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|1,0,0]=3 6748 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 6749 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 6750 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 6751 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|1,0,0]=3 6752 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|1,0,0]=3 6753 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|1,0,0]=3 6754 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|1,0,0]=3 6755 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,2,0,0,0,0|1,0,0]=3 6756 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|1,0,0]=3 6757 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|1,0,0]=3 6758 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|1,0,1]=4 6759 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|1,0,1]=4 6760 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|1,0,1]=4 6761 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 6762 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 6763 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,0,0]=3 6764 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 6765 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 6766 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 6767 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|2,0,0]=4 6768 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 6769 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 6770 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,0,0]=3 6771 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 6772 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 6773 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 6774 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|1,0,0]=3 6775 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|1,0,0]=3 6776 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|2,0,0]=4 6777 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|2,0,0]=4 6778 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|2,0,0]=4 6779 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|2,0,0]=4 6780 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|2,0,0]=4 6781 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|2,0,0]=4 6782 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|2,0,0]=4 6783 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|2,0,0]=4 6784 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|2,0,0]=4 6785 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 6786 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|2,0,0]=4 6787 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|2,0,0]=4 6788 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|2,0,0]=4 6789 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|2,0,0]=4 6790 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|2,0,0]=4 6791 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 6792 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|2,0,0]=4 6793 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|2,0,0]=4 6794 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|2,0,0]=4 6795 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|2,0,0]=4 6796 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 6797 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 6798 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 6799 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 6800 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 6801 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 6802 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 6803 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|2,0,0]=4 6804 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 6805 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 6806 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 6807 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|2,0,0]=4 6808 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|2,0,0]=4 6809 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|2,0,0]=4 6810 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|2,0,0]=4 6811 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|2,0,0]=4 6812 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|2,0,0]=4 6813 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|2,0,0]=4 6814 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|2,0,0]=4 6815 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|1,0,0]=3 6816 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|1,0,0]=3 6817 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|1,0,0]=3 6818 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|1,0,0]=3 6819 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|1,0,0]=3 6820 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|1,0,0]=3 6821 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|1,0,0]=3 6822 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|1,0,0]=3 6823 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|1,0,0]=3 6824 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|1,0,0]=3 6825 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|1,0,0]=3 6826 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|1,0,0]=3 6827 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|1,0,0]=3 6828 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|1,0,0]=3 6829 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|1,0,0]=3 6830 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|2,0,0]=4 6831 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|2,0,0]=4 6832 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|2,0,0]=4 6833 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|2,0,0]=4 6834 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|2,0,0]=4 6835 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 6836 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|2,0,0]=4 6837 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|2,0,0]=4 6838 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|2,0,0]=4 6839 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|2,0,0]=4 6840 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 6841 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|2,0,0]=4 6842 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|2,0,0]=4 6843 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|2,0,0]=4 6844 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|2,0,0]=4 6845 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|2,0,0]=4 6846 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|2,0,0]=4 6847 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|2,0,0]=4 6848 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|2,0,0]=4 6849 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|2,0,0]=4 6850 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|2,0,0]=4 6851 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,2,0,0,0,0|1,0,1]=4 6852 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,2,0,0,0,0|1,0,1]=4 6853 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,2,0,0,0,0|1,0,1]=4 6854 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,2,0,0,0,0|1,0,0]=3 6855 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,2,0,0,0,0|1,0,0]=3 6856 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|1,0,0]=3 6857 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|1,0,0]=3 6858 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|1,0,0]=3 6859 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|1,0,0]=3 6860 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|1,0,0]=3 6861 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|1,0,0]=3 6862 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|1,0,0]=3 6863 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,2,0,0,0,0|1,0,1]=4 6864 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,2,0,0,0,0|1,0,1]=4 6865 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,2,0,0,0,0|1,0,1]=4 6866 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,2,0,0,0,0|1,0,0]=3 6867 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,2,0,0,0,0|1,0,0]=3 6868 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|1,0,0]=3 6869 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|1,0,0]=3 6870 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|1,0,0]=3 6871 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|1,0,0]=3 6872 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|1,0,0]=3 6873 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|1,0,0]=3 6874 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,2,0,0,0,0|2,0,0]=4 6875 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,2,0,0,0,0|2,0,0]=4 6876 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|2,0,0]=4 6877 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 6878 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|2,0,0]=4 6879 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 6880 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|2,0,0]=4 6881 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|2,0,0]=4 6882 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|2,0,0]=4 6883 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,2,0,0,0,0|1,0,1]=4 6884 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,2,0,0,0,0|1,0,0]=3 6885 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|1,0,0]=3 6886 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 6887 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,2,0,0,0,0|2,0,0]=4 6888 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,2,0,0,0,0|2,0,0]=4 6889 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 6890 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 6891 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,2,0,0,0,0|2,0,0]=4 6892 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 6893 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|2,0,0]=4 6894 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 6895 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|1,0,1]=4 6896 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|1,0,0]=3 6897 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|1,0,0]=3 6898 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 6899 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 6900 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 6901 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 6902 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 6903 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|2,0,0]=4 6904 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 6905 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 6906 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 6907 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|2,0,0]=4 6908 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,2,0,0,0,0|1,0,1]=4 6909 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,2,0,0,0,0|1,0,1]=4 6910 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,2,0,0,0,0|1,0,1]=4 6911 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,2,0,0,0,0|1,0,0]=3 6912 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,2,0,0,0,0|1,0,0]=3 6913 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,2,0,0,0,0|1,0,0]=3 6914 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|1,0,0]=3 6915 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|1,0,0]=3 6916 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|1,0,0]=3 6917 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|1,0,0]=3 6918 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [0,2,0,0,0,0|2,0,0]=4 6919 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [0,2,0,0,0,0|2,0,0]=4 6920 B9R0.5 COCCNC(=O)CC#N 1626a_100000209980_100051588842 [0,2,0,0,0,0|2,0,0]=4 6921 B9R0.5 COCCNC(=O)CC#N 240690a_100000209980_100051588842 [0,2,0,0,0,0|2,0,0]=4 6922 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,2,0,0,0,0|2,0,0]=4 6923 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|2,0,0]=4 6924 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 6925 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 6926 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|2,0,0]=4 6927 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|2,0,0]=4 6928 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 6929 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 6930 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|2,0,0]=4 6931 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|2,0,0]=4 6932 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|2,0,0]=4 6933 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|2,0,0]=4 6934 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|2,0,0]=4 6935 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|2,0,0]=4 6936 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|2,0,0]=4 6937 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|2,0,0]=4 6938 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|2,0,0]=4 6939 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|2,0,0]=4 6940 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,2,0,0,0,0|2,0,0]=4 6941 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,2,0,0,0,0|2,0,0]=4 6942 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,2,0,0,0,0|1,0,1]=4 6943 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|1,0,0]=3 6944 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|1,0,0]=3 6945 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 6946 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 6947 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 6948 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,2,0,0,0,0|2,0,0]=4 6949 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|2,0,0]=4 6950 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|2,0,0]=4 6951 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,2,0,0,0,0|1,0,0]=3 6952 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|1,0,0]=3 6953 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|1,0,0]=3 6954 B9R0.5 CSCCNC(=O)CC#N 1626a_100020590264_100051588842 [0,2,0,0,0,0|2,0,0]=4 6955 B9R0.5 CSCCNC(=O)CC#N 240690a_100020590264_100051588842 [0,2,0,0,0,0|2,0,0]=4 6956 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|2,0,0]=4 6957 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 6958 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 6959 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 6960 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|2,0,0]=4 6961 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|2,0,0]=4 6962 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|2,0,0]=4 6963 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,2,0,0,0,0|1,0,0]=3 6964 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,2,0,0,0,0|1,0,0]=3 6965 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,2,0,0,0,0|1,0,0]=3 6966 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|2,0,0]=4 6967 B9R0.5 N#CCC(=O)NCCCF 1626a_100015189416_100051588842 [0,2,0,0,0,0|2,0,0]=4 6968 B9R0.5 N#CCC(=O)NCCCF 240690a_100015189416_100051588842 [0,2,0,0,0,0|2,0,0]=4 6969 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,2,0,0,0,0|2,0,0]=4 6970 B9R0.5 N#CCCCC(=O)CC#N 1458a_100000075515_100011214920 [0,2,0,0,0,0|1,0,1]=4 6971 B9R0.5 N#CCCCC(=O)CC#N 1458a_100051588842_100000211468 [0,2,0,0,0,0|1,0,1]=4 6972 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,2,0,0,0,0|1,0,1]=4 6973 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,2,0,0,0,0|1,0,1]=4 6974 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,2,0,0,0,0|1,0,1]=4 6975 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|2,0,0]=4 6976 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,2,0,0,0,0|1,0,1]=4 6977 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,2,0,0,0,0|1,0,1]=4 6978 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,2,0,0,0,0|1,0,1]=4 6979 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,2,0,0,0,0|1,0,1]=4 6980 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,2,0,0,0,0|1,0,1]=4 6981 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,2,0,0,0,0|1,0,1]=4 6982 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|1,0,0]=3 6983 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|2,0,0]=4 6984 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|1,0,0]=3 6985 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|1,0,0]=3 6986 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|1,0,0]=3 6987 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|2,0,0]=4 6988 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|2,0,0]=4 6989 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|2,0,0]=4 6990 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,2,0,0,0,0|2,0,0]=4 6991 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|2,0,0]=4 6992 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|2,0,0]=4 6993 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 6994 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,2,0,0,0,0|2,0,0]=4 6995 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,2,0,0,0,0|2,0,0]=4 6996 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|2,0,0]=4 6997 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 6998 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,2,0,0,0,0|0,0,1]=3 6999 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|1,0,1]=4 7000 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,2,0,0,0,0|2,0,0]=4 7001 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|1,0,1]=4 7002 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,0,1]=4 7003 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,0,1]=4 7004 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,2,0,0,0,0|0,0,1]=3 7005 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,2,0,0,0,0|1,0,1]=4 7006 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,2,0,0,0,0|1,0,1]=4 7007 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|2,0,0]=4 7008 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,2,0,0,0,0|2,0,0]=4 7009 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,2,0,0,0,0|2,0,0]=4 7010 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|2,0,0]=4 7011 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|2,0,0]=4 7012 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|2,0,0]=4 7013 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|2,0,0]=4 7014 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,2,0,0,0,0|2,0,0]=4 7015 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,2,0,0,0,0|2,0,0]=4 7016 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|1,0,0]=3 7017 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 7018 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 7019 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 7020 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 7021 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 7022 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 7023 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 7024 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 7025 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 7026 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 7027 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|0,0,2]=4 7028 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|0,0,2]=4 7029 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|0,0,2]=4 7030 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|0,0,2]=4 7031 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|0,0,2]=4 7032 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|0,0,1]=3 7033 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|0,0,0]=2 7034 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|0,0,0]=2 7035 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|0,0,0]=2 7036 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|0,0,0]=2 7037 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|0,0,0]=2 7038 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|0,0,0]=2 7039 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|0,0,0]=2 7040 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|0,0,0]=2 7041 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,2,0,0,0,0|2,0,0]=4 7042 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,2,0,0,0,0|2,0,0]=4 7043 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|0,0,0]=2 7044 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|0,0,0]=2 7045 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|0,0,0]=2 7046 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|0,0,0]=2 7047 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 7048 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 7049 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 7050 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|1,0,0]=3 7051 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|1,0,0]=3 7052 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|1,0,0]=3 7053 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,2,0,0,0,0|1,0,0]=3 7054 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,2,0,0,0,0|1,0,0]=3 7055 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|1,0,1]=4 7056 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|1,0,1]=4 7057 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 7058 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 7059 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 7060 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 7061 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|1,0,1]=4 7062 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|1,0,1]=4 7063 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 7064 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 7065 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 7066 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,1]=4 7067 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 7068 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|1,0,0]=3 7069 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|1,0,0]=3 7070 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,2,0,0,0,0|2,0,0]=4 7071 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,0]=3 7072 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,0]=3 7073 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|1,0,0]=3 7074 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|1,0,0]=3 7075 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|1,0,0]=3 7076 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|1,0,0]=3 7077 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|1,0,0]=3 7078 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|1,0,0]=3 7079 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|1,0,0]=3 7080 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|1,0,0]=3 7081 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|1,0,0]=3 7082 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 7083 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|1,0,0]=3 7084 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,1]=4 7085 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|1,0,0]=3 7086 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|1,0,0]=3 7087 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|1,0,0]=3 7088 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|1,0,0]=3 7089 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,2,0,0,0,0|2,0,0]=4 7090 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|1,0,0]=3 7091 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,0,1]=4 7092 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,0,1]=4 7093 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|1,0,0]=3 7094 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|1,0,0]=3 7095 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 7096 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 7097 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|1,0,1]=4 7098 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,1]=4 7099 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|1,0,1]=4 7100 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|1,0,1]=4 7101 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,2,0,0,0,0|2,0,0]=4 7102 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,2,0,0,0,0|2,0,0]=4 7103 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,2,0,0,0,0|2,0,0]=4 7104 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,2,0,0,0,0|2,0,0]=4 7105 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 7106 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,2,0,0,0,0|2,0,0]=4 7107 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,2,0,0,0,0|2,0,0]=4 7108 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,2,0,0,0,0|2,0,0]=4 7109 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,2,0,0,0,0|2,0,0]=4 7110 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 7111 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,2,0,0,0,0|2,0,0]=4 7112 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,2,0,0,0,0|2,0,0]=4 7113 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,2,0,0,0,0|2,0,0]=4 7114 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,2,0,0,0,0|2,0,0]=4 7115 B9R0.8 CNC(=O)C(F)NCCF 34a_100000724931_100009813575 [0,2,0,0,0,0|2,0,0]=4 7116 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,2,0,0,0,0|2,0,0]=4 7117 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,2,0,0,0,0|2,0,0]=4 7118 B9R0.8 CNC(=O)C(F)OCCBr 34a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 7119 B9R0.8 CNC(=O)C(F)OCCN 34a_100000210304_100009813575 [0,2,0,0,0,0|2,0,0]=4 7120 B9R0.8 CNC(=O)C(F)SCCF 62a_100009813575_100011217306 [0,2,0,0,0,0|2,0,0]=4 7121 B9R0.8 CNC(=O)C(F)SCCF 62a_100011217306_100009813575 [0,2,0,0,0,0|2,0,0]=4 7122 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 7123 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,2,0,0,0,0|2,0,0]=4 7124 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,2,0,0,0,0|2,0,0]=4 7125 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,2,0,0,0,0|2,0,0]=4 7126 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,2,0,0,0,0|2,0,0]=4 7127 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,2,0,0,0,0|2,0,0]=4 7128 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|1,0,0]=3 7129 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 7130 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 7131 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 7132 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 7133 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 7134 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 7135 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 7136 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,2,0,0,0,0|2,0,0]=4 7137 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 7138 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 7139 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,2,0,0,0,0|2,0,0]=4 7140 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 7141 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,2,0,0,0,0|2,0,0]=4 7142 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 7143 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|1,0,0]=3 7144 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|1,0,0]=3 7145 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|1,0,0]=3 7146 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|1,0,0]=3 7147 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|1,0,0]=3 7148 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|1,0,0]=3 7149 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 7150 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 7151 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|2,0,0]=4 7152 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|2,0,0]=4 7153 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|2,0,0]=4 7154 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|2,0,0]=4 7155 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|2,0,0]=4 7156 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 7157 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 7158 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 7159 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|2,0,0]=4 7160 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|2,0,0]=4 7161 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|2,0,0]=4 7162 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|2,0,0]=4 7163 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|2,0,0]=4 7164 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 7165 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,2,0,0,0,0|2,0,0]=4 7166 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,2,0,0,0,0|2,0,0]=4 7167 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|2,0,0]=4 7168 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|2,0,0]=4 7169 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|1,0,0]=3 7170 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 7171 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 7172 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,2,0,0,0,0|2,0,0]=4 7173 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,2,0,0,0,0|2,0,0]=4 7174 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|1,0,0]=3 7175 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 7176 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 7177 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,2,0,0,0,0|1,0,0]=3 7178 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,2,0,0,0,0|1,0,0]=3 7179 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,2,0,0,0,0|2,0,0]=4 7180 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,2,0,0,0,0|2,0,0]=4 7181 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,2,0,0,0,0|2,0,0]=4 7182 B9R0.20 CCCCNS(=O)(=O)CCl 270084a_100000102301_100000031410 [0,2,0,0,0,0|2,0,0]=4 7183 B9R0.20 CCCCNS(=O)(=O)CCl 274078a_100000102301_100000031410 [0,2,0,0,0,0|2,0,0]=4 7184 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [0,2,0,0,0,0|2,0,0]=4 7185 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [0,2,0,0,0,0|2,0,0]=4 7186 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [0,2,0,0,0,0|2,0,0]=4 7187 B9R0.20 CCNCCS(=O)(=O)NC 2230a_100000710037_100000210202 [0,2,0,0,0,0|2,0,0]=4 7188 B9R0.20 CCNCCS(=O)(=O)NC 34a_100000710037_100000210202 [0,2,0,0,0,0|2,0,0]=4 7189 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [0,2,0,0,0,0|2,0,0]=4 7190 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [0,2,0,0,0,0|2,0,0]=4 7191 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [0,2,0,0,0,0|2,0,0]=4 7192 B9R0.20 CCOCCS(=O)(=O)NC 270084a_100102657272_100000747040 [0,2,0,0,0,0|2,0,0]=4 7193 B9R0.20 CCOCCS(=O)(=O)NC 274078a_100102657272_100000747040 [0,2,0,0,0,0|2,0,0]=4 7194 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,2,0,0,0,0|2,0,0]=4 7195 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,2,0,0,0,0|2,0,0]=4 7196 B9R0.20 CNS(=O)(=O)CCCCCl 270084a_100102657272_100000021705 [0,2,0,0,0,0|2,0,0]=4 7197 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,2,0,0,0,0|1,0,1]=4 7198 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,2,0,0,0,0|1,0,1]=4 7199 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,2,0,0,0,0|1,0,1]=4 7200 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 7201 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|2,0,0]=4 7202 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|0,0,1]=3 7203 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|0,0,1]=3 7204 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|0,0,0]=2 7205 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,2,0,0,0,0|1,0,0]=3 7206 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,2,0,0,0,0|1,0,0]=3 7207 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,2,0,0,0,0|1,0,1]=4 7208 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,2,0,0,0,0|1,0,1]=4 7209 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|1,0,0]=3 7210 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|1,0,0]=3 7211 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,2,0,0,0,0|2,0,0]=4 7212 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|2,0,0]=4 7213 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|1,0,0]=3 7214 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|1,0,0]=3 7215 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|2,0,0]=4 7216 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|2,0,0]=4 7217 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|2,0,0]=4 7218 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|2,0,0]=4 7219 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|2,0,0]=4 7220 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,2,0,0,0,0|1,0,1]=4 7221 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 7222 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,0|1,0,1]=4 7223 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 7224 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 7225 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 7226 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,0|1,0,1]=4 7227 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,0|1,0,1]=4 7228 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|1,0,1]=4 7229 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 7230 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 7231 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 7232 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 7233 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 7234 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 7235 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|1,0,0]=3 7236 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|1,0,0]=3 7237 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|1,0,0]=3 7238 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 7239 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 7240 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 7241 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|2,0,0]=4 7242 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 7243 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 7244 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 7245 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 7246 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,2,0,0,0,0|2,0,0]=4 7247 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,2,0,0,0,0|0,0,0]=2 7248 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|0,0,0]=2 7249 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|0,0,0]=2 7250 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|0,0,0]=2 7251 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|0,0,0]=2 7252 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,2,0,0,0,0|0,0,2]=4 7253 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,2,0,0,0,0|0,0,2]=4 7254 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 7255 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 7256 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,2,0,0,0,0|1,0,0]=3 7257 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 7258 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 7259 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 7260 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 7261 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,2,0,0,0,0|1,0,0]=3 7262 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,2,0,0,0,0|1,0,0]=3 7263 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,2,0,0,0,0|1,0,0]=3 7264 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,0]=3 7265 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,2,0,0,0,0|2,0,0]=4 7266 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,2,0,0,0,0|2,0,0]=4 7267 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,2,0,0,0,0|2,0,0]=4 7268 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,2,0,0,0,0|2,0,0]=4 7269 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,2,0,0,0,0|1,0,0]=3 7270 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,2,0,0,0,0|1,0,0]=3 7271 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,0]=3 7272 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,2,0,0,0,0|1,0,0]=3 7273 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,2,0,0,0,0|1,0,0]=3 7274 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,0]=3 7275 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,0]=3 7276 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|0,0,0]=2 7277 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|0,0,0]=2 7278 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|1,0,0]=3 7279 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|1,0,0]=3 7280 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,2,0,0,0,0|1,0,0]=3 7281 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,2,0,0,0,0|1,0,0]=3 7282 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,2,0,0,0,0|1,0,0]=3 7283 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,2,0,0,0,0|1,0,0]=3 7284 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,2,0,0,0,0|1,0,0]=3 7285 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,2,0,0,0,0|1,0,0]=3 7286 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,2,0,0,0,0|1,0,0]=3 7287 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,2,0,0,0,0|1,0,0]=3 7288 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,2,0,0,0,0|1,0,0]=3 7289 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,2,0,0,0,0|1,0,0]=3 7290 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 7291 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 7292 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|1,0,0]=3 7293 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|1,0,0]=3 7294 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|1,0,0]=3 7295 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 7296 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|1,0,0]=3 7297 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,2,0,0,0,0|1,0,0]=3 7298 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,2,0,0,0,0|1,0,0]=3 7299 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 7300 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 7301 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,2,0,0,0,0|1,0,0]=3 7302 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,2,0,0,0,0|1,0,1]=4 7303 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,2,0,0,0,0|1,0,1]=4 7304 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 7305 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 7306 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,2,0,0,0,0|1,0,1]=4 7307 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|1,0,1]=4 7308 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 7309 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 7310 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 7311 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,2,0,0,0,0|2,0,0]=4 7312 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,2,0,0,0,0|2,0,0]=4 7313 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 7314 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 7315 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 7316 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 7317 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7318 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 7319 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,2,0,0,0,0|2,0,0]=4 7320 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,2,0,0,0,0|2,0,0]=4 7321 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,2,0,0,0,0|2,0,0]=4 7322 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 7323 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 7324 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 7325 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 7326 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 7327 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|2,0,0]=4 7328 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,2,0,0,0,0|2,0,0]=4 7329 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 7330 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 7331 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,2,0,0,0,0|2,0,0]=4 7332 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,2,0,0,0,0|2,0,0]=4 7333 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,2,0,0,0,0|2,0,0]=4 7334 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 7335 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 7336 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 7337 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 7338 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,2,0,0,0,0|2,0,0]=4 7339 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 7340 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|2,0,0]=4 7341 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 7342 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|1,0,1]=4 7343 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|2,0,0]=4 7344 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|2,0,0]=4 7345 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 7346 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 7347 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|2,0,0]=4 7348 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|2,0,0]=4 7349 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|2,0,0]=4 7350 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|2,0,0]=4 7351 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|2,0,0]=4 7352 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|2,0,0]=4 7353 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,2,0,0,0,0|2,0,0]=4 7354 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,2,0,0,0,0|2,0,0]=4 7355 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 7356 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 7357 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 7358 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 7359 B9R0.46 C#C/C(=C\COCCC)/C 34a_100016990848_100000210303 [0,2,0,0,0,0|1,0,1]=4 7360 B9R0.46 C#CC(=NNCCCC)C 4a_100025702795_100000690481 [0,2,0,0,0,0|2,0,0]=4 7361 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,2,0,0,0,0|0,0,2]=4 7362 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,2,0,0,0,0|0,0,2]=4 7363 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,2,0,0,0,0|0,0,2]=4 7364 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,2,0,0,0,0|0,0,1]=3 7365 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,2,0,0,0,0|0,0,1]=3 7366 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,2,0,0,0,0|0,0,1]=3 7367 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,2,0,0,0,0|0,0,1]=3 7368 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,2,0,0,0,0|0,0,1]=3 7369 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,2,0,0,0,0|0,0,1]=3 7370 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,2,0,0,0,0|1,0,1]=4 7371 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,2,0,0,0,0|0,0,1]=3 7372 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,2,0,0,0,0|1,0,1]=4 7373 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,2,0,0,0,0|1,0,1]=4 7374 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,2,0,0,0,0|1,0,1]=4 7375 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,2,0,0,0,0|1,0,1]=4 7376 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,2,0,0,0,0|0,0,2]=4 7377 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,2,0,0,0,0|0,0,2]=4 7378 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,2,0,0,0,0|0,0,1]=3 7379 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,2,0,0,0,0|0,0,1]=3 7380 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,2,0,0,0,0|0,0,1]=3 7381 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,2,0,0,0,0|0,0,1]=3 7382 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,2,0,0,0,0|0,0,1]=3 7383 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,2,0,0,0,0|0,0,1]=3 7384 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,2,0,0,0,0|0,0,1]=3 7385 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,2,0,0,0,0|0,0,1]=3 7386 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,2,0,0,0,0|0,0,2]=4 7387 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,2,0,0,0,0|0,0,2]=4 7388 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,2,0,0,0,0|0,0,2]=4 7389 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,2,0,0,0,0|0,0,2]=4 7390 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,2,0,0,0,0|0,0,2]=4 7391 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,2,0,0,0,0|0,0,2]=4 7392 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,2,0,0,0,0|0,0,2]=4 7393 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,2,0,0,0,0|0,0,2]=4 7394 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,2,0,0,0,0|0,0,2]=4 7395 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,2,0,0,0,0|0,0,2]=4 7396 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,2,0,0,0,0|0,0,2]=4 7397 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,2,0,0,0,0|0,0,2]=4 7398 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,2,0,0,0,0|0,0,2]=4 7399 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,2,0,0,0,0|0,0,2]=4 7400 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,2,0,0,0,0|0,0,2]=4 7401 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,2,0,0,0,0|0,0,2]=4 7402 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,2,0,0,0,0|0,0,2]=4 7403 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,2,0,0,0,0|0,0,2]=4 7404 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,2,0,0,0,0|0,0,2]=4 7405 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,2,0,0,0,0|0,0,2]=4 7406 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,2,0,0,0,0|0,0,2]=4 7407 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,2,0,0,0,0|0,0,2]=4 7408 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,2,0,0,0,0|0,0,2]=4 7409 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,2,0,0,0,0|0,0,2]=4 7410 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,2,0,0,0,0|0,0,2]=4 7411 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,2,0,0,0,0|0,0,2]=4 7412 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,2,0,0,0,0|0,0,2]=4 7413 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,2,0,0,0,0|0,0,2]=4 7414 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,2,0,0,0,0|0,0,2]=4 7415 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,2,0,0,0,0|0,0,2]=4 7416 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,2,0,0,0,0|0,0,2]=4 7417 B9R0.46 C#CCOCCC(=O)CF 1458a_100000693358_100015361967 [0,2,0,0,0,0|0,0,2]=4 7418 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,2,0,0,0,0|0,0,2]=4 7419 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,2,0,0,0,0|0,0,2]=4 7420 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,2,0,0,0,0|0,0,2]=4 7421 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,2,0,0,0,0|0,0,2]=4 7422 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,2,0,0,0,0|0,0,2]=4 7423 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,2,0,0,0,0|0,0,2]=4 7424 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,2,0,0,0,0|0,0,2]=4 7425 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,2,0,0,0,0|0,0,2]=4 7426 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,2,0,0,0,0|0,0,2]=4 7427 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,2,0,0,0,0|0,0,2]=4 7428 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,2,0,0,0,0|1,0,1]=4 7429 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,2,0,0,0,0|1,0,1]=4 7430 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,2,0,0,0,0|0,0,2]=4 7431 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,2,0,0,0,0|0,0,2]=4 7432 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,2,0,0,0,0|0,0,2]=4 7433 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,2,0,0,0,0|0,0,2]=4 7434 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,2,0,0,0,0|0,0,2]=4 7435 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,2,0,0,0,0|0,0,2]=4 7436 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,2,0,0,0,0|0,0,2]=4 7437 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,2,0,0,0,0|0,0,2]=4 7438 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,2,0,0,0,0|0,0,2]=4 7439 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,2,0,0,0,0|0,0,2]=4 7440 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,2,0,0,0,0|1,0,1]=4 7441 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,2,0,0,0,0|1,0,1]=4 7442 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,2,0,0,0,0|1,0,1]=4 7443 B9R0.46 C=CC(=NNCCCC)C 4a_100025702795_200015361842 [0,2,0,0,0,0|2,0,0]=4 7444 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,2,0,0,0,0|0,0,2]=4 7445 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,2,0,0,0,0|0,0,2]=4 7446 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,2,0,0,0,0|0,0,1]=3 7447 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,2,0,0,0,0|0,0,1]=3 7448 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,2,0,0,0,0|0,0,1]=3 7449 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,2,0,0,0,0|0,0,1]=3 7450 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,2,0,0,0,0|0,0,1]=3 7451 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,2,0,0,0,0|0,0,1]=3 7452 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,2,0,0,0,0|1,0,1]=4 7453 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,2,0,0,0,0|0,0,1]=3 7454 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,2,0,0,0,0|0,0,1]=3 7455 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,2,0,0,0,0|0,0,1]=3 7456 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,2,0,0,0,0|1,0,1]=4 7457 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,2,0,0,0,0|1,0,1]=4 7458 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,2,0,0,0,0|1,0,1]=4 7459 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,2,0,0,0,0|1,0,1]=4 7460 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,2,0,0,0,0|1,0,1]=4 7461 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,2,0,0,0,0|1,0,1]=4 7462 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,2,0,0,0,0|1,0,1]=4 7463 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,2,0,0,0,0|1,0,1]=4 7464 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,2,0,0,0,0|1,0,1]=4 7465 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,2,0,0,0,0|1,0,1]=4 7466 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,2,0,0,0,0|1,0,1]=4 7467 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,2,0,0,0,0|1,0,1]=4 7468 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,2,0,0,0,0|1,0,1]=4 7469 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,2,0,0,0,0|1,0,1]=4 7470 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,2,0,0,0,0|1,0,1]=4 7471 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,2,0,0,0,0|1,0,1]=4 7472 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,2,0,0,0,0|1,0,1]=4 7473 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,2,0,0,0,0|1,0,1]=4 7474 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,2,0,0,0,0|1,0,1]=4 7475 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,2,0,0,0,0|1,0,1]=4 7476 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,2,0,0,0,0|0,0,2]=4 7477 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|0,0,1]=3 7478 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|0,0,1]=3 7479 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,2,0,0,0,0|0,0,1]=3 7480 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,2,0,0,0,0|0,0,1]=3 7481 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,2,0,0,0,0|0,0,1]=3 7482 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,2,0,0,0,0|0,0,1]=3 7483 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,2,0,0,0,0|0,0,1]=3 7484 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,2,0,0,0,0|0,0,1]=3 7485 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,2,0,0,0,0|0,0,2]=4 7486 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,2,0,0,0,0|0,0,2]=4 7487 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,2,0,0,0,0|0,0,2]=4 7488 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,2,0,0,0,0|0,0,2]=4 7489 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,2,0,0,0,0|0,0,2]=4 7490 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,2,0,0,0,0|0,0,2]=4 7491 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,2,0,0,0,0|0,0,2]=4 7492 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,2,0,0,0,0|0,0,2]=4 7493 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,2,0,0,0,0|0,0,2]=4 7494 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,2,0,0,0,0|0,0,2]=4 7495 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,2,0,0,0,0|0,0,2]=4 7496 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,2,0,0,0,0|0,0,2]=4 7497 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,2,0,0,0,0|0,0,2]=4 7498 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,2,0,0,0,0|0,0,2]=4 7499 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,2,0,0,0,0|0,0,2]=4 7500 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,2,0,0,0,0|0,0,2]=4 7501 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,2,0,0,0,0|0,0,2]=4 7502 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,2,0,0,0,0|0,0,2]=4 7503 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,2,0,0,0,0|0,0,2]=4 7504 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,2,0,0,0,0|0,0,2]=4 7505 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,2,0,0,0,0|0,0,2]=4 7506 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,2,0,0,0,0|0,0,2]=4 7507 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,2,0,0,0,0|0,0,2]=4 7508 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|0,0,2]=4 7509 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|0,0,2]=4 7510 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,2,0,0,0,0|0,0,2]=4 7511 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,2,0,0,0,0|0,0,2]=4 7512 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,2,0,0,0,0|0,0,2]=4 7513 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,2,0,0,0,0|0,0,2]=4 7514 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,2,0,0,0,0|0,0,2]=4 7515 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,2,0,0,0,0|0,0,2]=4 7516 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,2,0,0,0,0|0,0,2]=4 7517 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,2,0,0,0,0|0,0,2]=4 7518 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,2,0,0,0,0|0,0,2]=4 7519 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,2,0,0,0,0|0,0,2]=4 7520 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,2,0,0,0,0|0,0,2]=4 7521 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,2,0,0,0,0|0,0,2]=4 7522 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,2,0,0,0,0|0,0,2]=4 7523 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,2,0,0,0,0|0,0,2]=4 7524 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,2,0,0,0,0|0,0,2]=4 7525 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|0,0,2]=4 7526 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|0,0,2]=4 7527 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,2,0,0,0,0|0,0,2]=4 7528 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,2,0,0,0,0|0,0,2]=4 7529 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,2,0,0,0,0|0,0,2]=4 7530 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,2,0,0,0,0|0,0,2]=4 7531 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,2,0,0,0,0|0,0,2]=4 7532 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,2,0,0,0,0|0,0,2]=4 7533 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,2,0,0,0,0|0,0,2]=4 7534 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,2,0,0,0,0|0,0,2]=4 7535 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,2,0,0,0,0|0,0,2]=4 7536 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,2,0,0,0,0|0,0,2]=4 7537 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,2,0,0,0,0|0,0,2]=4 7538 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,2,0,0,0,0|0,0,2]=4 7539 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,2,0,0,0,0|0,0,2]=4 7540 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,2,0,0,0,0|0,0,2]=4 7541 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,2,0,0,0,0|0,0,2]=4 7542 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,2,0,0,0,0|0,0,1]=3 7543 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,1]=3 7544 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,2,0,0,0,0|0,0,2]=4 7545 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,2,0,0,0,0|0,0,2]=4 7546 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,2,0,0,0,0|0,0,2]=4 7547 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,2,0,0,0,0|0,0,2]=4 7548 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,2,0,0,0,0|0,0,2]=4 7549 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,2,0,0,0,0|0,0,2]=4 7550 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,2,0,0,0,0|0,0,2]=4 7551 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,2,0,0,0,0|0,0,2]=4 7552 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,2,0,0,0,0|0,0,2]=4 7553 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,2,0,0,0,0|0,0,1]=3 7554 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,2,0,0,0,0|0,0,0]=2 7555 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|0,0,0]=2 7556 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|0,0,0]=2 7557 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|0,0,0]=2 7558 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,2,0,0,0,0|2,0,0]=4 7559 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,2,0,0,0,0|1,0,1]=4 7560 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|1,0,0]=3 7561 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|1,0,0]=3 7562 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|1,0,0]=3 7563 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|1,0,0]=3 7564 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|1,0,0]=3 7565 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|1,0,0]=3 7566 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,2,0,0,0,0|1,0,0]=3 7567 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,2,0,0,0,0|1,0,0]=3 7568 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,2,0,0,0,0|1,0,1]=4 7569 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,2,0,0,0,0|1,0,1]=4 7570 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|1,0,0]=3 7571 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|1,0,0]=3 7572 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|1,0,0]=3 7573 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|1,0,0]=3 7574 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|1,0,0]=3 7575 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|1,0,0]=3 7576 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,2,0,0,0,0|1,0,0]=3 7577 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,2,0,0,0,0|1,0,0]=3 7578 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|1,0,0]=3 7579 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|1,0,0]=3 7580 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 7581 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 7582 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|1,0,0]=3 7583 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7584 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7585 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7586 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,2,0,0,0,0|1,0,0]=3 7587 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,2,0,0,0,0|2,0,0]=4 7588 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 7589 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,2,0,0,0,0|2,0,0]=4 7590 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,2,0,0,0,0|2,0,0]=4 7591 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,2,0,0,0,0|2,0,0]=4 7592 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|0,0,1]=3 7593 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|0,0,1]=3 7594 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|0,0,1]=3 7595 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|0,0,1]=3 7596 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|0,0,1]=3 7597 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|0,0,1]=3 7598 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,2,0,0,0,0|1,0,1]=4 7599 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|0,0,1]=3 7600 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|0,0,1]=3 7601 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|0,0,1]=3 7602 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|0,0,1]=3 7603 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|0,0,1]=3 7604 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|0,0,0]=2 7605 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|0,0,0]=2 7606 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,2,0,0,0,0|0,0,0]=2 7607 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|0,0,0]=2 7608 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,2,0,0,0,0|0,0,0]=2 7609 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,2,0,0,0,0|0,0,0]=2 7610 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,2,0,0,0,0|0,0,0]=2 7611 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,2,0,0,0,0|0,0,0]=2 7612 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,2,0,0,0,0|1,0,1]=4 7613 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,2,0,0,0,0|1,0,1]=4 7614 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,2,0,0,0,0|1,0,1]=4 7615 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,2,0,0,0,0|1,0,1]=4 7616 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,2,0,0,0,0|1,0,1]=4 7617 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,2,0,0,0,0|1,0,1]=4 7618 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,2,0,0,0,0|1,0,1]=4 7619 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,2,0,0,0,0|1,0,1]=4 7620 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,2,0,0,0,0|0,0,2]=4 7621 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,2,0,0,0,0|0,0,2]=4 7622 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,2,0,0,0,0|0,0,2]=4 7623 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,2,0,0,0,0|0,0,2]=4 7624 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,2,0,0,0,0|0,0,2]=4 7625 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,2,0,0,0,0|0,1,1]=4 7626 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,2,0,0,0,0|0,1,1]=4 7627 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,2,0,0,0,0|0,1,1]=4 7628 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,2,0,0,0,0|0,1,1]=4 7629 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,2,0,0,0,0|2,0,0]=4 7630 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,2,0,0,0,0|2,0,0]=4 7631 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,2,0,0,0,0|2,0,0]=4 7632 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,2,0,0,0,0|2,0,0]=4 7633 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,2,0,0,0,0|2,0,0]=4 7634 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 7635 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 7636 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 7637 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,2,0,0,0,0|0,0,0]=2 7638 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,2,0,0,0,0|0,0,0]=2 7639 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,2,0,0,0,0|0,0,0]=2 7640 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,2,0,0,0,0|0,0,0]=2 7641 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,2,0,0,0,0|0,0,0]=2 7642 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,2,0,0,0,0|0,0,0]=2 7643 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,2,0,0,0,0|0,0,0]=2 7644 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,2,0,0,0,0|0,0,0]=2 7645 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,2,0,0,0,0|0,0,0]=2 7646 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,2,0,0,0,0|1,0,1]=4 7647 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,2,0,0,0,0|1,0,1]=4 7648 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,2,0,0,0,0|1,0,1]=4 7649 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,2,0,0,0,0|1,0,1]=4 7650 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,2,0,0,0,0|0,0,2]=4 7651 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,2,0,0,0,0|0,0,2]=4 7652 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,2,0,0,0,0|1,0,1]=4 7653 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,2,0,0,0,0|1,0,1]=4 7654 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,2,0,0,0,0|1,0,1]=4 7655 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,2,0,0,0,0|1,0,1]=4 7656 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,2,0,0,0,0|1,0,1]=4 7657 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,2,0,0,0,0|1,0,1]=4 7658 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,2,0,0,0,0|1,0,1]=4 7659 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,2,0,0,0,0|1,0,1]=4 7660 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,2,0,0,0,0|0,0,2]=4 7661 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,2,0,0,0,0|0,0,2]=4 7662 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,2,0,0,0,0|1,0,1]=4 7663 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,2,0,0,0,0|1,0,1]=4 7664 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,2,0,0,0,0|1,0,1]=4 7665 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,2,0,0,0,0|1,0,1]=4 7666 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,2,0,0,0,0|0,0,2]=4 7667 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,2,0,0,0,0|0,0,2]=4 7668 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,2,0,0,0,0|0,0,2]=4 7669 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,2,0,0,0,0|0,0,2]=4 7670 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,2,0,0,0,0|0,0,2]=4 7671 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|0,0,0]=2 7672 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,2,0,0,0,0|0,0,0]=2 7673 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,2,0,0,0,0|0,0,0]=2 7674 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,2,0,0,0,0|0,0,0]=2 7675 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,2,0,0,0,0|0,0,0]=2 7676 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,2,0,0,0,0|0,0,0]=2 7677 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,2,0,0,0,0|1,0,1]=4 7678 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,2,0,0,0,0|1,0,1]=4 7679 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,2,0,0,0,0|1,0,1]=4 7680 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,2,0,0,0,0|1,0,1]=4 7681 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,2,0,0,0,0|0,0,2]=4 7682 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,2,0,0,0,0|0,0,2]=4 7683 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,2,0,0,0,0|0,0,2]=4 7684 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,2,0,0,0,0|0,0,2]=4 7685 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,2,0,0,0,0|0,0,2]=4 7686 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,2,0,0,0,0|0,0,2]=4 7687 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,2,0,0,0,0|1,0,1]=4 7688 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,2,0,0,0,0|1,0,1]=4 7689 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,2,0,0,0,0|0,0,2]=4 7690 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,2,0,0,0,0|0,0,2]=4 7691 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,2,0,0,0,0|0,0,2]=4 7692 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,2,0,0,0,0|1,0,1]=4 7693 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,2,0,0,0,0|0,0,2]=4 7694 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,2,0,0,0,0|0,0,2]=4 7695 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,2,0,0,0,0|0,0,2]=4 7696 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,2,0,0,0,0|0,0,2]=4 7697 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,2,0,0,0,0|0,0,2]=4 7698 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,2,0,0,0,0|2,0,0]=4 7699 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,2,0,0,0,0|1,0,1]=4 7700 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,2,0,0,0,0|1,0,0]=3 7701 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,2,0,0,0,0|1,0,0]=3 7702 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,2,0,0,0,0|1,0,0]=3 7703 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,2,0,0,0,0|1,0,0]=3 7704 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,2,0,0,0,0|1,0,0]=3 7705 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|0,0,0]=2 7706 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|0,0,0]=2 7707 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|0,0,0]=2 7708 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|0,0,0]=2 7709 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,2,0,0,0,0|0,0,0]=2 7710 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|0,0,0]=2 7711 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,2,0,0,0,0|0,0,0]=2 7712 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,2,0,0,0,0|0,0,0]=2 7713 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,2,0,0,0,0|0,0,0]=2 7714 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,2,0,0,0,0|0,0,0]=2 7715 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,2,0,0,0,0|0,0,0]=2 7716 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,2,0,0,0,0|0,0,0]=2 7717 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,2,0,0,0,0|0,0,0]=2 7718 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,2,0,0,0,0|0,0,0]=2 7719 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,2,0,0,0,0|0,0,0]=2 7720 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,2,0,0,0,0|1,0,1]=4 7721 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,2,0,0,0,0|1,0,1]=4 7722 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,2,0,0,0,0|1,0,1]=4 7723 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,2,0,0,0,0|0,0,2]=4 7724 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,2,0,0,0,0|0,0,2]=4 7725 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,2,0,0,0,0|0,0,2]=4 7726 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,2,0,0,0,0|0,0,2]=4 7727 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,2,0,0,0,0|0,0,2]=4 7728 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,2,0,0,0,0|1,0,1]=4 7729 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,2,0,0,0,0|0,0,2]=4 7730 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,2,0,0,0,0|0,0,2]=4 7731 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,2,0,0,0,0|0,0,2]=4 7732 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,2,0,0,0,0|0,0,2]=4 7733 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,2,0,0,0,0|2,0,0]=4 7734 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,2,0,0,0,0|2,0,0]=4 7735 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,2,0,0,0,0|1,0,1]=4 7736 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,2,0,0,0,0|1,0,1]=4 7737 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,2,0,0,0,0|1,0,1]=4 7738 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,2,0,0,0,0|0,0,2]=4 7739 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,2,0,0,0,0|0,0,2]=4 7740 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,2,0,0,0,0|0,0,2]=4 7741 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,2,0,0,0,0|0,0,2]=4 7742 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,2,0,0,0,0|0,0,2]=4 7743 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,2,0,0,0,0|0,0,2]=4 7744 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,2,0,0,0,0|1,0,1]=4 7745 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|0,0,0]=2 7746 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|0,0,0]=2 7747 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|0,0,0]=2 7748 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,2,0,0,0,0|0,0,0]=2 7749 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|0,0,0]=2 7750 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|0,0,0]=2 7751 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|0,0,0]=2 7752 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|0,0,0]=2 7753 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|0,0,0]=2 7754 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|0,0,0]=2 7755 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|0,0,0]=2 7756 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|0,0,0]=2 7757 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,2,0,0,0,0|1,0,1]=4 7758 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,2,0,0,0,0|1,0,1]=4 7759 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,2,0,0,0,0|0,0,2]=4 7760 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,2,0,0,0,0|0,0,2]=4 7761 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,2,0,0,0,0|0,0,2]=4 7762 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,2,0,0,0,0|0,0,2]=4 7763 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,2,0,0,0,0|1,0,1]=4 7764 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,2,0,0,0,0|1,0,1]=4 7765 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,2,0,0,0,0|0,0,2]=4 7766 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,2,0,0,0,0|0,0,2]=4 7767 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,2,0,0,0,0|0,0,2]=4 7768 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,2,0,0,0,0|0,0,2]=4 7769 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,2,0,0,0,0|0,0,2]=4 7770 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,2,0,0,0,0|0,0,2]=4 7771 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,2,0,0,0,0|0,0,0]=2 7772 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,2,0,0,0,0|0,0,0]=2 7773 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,2,0,0,0,0|1,0,1]=4 7774 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,2,0,0,0,0|0,0,2]=4 7775 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,2,0,0,0,0|0,0,2]=4 7776 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,2,0,0,0,0|1,0,1]=4 7777 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,2,0,0,0,0|1,0,1]=4 7778 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|0,0,0]=2 7779 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|0,0,0]=2 7780 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,2,0,0,0,0|0,0,0]=2 7781 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,2,0,0,0,0|0,0,0]=2 7782 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,2,0,0,0,0|0,0,0]=2 7783 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,2,0,0,0,0|1,0,1]=4 7784 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,2,0,0,0,0|0,0,2]=4 7785 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,2,0,0,0,0|2,0,0]=4 7786 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,2,0,0,0,0|2,0,0]=4 7787 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|0,0,0]=2 7788 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|0,0,0]=2 7789 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|0,0,0]=2 7790 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|0,0,0]=2 7791 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,2,0,0,0,0|1,0,0]=3 7792 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,2,0,0,0,0|2,0,0]=4 7793 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,2,0,0,0,0|2,0,0]=4 7794 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,2,0,0,0,0|2,0,0]=4 7795 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,2,0,0,0,0|2,0,0]=4 7796 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,2,0,0,0,0|2,0,0]=4 7797 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,2,0,0,0,0|2,0,0]=4 7798 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,2,0,0,0,0|2,0,0]=4 7799 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,2,0,0,0,0|2,0,0]=4 7800 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|0,0,2]=4 7801 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,2,0,0,0,0|0,0,0]=2 7802 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,2,0,0,0,0|0,0,0]=2 7803 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,2,0,0,0,0|0,0,0]=2 7804 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,2,0,0,0,0|0,0,0]=2 7805 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,2,0,0,0,0|2,0,0]=4 7806 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,2,0,0,0,0|1,0,0]=3 7807 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,2,0,0,0,0|1,0,0]=3 7808 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,2,0,0,0,0|1,0,1]=4 7809 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|0,0,2]=4 7810 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|0,0,0]=2 7811 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|0,0,0]=2 7812 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,2,0,0,0,0|0,0,0]=2 7813 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,2,0,0,0,0|1,0,0]=3 7814 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,2,0,0,0,0|0,0,0]=2 7815 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,2,0,0,0,0|1,0,1]=4 7816 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,2,0,0,0,0|2,0,0]=4 7817 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,2,0,0,0,0|2,0,0]=4 7818 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,2,0,0,0,0|1,0,1]=4 7819 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,2,0,0,0,0|1,0,0]=3 7820 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,2,0,0,0,0|1,0,0]=3 7821 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,2,0,0,0,0|1,0,0]=3 7822 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,2,0,0,0,0|1,0,0]=3 7823 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,2,0,0,0,0|1,0,0]=3 7824 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,2,0,0,0,0|1,0,0]=3 7825 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|1,0,0]=3 7826 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|1,0,0]=3 7827 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,2,0,0,0,0|1,0,0]=3 7828 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,2,0,0,0,0|1,0,0]=3 7829 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,2,0,0,0,0|1,0,0]=3 7830 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,2,0,0,0,0|1,0,0]=3 7831 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,2,0,0,0,0|1,0,0]=3 7832 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,2,0,0,0,0|1,0,0]=3 7833 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,2,0,0,0,0|1,0,0]=3 7834 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,2,0,0,0,0|1,0,0]=3 7835 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,2,0,0,0,0|1,0,0]=3 7836 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|1,0,0]=3 7837 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,2,0,0,0,0|1,0,0]=3 7838 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,2,0,0,0,0|1,0,0]=3 7839 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,2,0,0,0,0|1,0,0]=3 7840 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,2,0,0,0,0|1,0,0]=3 7841 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,2,0,0,0,0|1,0,0]=3 7842 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,2,0,0,0,0|1,0,0]=3 7843 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|0,0,2]=4 7844 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|0,0,2]=4 7845 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,2,0,0,0,0|0,0,0]=2 7846 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,2,0,0,0,0|0,0,0]=2 7847 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,2,0,0,0,0|0,0,0]=2 7848 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,2,0,0,0,0|0,0,0]=2 7849 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,2,0,0,0,0|2,0,0]=4 7850 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7851 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7852 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7853 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,2,0,0,0,0|1,0,0]=3 7854 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|1,0,0]=3 7855 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|1,0,0]=3 7856 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,2,0,0,0,0|1,0,0]=3 7857 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 7858 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 7859 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,2,0,0,0,0|1,0,0]=3 7860 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,2,0,0,0,0|1,0,0]=3 7861 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,2,0,0,0,0|1,0,0]=3 7862 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,2,0,0,0,0|1,0,0]=3 7863 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,2,0,0,0,0|1,0,0]=3 7864 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,2,0,0,0,0|2,0,0]=4 7865 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,2,0,0,0,0|0,0,0]=2 7866 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,2,0,0,0,0|2,0,0]=4 7867 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,2,0,0,0,0|2,0,0]=4 7868 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,2,0,0,0,0|2,0,0]=4 7869 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,2,0,0,0,0|1,0,0]=3 7870 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,2,0,0,0,0|1,0,0]=3 7871 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,2,0,0,0,0|1,0,0]=3 7872 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,2,0,0,0,0|1,0,1]=4 7873 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,2,0,0,0,0|1,0,1]=4 7874 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,2,0,0,0,0|1,0,1]=4 7875 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,2,0,0,0,0|1,0,0]=3 7876 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,2,0,0,0,0|1,0,0]=3 7877 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,2,0,0,0,0|1,0,0]=3 7878 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 7879 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,2,0,0,0,0|1,0,0]=3 7880 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 7881 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,2,0,0,0,0|1,0,0]=3 7882 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,2,0,0,0,0|1,0,0]=3 7883 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 7884 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,2,0,0,0,0|1,0,0]=3 7885 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,2,0,0,0,0|1,0,1]=4 7886 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,2,0,0,0,0|1,0,0]=3 7887 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,2,0,0,0,0|1,0,0]=3 7888 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,2,0,0,0,0|1,0,0]=3 7889 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 7890 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 7891 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|1,0,0]=3 7892 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,2,0,0,0,0|1,0,0]=3 7893 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,2,0,0,0,0|1,0,1]=4 7894 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,2,0,0,0,0|1,0,1]=4 7895 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,2,0,0,0,0|1,0,1]=4 7896 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,2,0,0,0,0|1,0,1]=4 7897 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,2,0,0,0,0|1,0,0]=3 7898 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,2,0,0,0,0|1,0,0]=3 7899 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|1,0,0]=3 7900 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|1,0,0]=3 7901 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,2,0,0,0,0|1,0,0]=3 7902 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,2,0,0,0,0|1,0,0]=3 7903 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,2,0,0,0,0|1,0,0]=3 7904 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,2,0,0,0,0|1,0,0]=3 7905 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,2,0,0,0,0|1,0,1]=4 7906 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,2,0,0,0,0|1,0,0]=3 7907 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,2,0,0,0,0|1,0,0]=3 7908 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,2,0,0,0,0|1,0,0]=3 7909 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,2,0,0,0,0|1,0,0]=3 7910 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,2,0,0,0,0|1,0,0]=3 7911 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,2,0,0,0,0|1,0,0]=3 7912 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,2,0,0,0,0|1,0,0]=3 7913 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,2,0,0,0,0|1,0,0]=3 7914 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,2,0,0,0,0|1,0,0]=3 7915 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,2,0,0,0,0|1,0,0]=3 7916 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,2,0,0,0,0|1,0,0]=3 7917 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,2,0,0,0,0|1,0,0]=3 7918 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,2,0,0,0,0|1,0,0]=3 7919 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|1,0,0]=3 7920 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,2,0,0,0,0|1,0,0]=3 7921 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 7922 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 7923 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,2,0,0,0,0|1,0,0]=3 7924 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,2,0,0,0,0|1,0,0]=3 7925 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,2,0,0,0,0|1,0,0]=3 7926 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,2,0,0,0,0|2,0,0]=4 7927 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 7928 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,2,0,0,0,0|1,0,0]=3 7929 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,2,0,0,0,0|1,0,0]=3 7930 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,2,0,0,0,0|1,0,1]=4 7931 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,2,0,0,0,0|1,0,1]=4 7932 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,2,0,0,0,0|1,0,0]=3 7933 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,2,0,0,0,0|1,0,0]=3 7934 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,2,0,0,0,0|1,0,0]=3 7935 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,2,0,0,0,0|1,0,0]=3 7936 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,2,0,0,0,0|1,0,0]=3 7937 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,2,0,0,0,0|1,0,0]=3 7938 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,2,0,0,0,0|1,0,0]=3 7939 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,2,0,0,0,0|1,0,0]=3 7940 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,2,0,0,0,0|1,0,0]=3 7941 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 7942 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 7943 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 7944 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 7945 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,2,0,0,0,0|1,0,0]=3 7946 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,2,0,0,0,0|1,0,0]=3 7947 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,2,0,0,0,0|1,0,0]=3 7948 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,2,0,0,0,0|1,0,0]=3 7949 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,2,0,0,0,0|1,0,0]=3 7950 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,2,0,0,0,0|1,0,0]=3 7951 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,2,0,0,0,0|1,0,0]=3 7952 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 7953 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 7954 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,2,0,0,0,0|1,0,0]=3 7955 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,2,0,0,0,0|1,0,0]=3 7956 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,2,0,0,0,0|1,0,0]=3 7957 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,2,0,0,0,0|2,0,0]=4 7958 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,2,0,0,0,0|2,0,0]=4 7959 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,2,0,0,0,0|2,0,0]=4 7960 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,2,0,0,0,0|2,0,0]=4 7961 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,2,0,0,0,0|0,0,0]=2 7962 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,2,0,0,0,0|0,0,0]=2 7963 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,2,0,0,0,0|0,0,0]=2 7964 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,2,0,0,0,0|1,0,0]=3 7965 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,2,0,0,0,0|1,0,0]=3 7966 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,2,0,0,0,0|1,0,0]=3 7967 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|0,0,0]=2 7968 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|0,0,0]=2 7969 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,2,0,0,0,0|0,0,0]=2 7970 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,2,0,0,0,0|0,0,0]=2 7971 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,2,0,0,0,0|0,0,0]=2 7972 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,2,0,0,0,0|0,0,0]=2 7973 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,2,0,0,0,0|1,0,0]=3 7974 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,2,0,0,0,0|1,0,0]=3 7975 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,2,0,0,0,0|1,0,0]=3 7976 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,2,0,0,0,0|1,0,0]=3 7977 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,2,0,0,0,0|1,0,0]=3 7978 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,2,0,0,0,0|1,0,0]=3 7979 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,2,0,0,0,0|1,0,0]=3 7980 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,2,0,0,0,0|1,0,1]=4 7981 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,2,0,0,0,0|1,0,1]=4 7982 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,2,0,0,0,0|1,0,1]=4 7983 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,2,0,0,0,0|1,0,1]=4 7984 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,2,0,0,0,0|1,0,0]=3 7985 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,2,0,0,0,0|1,0,0]=3 7986 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|1,0,0]=3 7987 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|1,0,0]=3 7988 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,2,0,0,0,0|1,0,0]=3 7989 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,2,0,0,0,0|1,0,0]=3 7990 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 7991 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 7992 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,2,0,0,0,0|1,0,0]=3 7993 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,2,0,0,0,0|1,0,0]=3 7994 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,2,0,0,0,0|1,0,0]=3 7995 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,2,0,0,0,0|1,0,0]=3 7996 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,2,0,0,0,0|1,0,0]=3 7997 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,2,0,0,0,0|2,0,0]=4 7998 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,2,0,0,0,0|1,0,0]=3 7999 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,2,0,0,0,0|1,0,0]=3 8000 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,2,0,0,0,0|1,0,0]=3 8001 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,2,0,0,0,0|1,0,0]=3 8002 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,2,0,0,0,0|1,0,0]=3 8003 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,2,0,0,0,0|1,0,0]=3 8004 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,2,0,0,0,0|1,0,1]=4 8005 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,2,0,0,0,0|1,0,1]=4 8006 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,2,0,0,0,0|1,0,0]=3 8007 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,2,0,0,0,0|1,0,0]=3 8008 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|1,0,0]=3 8009 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|1,0,0]=3 8010 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,2,0,0,0,0|1,0,0]=3 8011 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,2,0,0,0,0|1,0,0]=3 8012 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,2,0,0,0,0|2,0,0]=4 8013 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,2,0,0,0,0|2,0,0]=4 8014 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,2,0,0,0,0|2,0,0]=4 8015 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|2,0,0]=4 8016 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,2,0,0,0,0|2,0,0]=4 8017 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|0,0,0]=2 8018 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|0,0,0]=2 8019 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|0,0,0]=2 8020 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|0,0,0]=2 8021 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|1,0,0]=3 8022 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|1,0,0]=3 8023 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,2,0,0,0,0|1,0,0]=3 8024 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,2,0,0,0,0|2,0,0]=4 8025 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,2,0,0,0,0|1,0,0]=3 8026 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|1,0,0]=3 8027 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|1,0,0]=3 8028 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,2,0,0,0,0|1,0,0]=3 8029 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,2,0,0,0,0|1,0,0]=3 8030 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,2,0,0,0,0|1,0,0]=3 8031 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,2,0,0,0,0|1,0,0]=3 8032 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,2,0,0,0,0|2,0,0]=4 8033 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|1,0,0]=3 8034 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|1,0,0]=3 8035 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,2,0,0,0,0|0,0,1]=3 8036 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,2,0,0,0,0|1,0,1]=4 8037 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,2,0,0,0,0|2,0,0]=4 8038 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,2,0,0,0,0|0,0,0]=2 8039 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,2,0,0,0,0|1,0,0]=3 8040 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,2,0,0,0,0|0,0,0]=2 8041 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|0,0,0]=2 8042 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|1,0,0]=3 8043 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|1,0,0]=3 8044 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|1,0,0]=3 8045 B9R0.46 [N-]=[N+]=NCCCC(=O)CF 1458a_100010262590_100015361967 [0,2,0,0,0,0|2,0,0]=4 8046 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,2,0,0,0,0|0,0,2]=4 8047 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,2,0,0,0,0|0,0,2]=4 8048 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,2,0,0,0,0|0,0,2]=4 8049 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,2,0,0,0,0|0,0,2]=4 8050 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,2,0,0,0,0|0,0,2]=4 8051 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,2,0,0,0,0|0,0,2]=4 8052 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,2,0,0,0,0|0,0,2]=4 8053 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,2,0,0,0,0|0,0,2]=4 8054 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,2,0,0,0,0|0,0,2]=4 8055 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,2,0,0,0,0|0,0,2]=4 8056 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,2,0,0,0,0|0,0,2]=4 8057 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [0,2,0,0,0,0|0,0,2]=4 8058 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [0,2,0,0,0,0|0,0,2]=4 8059 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [0,2,0,0,0,0|0,0,2]=4 8060 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [0,2,0,0,0,0|0,0,2]=4 8061 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [0,2,0,0,0,0|0,0,2]=4 8062 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [0,2,0,0,0,0|0,0,2]=4 8063 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [0,2,0,0,0,0|0,0,2]=4 8064 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [0,2,0,0,0,0|0,0,2]=4 8065 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,2,0,0,0,0|1,0,1]=4 8066 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,2,0,0,0,0|1,0,1]=4 8067 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|0,0,2]=4 8068 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,2,0,0,0,0|0,0,2]=4 8069 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,2,0,0,0,0|1,0,1]=4 8070 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|0,0,0]=2 8071 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|1,0,0]=3 8072 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|1,0,0]=3 8073 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,2,0,0,0,0|1,0,0]=3 8074 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|1,0,0]=3 8075 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,2,0,0,0,0|1,0,0]=3 8076 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,2,0,0,0,0|1,0,0]=3 8077 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,2,0,0,0,0|1,0,0]=3 8078 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,2,0,0,0,0|2,0,0]=4 8079 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,2,0,0,0,0|2,0,0]=4 8080 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,2,0,0,0,0|2,0,0]=4 8081 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,2,0,0,0,0|2,0,0]=4 8082 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,2,0,0,0,0|2,0,0]=4 8083 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,2,0,0,0,0|2,0,0]=4 8084 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,2,0,0,0,0|2,0,0]=4 8085 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,2,0,0,0,0|2,0,0]=4 8086 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|2,0,0]=4 8087 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|2,0,0]=4 8088 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|2,0,0]=4 8089 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|2,0,0]=4 8090 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|2,0,0]=4 8091 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|2,0,0]=4 8092 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|2,0,0]=4 8093 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|2,0,0]=4 8094 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,2,0,0,0,0|1,0,0]=3 8095 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,2,0,0,0,0|2,0,0]=4 8096 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,2,0,0,0,0|2,0,0]=4 8097 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,2,0,0,0,0|2,0,0]=4 8098 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,2,0,0,0,0|2,0,0]=4 8099 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,2,0,0,0,0|1,0,1]=4 8100 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,2,0,0,0,0|1,0,1]=4 8101 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,2,0,0,0,0|1,0,1]=4 8102 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,2,0,0,0,0|1,0,1]=4 8103 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,2,0,0,0,0|0,0,2]=4 8104 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|0,0,2]=4 8105 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|0,0,2]=4 8106 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,2,0,0,0,0|0,0,2]=4 8107 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,2,0,0,0,0|0,0,2]=4 8108 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,2,0,0,0,0|0,0,2]=4 8109 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,2,0,0,0,0|0,0,2]=4 8110 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,2,0,0,0,0|0,0,2]=4 8111 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,2,0,0,0,0|0,0,2]=4 8112 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|0,0,2]=4 8113 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|0,0,2]=4 8114 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,2,0,0,0,0|0,0,2]=4 8115 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,2,0,0,0,0|0,0,2]=4 8116 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,2,0,0,0,0|0,0,2]=4 8117 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,2,0,0,0,0|0,0,2]=4 8118 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,2,0,0,0,0|0,0,2]=4 8119 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,2,0,0,0,0|0,0,2]=4 8120 B9R0.47 CC#CCNC(C)C(=O)C 2230a_100000685387_100009814033 [0,2,0,0,0,0|0,0,2]=4 8121 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [0,2,0,0,0,0|0,0,2]=4 8122 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [0,2,0,0,0,0|0,0,2]=4 8123 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [0,2,0,0,0,0|0,0,2]=4 8124 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,2,0,0,0,0|1,0,1]=4 8125 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,2,0,0,0,0|1,0,1]=4 8126 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,2,0,0,0,0|1,0,1]=4 8127 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,2,0,0,0,0|1,0,1]=4 8128 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,2,0,0,0,0|1,0,1]=4 8129 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,2,0,0,0,0|1,0,1]=4 8130 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,2,0,0,0,0|1,0,1]=4 8131 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,2,0,0,0,0|1,0,1]=4 8132 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [0,2,0,0,0,0|1,0,1]=4 8133 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,2,0,0,0,0|1,0,1]=4 8134 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,2,0,0,0,0|1,0,1]=4 8135 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,2,0,0,0,0|1,0,0]=3 8136 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,2,0,0,0,0|1,0,0]=3 8137 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,2,0,0,0,0|1,0,0]=3 8138 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,2,0,0,0,0|1,0,0]=3 8139 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,2,0,0,0,0|1,0,0]=3 8140 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,2,0,0,0,0|1,0,0]=3 8141 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,2,0,0,0,0|1,0,0]=3 8142 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [0,2,0,0,0,0|1,0,1]=4 8143 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [0,2,0,0,0,0|1,0,1]=4 8144 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,2,0,0,0,0|1,0,0]=3 8145 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,2,0,0,0,0|1,0,0]=3 8146 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,2,0,0,0,0|1,0,0]=3 8147 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,2,0,0,0,0|1,0,0]=3 8148 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,2,0,0,0,0|1,0,0]=3 8149 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,2,0,0,0,0|1,0,1]=4 8150 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,2,0,0,0,0|1,0,1]=4 8151 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|1,0,0]=3 8152 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|1,0,0]=3 8153 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|1,0,0]=3 8154 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,2,0,0,0,0|2,0,0]=4 8155 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|2,0,0]=4 8156 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|2,0,0]=4 8157 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|2,0,0]=4 8158 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|2,0,0]=4 8159 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|2,0,0]=4 8160 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,2,0,0,0,0|2,0,0]=4 8161 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,2,0,0,0,0|2,0,0]=4 8162 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|2,0,0]=4 8163 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|2,0,0]=4 8164 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 8165 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 8166 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 8167 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 8168 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 8169 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 8170 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 8171 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 8172 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,2,0,0,0,0|2,0,0]=4 8173 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,2,0,0,0,0|2,0,0]=4 8174 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,2,0,0,0,0|1,0,1]=4 8175 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|1,0,0]=3 8176 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|1,0,0]=3 8177 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 8178 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 8179 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 8180 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 8181 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 8182 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 8183 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,2,0,0,0,0|2,0,0]=4 8184 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,2,0,0,0,0|2,0,0]=4 8185 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,2,0,0,0,0|2,0,0]=4 8186 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,2,0,0,0,0|2,0,0]=4 8187 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,2,0,0,0,0|2,0,0]=4 8188 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,2,0,0,0,0|2,0,0]=4 8189 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,2,0,0,0,0|2,0,0]=4 8190 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,2,0,0,0,0|2,0,0]=4 8191 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,2,0,0,0,0|2,0,0]=4 8192 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,2,0,0,0,0|2,0,0]=4 8193 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|0,0,2]=4 8194 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,2,0,0,0,0|0,0,2]=4 8195 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,2,0,0,0,0|0,0,2]=4 8196 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,2,0,0,0,0|0,0,2]=4 8197 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,2,0,0,0,0|0,0,2]=4 8198 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|0,0,2]=4 8199 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|0,0,2]=4 8200 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,2,0,0,0,0|0,0,2]=4 8201 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,2]=4 8202 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,2]=4 8203 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [0,2,0,0,0,0|0,0,2]=4 8204 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [0,2,0,0,0,0|0,0,2]=4 8205 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [0,2,0,0,0,0|0,0,2]=4 8206 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,2,0,0,0,0|0,0,2]=4 8207 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,2,0,0,0,0|0,0,2]=4 8208 B9R0.47 CCC#CCC(=O)C(O)O 1458a_100000233687_100009813939 [0,2,0,0,0,0|0,0,2]=4 8209 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,2,0,0,0,0|0,0,2]=4 8210 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,2,0,0,0,0|0,0,2]=4 8211 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,2,0,0,0,0|0,0,2]=4 8212 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,2,0,0,0,0|0,0,2]=4 8213 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|0,0,2]=4 8214 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,2,0,0,0,0|0,0,2]=4 8215 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,2,0,0,0,0|0,0,2]=4 8216 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,2,0,0,0,0|0,0,2]=4 8217 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|0,0,0]=2 8218 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|0,0,0]=2 8219 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|0,0,0]=2 8220 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,2,0,0,0,0|0,0,0]=2 8221 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,2,0,0,0,0|0,0,0]=2 8222 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,2,0,0,0,0|0,0,0]=2 8223 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,2,0,0,0,0|0,0,0]=2 8224 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,2,0,0,0,0|0,0,0]=2 8225 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|0,0,0]=2 8226 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|0,0,0]=2 8227 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,2,0,0,0,0|0,0,0]=2 8228 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,2,0,0,0,0|0,0,0]=2 8229 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,2,0,0,0,0|0,0,0]=2 8230 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,2,0,0,0,0|1,0,1]=4 8231 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,2,0,0,0,0|1,0,1]=4 8232 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,2,0,0,0,0|1,0,1]=4 8233 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,2,0,0,0,0|0,0,0]=2 8234 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,2,0,0,0,0|0,0,0]=2 8235 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,2,0,0,0,0|0,0,0]=2 8236 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,2,0,0,0,0|0,0,0]=2 8237 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,2,0,0,0,0|1,0,1]=4 8238 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,2,0,0,0,0|1,0,1]=4 8239 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,2,0,0,0,0|1,0,1]=4 8240 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,2,0,0,0,0|1,0,1]=4 8241 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,2,0,0,0,0|1,0,1]=4 8242 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,2,0,0,0,0|1,0,1]=4 8243 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,2,0,0,0,0|1,0,1]=4 8244 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,2,0,0,0,0|1,0,1]=4 8245 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 8246 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 8247 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 8248 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|1,0,0]=3 8249 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 8250 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 8251 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 8252 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|1,0,0]=3 8253 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 8254 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 8255 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 8256 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,2,0,0,0,0|1,0,0]=3 8257 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,2,0,0,0,0|1,0,0]=3 8258 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,2,0,0,0,0|1,0,0]=3 8259 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|1,0,0]=3 8260 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|1,0,0]=3 8261 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|1,0,0]=3 8262 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,2,0,0,0,0|0,0,0]=2 8263 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,2,0,0,0,0|0,0,0]=2 8264 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,2,0,0,0,0|1,0,0]=3 8265 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,2,0,0,0,0|1,0,0]=3 8266 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,2,0,0,0,0|1,0,1]=4 8267 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,2,0,0,0,0|1,0,0]=3 8268 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,2,0,0,0,0|1,0,0]=3 8269 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|1,0,0]=3 8270 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,2,0,0,0,0|1,0,0]=3 8271 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,2,0,0,0,0|1,0,0]=3 8272 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,2,0,0,0,0|0,0,0]=2 8273 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,2,0,0,0,0|0,0,0]=2 8274 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,2,0,0,0,0|1,0,0]=3 8275 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,2,0,0,0,0|1,0,0]=3 8276 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,2,0,0,0,0|1,0,1]=4 8277 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,2,0,0,0,0|1,0,0]=3 8278 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,2,0,0,0,0|1,0,0]=3 8279 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,2,0,0,0,0|1,0,0]=3 8280 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,2,0,0,0,0|1,0,0]=3 8281 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,2,0,0,0,0|1,0,0]=3 8282 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,2,0,0,0,0|1,0,0]=3 8283 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|0,0,0]=2 8284 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|0,0,0]=2 8285 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|0,0,0]=2 8286 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,2,0,0,0,0|1,0,0]=3 8287 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,2,0,0,0,0|1,0,0]=3 8288 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|0,0,0]=2 8289 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,2,0,0,0,0|1,0,0]=3 8290 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,2,0,0,0,0|1,0,0]=3 8291 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,2,0,0,0,0|1,0,0]=3 8292 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,2,0,0,0,0|1,0,0]=3 8293 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,2,0,0,0,0|1,0,0]=3 8294 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|1,0,0]=3 8295 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|1,0,0]=3 8296 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,2,0,0,0,0|1,0,1]=4 8297 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,2,0,0,0,0|1,0,1]=4 8298 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,2,0,0,0,0|2,0,0]=4 8299 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,2,0,0,0,0|2,0,0]=4 8300 B9R0.47 CCCNNC(=O)C(F)F 22a_100000740057_100000210393 [0,2,0,0,0,0|2,0,0]=4 8301 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,2,0,0,0,0|2,0,0]=4 8302 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,2,0,0,0,0|2,0,0]=4 8303 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,2,0,0,0,0|2,0,0]=4 8304 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|0,0,1]=3 8305 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|1,0,0]=3 8306 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|1,0,0]=3 8307 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 8308 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 8309 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 8310 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|1,0,0]=3 8311 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|1,0,0]=3 8312 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,2,0,0,0,0|0,0,0]=2 8313 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,2,0,0,0,0|0,0,0]=2 8314 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,2,0,0,0,0|1,0,1]=4 8315 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,2,0,0,0,0|1,0,1]=4 8316 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|1,0,0]=3 8317 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|1,0,1]=4 8318 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|0,0,1]=3 8319 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|0,0,1]=3 8320 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|1,0,0]=3 8321 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|1,0,0]=3 8322 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|1,0,0]=3 8323 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 8324 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 8325 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 8326 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,2,0,0,0,0|1,0,0]=3 8327 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,2,0,0,0,0|1,0,0]=3 8328 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,2,0,0,0,0|1,0,0]=3 8329 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,2,0,0,0,0|2,0,0]=4 8330 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,2,0,0,0,0|1,0,0]=3 8331 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,2,0,0,0,0|1,0,0]=3 8332 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,0,0]=3 8333 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,0,0]=3 8334 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|1,0,0]=3 8335 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,2,0,0,0,0|1,0,0]=3 8336 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 8337 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 8338 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 8339 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|1,0,0]=3 8340 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|1,0,0]=3 8341 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|1,0,0]=3 8342 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|1,0,0]=3 8343 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,2,0,0,0,0|2,0,0]=4 8344 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,2,0,0,0,0|1,0,1]=4 8345 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,2,0,0,0,0|2,0,0]=4 8346 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,2,0,0,0,0|1,0,0]=3 8347 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,2,0,0,0,0|1,0,0]=3 8348 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,2,0,0,0,0|2,0,0]=4 8349 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,2,0,0,0,0|2,0,0]=4 8350 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,2,0,0,0,0|2,0,0]=4 8351 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,2,0,0,0,0|2,0,0]=4 8352 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,2,0,0,0,0|2,0,0]=4 8353 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,2,0,0,0,0|2,0,0]=4 8354 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,2,0,0,0,0|1,0,0]=3 8355 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,2,0,0,0,0|1,0,0]=3 8356 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,2,0,0,0,0|1,0,0]=3 8357 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,2,0,0,0,0|1,0,0]=3 8358 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 8359 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 8360 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 8361 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,2,0,0,0,0|1,0,0]=3 8362 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,2,0,0,0,0|1,0,0]=3 8363 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,2,0,0,0,0|1,0,0]=3 8364 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|1,0,0]=3 8365 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|1,0,0]=3 8366 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|2,0,0]=4 8367 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|2,0,0]=4 8368 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 8369 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 8370 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 8371 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,2,0,0,0,0|1,0,1]=4 8372 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|1,0,0]=3 8373 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 8374 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,2,0,0,0,0|1,0,0]=3 8375 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,2,0,0,0,0|1,0,0]=3 8376 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,2,0,0,0,0|2,0,0]=4 8377 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,2,0,0,0,0|2,0,0]=4 8378 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,2,0,0,0,0|2,0,0]=4 8379 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,2,0,0,0,0|2,0,0]=4 8380 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,2,0,0,0,0|2,0,0]=4 8381 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,2,0,0,0,0|2,0,0]=4 8382 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,2,0,0,0,0|2,0,0]=4 8383 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,2,0,0,0,0|2,0,0]=4 8384 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 8385 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,2,0,0,0,0|2,0,0]=4 8386 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 8387 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 8388 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,2,0,0,0,0|2,0,0]=4 8389 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,2,0,0,0,0|2,0,0]=4 8390 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 8391 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,2,0,0,0,0|2,0,0]=4 8392 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,2,0,0,0,0|2,0,0]=4 8393 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,2,0,0,0,0|1,0,0]=3 8394 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 8395 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,2,0,0,0,0|1,0,0]=3 8396 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 8397 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 8398 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|1,0,0]=3 8399 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|1,0,0]=3 8400 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|1,0,0]=3 8401 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,2,0,0,0,0|1,0,0]=3 8402 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 8403 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 8404 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 8405 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,2,0,0,0,0|1,0,0]=3 8406 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|1,0,0]=3 8407 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|1,0,0]=3 8408 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,2,0,0,0,0|1,0,0]=3 8409 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,2,0,0,0,0|1,0,0]=3 8410 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,2,0,0,0,0|1,0,0]=3 8411 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,2,0,0,0,0|1,0,0]=3 8412 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 8413 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 8414 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 8415 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8416 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8417 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 8418 B9R0.47 COCCNC(=O)C(F)F 1626a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 8419 B9R0.47 COCCNC(=O)C(F)F 240690a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 8420 B9R0.47 COCCNC(=O)C(F)F 527a_100000209980_100000210393 [0,2,0,0,0,0|2,0,0]=4 8421 B9R0.47 COCCNC(=O)C(O)O 240690a_100000209980_100000233687 [0,2,0,0,0,0|2,0,0]=4 8422 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|2,0,0]=4 8423 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|2,0,0]=4 8424 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|2,0,0]=4 8425 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,2,0,0,0,0|1,0,0]=3 8426 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,2,0,0,0,0|2,0,0]=4 8427 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,2,0,0,0,0|2,0,0]=4 8428 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,2,0,0,0,0|2,0,0]=4 8429 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,2,0,0,0,0|2,0,0]=4 8430 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,2,0,0,0,0|2,0,0]=4 8431 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,2,0,0,0,0|1,0,0]=3 8432 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,2,0,0,0,0|2,0,0]=4 8433 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,2,0,0,0,0|2,0,0]=4 8434 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,2,0,0,0,0|2,0,0]=4 8435 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,2,0,0,0,0|2,0,0]=4 8436 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,2,0,0,0,0|2,0,0]=4 8437 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,2,0,0,0,0|2,0,0]=4 8438 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,2,0,0,0,0|1,0,0]=3 8439 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,2,0,0,0,0|1,0,0]=3 8440 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,2,0,0,0,0|2,0,0]=4 8441 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,2,0,0,0,0|2,0,0]=4 8442 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,2,0,0,0,0|2,0,0]=4 8443 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,2,0,0,0,0|2,0,0]=4 8444 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,2,0,0,0,0|2,0,0]=4 8445 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,2,0,0,0,0|2,0,0]=4 8446 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,2,0,0,0,0|2,0,0]=4 8447 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,2,0,0,0,0|2,0,0]=4 8448 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,2,0,0,0,0|2,0,0]=4 8449 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,2,0,0,0,0|1,0,1]=4 8450 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,2,0,0,0,0|1,0,1]=4 8451 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|2,0,0]=4 8452 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|2,0,0]=4 8453 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,2,0,0,0,0|2,0,0]=4 8454 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,2,0,0,0,0|2,0,0]=4 8455 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,2,0,0,0,0|1,0,0]=3 8456 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 8457 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 8458 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 8459 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,2,0,0,0,0|1,0,0]=3 8460 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,2,0,0,0,0|1,0,0]=3 8461 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,2,0,0,0,0|1,0,0]=3 8462 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,2,0,0,0,0|2,0,0]=4 8463 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 8464 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 8465 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 8466 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 8467 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 8468 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 8469 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 8470 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 8471 B9R0.47 CSCCNC(=O)C(F)F 11a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 8472 B9R0.47 CSCCNC(=O)C(F)F 1626a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 8473 B9R0.47 CSCCNC(=O)C(F)F 240690a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 8474 B9R0.47 CSCCNC(=O)C(F)F 527a_100020590264_100000210393 [0,2,0,0,0,0|2,0,0]=4 8475 B9R0.47 CSCCNC(=O)C(O)O 240690a_100020590264_100000233687 [0,2,0,0,0,0|2,0,0]=4 8476 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,2,0,0,0,0|2,0,0]=4 8477 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,2,0,0,0,0|2,0,0]=4 8478 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,2,0,0,0,0|2,0,0]=4 8479 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,2,0,0,0,0|2,0,0]=4 8480 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,2,0,0,0,0|1,0,0]=3 8481 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,2,0,0,0,0|2,0,0]=4 8482 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,2,0,0,0,0|2,0,0]=4 8483 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,2,0,0,0,0|2,0,0]=4 8484 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,2,0,0,0,0|2,0,0]=4 8485 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,2,0,0,0,0|2,0,0]=4 8486 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,2,0,0,0,0|1,0,0]=3 8487 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,2,0,0,0,0|1,0,0]=3 8488 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,2,0,0,0,0|2,0,0]=4 8489 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,2,0,0,0,0|2,0,0]=4 8490 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 8491 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,2,0,0,0,0|2,0,0]=4 8492 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,2,0,0,0,0|2,0,0]=4 8493 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,2,0,0,0,0|2,0,0]=4 8494 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,2,0,0,0,0|2,0,0]=4 8495 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,2,0,0,0,0|2,0,0]=4 8496 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,2,0,0,0,0|1,0,0]=3 8497 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,2,0,0,0,0|1,0,0]=3 8498 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,2,0,0,0,0|2,0,0]=4 8499 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,2,0,0,0,0|2,0,0]=4 8500 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,2,0,0,0,0|2,0,0]=4 8501 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,2,0,0,0,0|2,0,0]=4 8502 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,2,0,0,0,0|2,0,0]=4 8503 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,2,0,0,0,0|2,0,0]=4 8504 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,2,0,0,0,0|2,0,0]=4 8505 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,2,0,0,0,0|2,0,0]=4 8506 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,2,0,0,0,0|2,0,0]=4 8507 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,2,0,0,0,0|1,0,0]=3 8508 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,2,0,0,0,0|2,0,0]=4 8509 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,2,0,0,0,0|1,0,1]=4 8510 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,2,0,0,0,0|1,0,1]=4 8511 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|2,0,0]=4 8512 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|2,0,0]=4 8513 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,2,0,0,0,0|2,0,0]=4 8514 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,2,0,0,0,0|2,0,0]=4 8515 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,2,0,0,0,0|2,0,0]=4 8516 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,2,0,0,0,0|2,0,0]=4 8517 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,2,0,0,0,0|2,0,0]=4 8518 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,2,0,0,0,0|2,0,0]=4 8519 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,2,0,0,0,0|1,0,1]=4 8520 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|1,0,0]=3 8521 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|1,0,0]=3 8522 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|2,0,0]=4 8523 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|2,0,0]=4 8524 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,2,0,0,0,0|2,0,0]=4 8525 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,2,0,0,0,0|2,0,0]=4 8526 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,2,0,0,0,0|2,0,0]=4 8527 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,2,0,0,0,0|2,0,0]=4 8528 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,2,0,0,0,0|2,0,0]=4 8529 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,2,0,0,0,0|2,0,0]=4 8530 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,2,0,0,0,0|1,0,1]=4 8531 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|1,0,0]=3 8532 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|1,0,0]=3 8533 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 8534 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 8535 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|2,0,0]=4 8536 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,2,0,0,0,0|2,0,0]=4 8537 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,2,0,0,0,0|2,0,0]=4 8538 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,2,0,0,0,0|1,0,1]=4 8539 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 8540 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 8541 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,2,0,0,0,0|2,0,0]=4 8542 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,2,0,0,0,0|2,0,0]=4 8543 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,2,0,0,0,0|2,0,0]=4 8544 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,2,0,0,0,0|2,0,0]=4 8545 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,2,0,0,0,0|2,0,0]=4 8546 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,2,0,0,0,0|2,0,0]=4 8547 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,2,0,0,0,0|2,0,0]=4 8548 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,2,0,0,0,0|2,0,0]=4 8549 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|2,0,0]=4 8550 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,2,0,0,0,0|2,0,0]=4 8551 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,2,0,0,0,0|2,0,0]=4 8552 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,2,0,0,0,0|1,0,0]=3 8553 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|1,0,0]=3 8554 B9R0.47 O=C(NCCCF)C(F)F 11a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 8555 B9R0.47 O=C(NCCCF)C(F)F 1626a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 8556 B9R0.47 O=C(NCCCF)C(F)F 240690a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 8557 B9R0.47 O=C(NCCCF)C(F)F 527a_100015189416_100000210393 [0,2,0,0,0,0|2,0,0]=4 8558 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,2,0,0,0,0|2,0,0]=4 8559 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 8560 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 8561 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,2,0,0,0,0|2,0,0]=4 8562 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,2,0,0,0,0|2,0,0]=4 8563 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,2,0,0,0,0|2,0,0]=4 8564 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,2,0,0,0,0|2,0,0]=4 8565 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,2,0,0,0,0|2,0,0]=4 8566 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,2,0,0,0,0|2,0,0]=4 8567 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,2,0,0,0,0|2,0,0]=4 8568 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,2,0,0,0,0|2,0,0]=4 8569 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,2,0,0,0,0|2,0,0]=4 8570 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,2,0,0,0,0|2,0,0]=4 8571 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,2,0,0,0,0|2,0,0]=4 8572 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,2,0,0,0,0|1,0,1]=4 8573 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,2,0,0,0,0|1,0,1]=4 8574 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,2,0,0,0,0|1,0,1]=4 8575 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,2,0,0,0,0|1,0,1]=4 8576 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,2,0,0,0,0|1,0,1]=4 8577 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,2,0,0,0,0|1,0,1]=4 8578 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,2,0,0,0,0|1,0,1]=4 8579 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,2,0,0,0,0|1,0,1]=4 8580 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,2,0,0,0,0|1,0,1]=4 8581 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,2,0,0,0,0|0,0,2]=4 8582 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,2,0,0,0,0|0,0,2]=4 8583 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,2,0,0,0,0|0,0,2]=4 8584 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,2,0,0,0,0|0,0,2]=4 8585 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [0,2,0,0,0,0|2,0,0]=4 8586 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [0,2,0,0,0,0|2,0,0]=4 8587 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [0,2,0,0,0,0|2,0,0]=4 8588 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,2,0,0,0,0|0,0,0]=2 8589 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,2,0,0,0,0|0,0,0]=2 8590 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,2,0,0,0,0|0,0,0]=2 8591 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,2,0,0,0,0|2,0,0]=4 8592 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,2,0,0,0,0|2,0,0]=4 8593 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,2,0,0,0,0|0,0,1]=3 8594 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,2,0,0,0,0|0,0,1]=3 8595 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,2,0,0,0,0|0,0,1]=3 8596 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,2,0,0,0,0|0,0,1]=3 8597 B9R0.2 C#CCCCNCC(=C)C 34a_100000718082_100000748629 [0,2,0,0,0,0|1,0,1]=4 8598 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,2,0,0,0,0|1,0,1]=4 8599 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,2,0,0,0,0|1,0,1]=4 8600 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,2,0,0,0,0|1,0,1]=4 8601 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,2,0,0,0,0|1,0,1]=4 8602 B9R0.2 C#CCCCOCC(=C)C 34a_100000210245_100000695029 [0,2,0,0,0,0|1,0,1]=4 8603 B9R0.2 C#CCCCOCC(=C)C 34a_100000215630_100000748629 [0,2,0,0,0,0|1,0,1]=4 8604 B9R0.2 C#CCCCOCC(=C)C 7a_100000215630_100000748629 [0,2,0,0,0,0|1,0,1]=4 8605 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,2,0,0,0,0|0,0,1]=3 8606 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,2,0,0,0,0|1,0,1]=4 8607 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,2,0,0,0,0|1,0,1]=4 8608 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,2,0,0,0,0|1,0,1]=4 8609 B9R0.2 C#CCCCSCC(=C)C 62a_100000748629_100011215417 [0,2,0,0,0,0|1,0,1]=4 8610 B9R0.2 C#CCCCSCC(=C)C 62a_100011215417_100000211660 [0,2,0,0,0,0|1,0,1]=4 8611 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,2,0,0,0,0|1,0,1]=4 8612 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,2,0,0,0,0|1,0,1]=4 8613 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,2,0,0,0,0|1,0,1]=4 8614 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,2,0,0,0,0|1,0,1]=4 8615 B9R0.2 C#CCCNCCC(=C)C 34a_100000755551_100000730704 [0,2,0,0,0,0|1,0,1]=4 8616 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,2,0,0,0,0|1,0,1]=4 8617 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,2,0,0,0,0|0,0,2]=4 8618 B9R0.2 C#CCCOCCC(=C)C 34a_100000764851_100000688953 [0,2,0,0,0,0|1,0,1]=4 8619 B9R0.2 C#CCCOCCC(=C)C 34a_100011215631_100000730704 [0,2,0,0,0,0|1,0,1]=4 8620 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,2,0,0,0,0|0,0,1]=3 8621 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,2,0,0,0,0|0,0,1]=3 8622 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,2,0,0,0,0|1,0,1]=4 8623 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,2,0,0,0,0|1,0,1]=4 8624 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,2,0,0,0,0|1,0,1]=4 8625 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,2,0,0,0,0|0,0,2]=4 8626 B9R0.2 C#CCCSCCC(=C)C 62a_100000688953_100000730704 [0,2,0,0,0,0|1,0,1]=4 8627 B9R0.2 C#CCCSCCC(=C)C 62a_100000730704_100000688953 [0,2,0,0,0,0|1,0,1]=4 8628 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,2,0,0,0,0|0,0,1]=3 8629 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,2,0,0,0,0|0,0,1]=3 8630 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,2,0,0,0,0|1,0,1]=4 8631 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,2,0,0,0,0|1,0,1]=4 8632 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,2,0,0,0,0|0,0,2]=4 8633 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,2,0,0,0,0|0,0,2]=4 8634 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,2,0,0,0,0|0,0,1]=3 8635 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,2,0,0,0,0|1,0,1]=4 8636 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,2,0,0,0,0|1,0,1]=4 8637 B9R0.2 C#CCNCCCS(=O)C 2230a_200000753449_100000038162 [0,2,0,0,0,0|1,0,1]=4 8638 B9R0.2 C#CCNCCNC(=O)C 2230a_100000209853_100000038162 [0,2,0,0,0,0|0,0,2]=4 8639 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,2,0,0,0,0|0,0,2]=4 8640 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,2,0,0,0,0|0,0,1]=3 8641 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,2,0,0,0,0|0,0,1]=3 8642 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,2,0,0,0,0|0,0,1]=3 8643 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,2,0,0,0,0|1,0,1]=4 8644 B9R0.2 C#CCOCCNC(=O)C 11a_100000700922_100015343762 [0,2,0,0,0,0|0,0,2]=4 8645 B9R0.2 C#CCOCCNC(=O)C 1626a_100000700922_100015343762 [0,2,0,0,0,0|0,0,2]=4 8646 B9R0.2 C#CCOCCNC(=O)C 240690a_100000700922_100015343762 [0,2,0,0,0,0|0,0,2]=4 8647 B9R0.2 C#CCOCCNC(=O)C 34a_100000158858_100000184674 [0,2,0,0,0,0|0,0,2]=4 8648 B9R0.2 C#CCOCCNC(=O)C 527a_100000700922_100103153847 [0,2,0,0,0,0|0,0,2]=4 8649 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,2,0,0,0,0|0,0,2]=4 8650 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,2,0,0,0,0|0,0,1]=3 8651 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,2,0,0,0,0|1,0,1]=4 8652 B9R0.2 C#CCSCCNC(=O)C 62a_100000038162_100000189650 [0,2,0,0,0,0|0,0,2]=4 8653 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,2,0,0,0,0|0,0,2]=4 8654 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,2,0,0,0,0|1,0,1]=4 8655 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,2,0,0,0,0|1,0,1]=4 8656 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,2,0,0,0,0|0,0,1]=3 8657 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,2,0,0,0,0|0,0,1]=3 8658 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,2,0,0,0,0|1,0,1]=4 8659 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,2,0,0,0,0|1,0,1]=4 8660 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,2,0,0,0,0|1,0,1]=4 8661 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,2,0,0,0,0|0,0,2]=4 8662 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,2,0,0,0,0|0,0,1]=3 8663 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,2,0,0,0,0|0,0,1]=3 8664 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,2,0,0,0,0|1,0,1]=4 8665 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,2,0,0,0,0|1,0,1]=4 8666 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,2,0,0,0,0|0,0,2]=4 8667 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,2,0,0,0,0|0,0,2]=4 8668 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,2,0,0,0,0|1,0,1]=4 8669 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,2,0,0,0,0|1,0,1]=4 8670 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,2,0,0,0,0|1,0,1]=4 8671 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,2,0,0,0,0|1,0,1]=4 8672 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,2,0,0,0,0|1,0,1]=4 8673 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [0,2,0,0,0,0|1,0,1]=4 8674 B9R0.2 C=C(C)CCNCC#CC 2230a_100000685387_100000730704 [0,2,0,0,0,0|1,0,1]=4 8675 B9R0.2 C=C(C)CCNCC#CC 34a_100000685387_100000730704 [0,2,0,0,0,0|1,0,1]=4 8676 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,2,0,0,0,0|1,0,0]=3 8677 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,2,0,0,0,0|1,0,0]=3 8678 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,2,0,0,0,0|1,0,0]=3 8679 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,2,0,0,0,0|1,0,0]=3 8680 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,2,0,0,0,0|1,0,0]=3 8681 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,2,0,0,0,0|1,0,0]=3 8682 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,2,0,0,0,0|1,0,1]=4 8683 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,2,0,0,0,0|1,0,1]=4 8684 B9R0.2 C=C(C)CCOCC#CC 34a_100000761923_100000730704 [0,2,0,0,0,0|1,0,1]=4 8685 B9R0.2 C=C(C)CCOCC#CC 34a_100000764851_100000748600 [0,2,0,0,0,0|1,0,1]=4 8686 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,2,0,0,0,0|1,0,1]=4 8687 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,2,0,0,0,0|1,0,0]=3 8688 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,2,0,0,0,0|1,0,0]=3 8689 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,2,0,0,0,0|1,0,0]=3 8690 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,2,0,0,0,0|1,0,0]=3 8691 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,2,0,0,0,0|1,0,0]=3 8692 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,2,0,0,0,0|1,0,0]=3 8693 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,2,0,0,0,0|1,0,0]=3 8694 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,2,0,0,0,0|1,0,0]=3 8695 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,2,0,0,0,0|1,0,0]=3 8696 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,2,0,0,0,0|1,0,0]=3 8697 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,2,0,0,0,0|1,0,0]=3 8698 B9R0.2 C=C(C)CCOCCON 34a_100000700252_100000730704 [0,2,0,0,0,0|2,0,0]=4 8699 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,2,0,0,0,0|1,0,0]=3 8700 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,2,0,0,0,0|1,0,0]=3 8701 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,2,0,0,0,0|1,0,0]=3 8702 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,2,0,0,0,0|1,0,1]=4 8703 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,2,0,0,0,0|1,0,1]=4 8704 B9R0.2 C=C(C)CCSCC#CC 62a_100000730704_100000748600 [0,2,0,0,0,0|1,0,1]=4 8705 B9R0.2 C=C(C)CCSCC#CC 62a_100000748600_100000730704 [0,2,0,0,0,0|1,0,1]=4 8706 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,2,0,0,0,0|1,0,1]=4 8707 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,2,0,0,0,0|1,0,1]=4 8708 B9R0.2 C=C(C)CCSCCC#N 62a_100000730704_100011215226 [0,2,0,0,0,0|1,0,1]=4 8709 B9R0.2 C=C(C)CCSCCC#N 62a_100011215226_100000730704 [0,2,0,0,0,0|1,0,1]=4 8710 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,2,0,0,0,0|1,0,0]=3 8711 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,2,0,0,0,0|1,0,0]=3 8712 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,2,0,0,0,0|1,0,0]=3 8713 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,2,0,0,0,0|1,0,0]=3 8714 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,2,0,0,0,0|1,0,0]=3 8715 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,2,0,0,0,0|1,0,0]=3 8716 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,2,0,0,0,0|1,0,0]=3 8717 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,2,0,0,0,0|1,0,0]=3 8718 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,2,0,0,0,0|1,0,0]=3 8719 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,2,0,0,0,0|1,0,0]=3 8720 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,2,0,0,0,0|1,0,0]=3 8721 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,2,0,0,0,0|1,0,0]=3 8722 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,2,0,0,0,0|1,0,0]=3 8723 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,2,0,0,0,0|1,0,0]=3 8724 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,2,0,0,0,0|1,0,0]=3 8725 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,2,0,0,0,0|1,0,0]=3 8726 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,2,0,0,0,0|1,0,0]=3 8727 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,2,0,0,0,0|1,0,0]=3 8728 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,2,0,0,0,0|1,0,0]=3 8729 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,2,0,0,0,0|1,0,0]=3 8730 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [0,2,0,0,0,0|1,0,1]=4 8731 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [0,2,0,0,0,0|1,0,1]=4 8732 B9R0.2 C=C(C)COCC#CCC 34a_100000032950_100000748629 [0,2,0,0,0,0|1,0,1]=4 8733 B9R0.2 C=C(C)COCC#CCC 34a_100000210245_100009813939 [0,2,0,0,0,0|1,0,1]=4 8734 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [0,2,0,0,0,0|1,0,1]=4 8735 B9R0.2 C=C(C)COCCC#CC 34a_100000750427_100000748629 [0,2,0,0,0,0|1,0,1]=4 8736 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,2,0,0,0,0|1,0,0]=3 8737 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,2,0,0,0,0|1,0,0]=3 8738 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,2,0,0,0,0|1,0,0]=3 8739 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,2,0,0,0,0|1,0,0]=3 8740 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,2,0,0,0,0|1,0,0]=3 8741 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,2,0,0,0,0|1,0,0]=3 8742 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,2,0,0,0,0|1,0,0]=3 8743 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,2,0,0,0,0|1,0,0]=3 8744 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,2,0,0,0,0|1,0,0]=3 8745 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,2,0,0,0,0|1,0,0]=3 8746 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,2,0,0,0,0|1,0,0]=3 8747 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,2,0,0,0,0|1,0,0]=3 8748 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,2,0,0,0,0|1,0,0]=3 8749 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,2,0,0,0,0|1,0,0]=3 8750 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,2,0,0,0,0|1,0,0]=3 8751 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,2,0,0,0,0|1,0,0]=3 8752 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,2,0,0,0,0|1,0,0]=3 8753 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,2,0,0,0,0|1,0,0]=3 8754 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,2,0,0,0,0|1,0,0]=3 8755 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,2,0,0,0,0|1,0,0]=3 8756 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,2,0,0,0,0|1,0,0]=3 8757 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,2,0,0,0,0|1,0,0]=3 8758 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,2,0,0,0,0|1,0,0]=3 8759 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [0,2,0,0,0,0|1,0,1]=4 8760 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [0,2,0,0,0,0|1,0,1]=4 8761 B9R0.2 C=C(C)CSCC#CCC 62a_100000748629_100009813939 [0,2,0,0,0,0|1,0,1]=4 8762 B9R0.2 C=C(C)CSCC#CCC 62a_100009813939_100000211660 [0,2,0,0,0,0|1,0,1]=4 8763 B9R0.2 C=C(C)CSCCCC#N 62a_100000687738_100000211660 [0,2,0,0,0,0|1,0,1]=4 8764 B9R0.2 C=C(C)CSCCCC#N 62a_100000748629_100000687738 [0,2,0,0,0,0|1,0,1]=4 8765 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,2,0,0,0,0|1,0,1]=4 8766 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,2,0,0,0,0|1,0,1]=4 8767 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,2,0,0,0,0|1,0,0]=3 8768 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,2,0,0,0,0|1,0,0]=3 8769 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,2,0,0,0,0|1,0,0]=3 8770 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,2,0,0,0,0|1,0,0]=3 8771 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,2,0,0,0,0|1,0,0]=3 8772 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,2,0,0,0,0|1,0,0]=3 8773 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,2,0,0,0,0|1,0,0]=3 8774 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,2,0,0,0,0|1,0,0]=3 8775 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,2,0,0,0,0|1,0,0]=3 8776 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,2,0,0,0,0|1,0,0]=3 8777 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,2,0,0,0,0|1,0,0]=3 8778 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,2,0,0,0,0|1,0,0]=3 8779 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,2,0,0,0,0|1,0,1]=4 8780 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,2,0,0,0,0|1,0,1]=4 8781 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,2,0,0,0,0|1,0,1]=4 8782 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,2,0,0,0,0|1,0,1]=4 8783 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,2,0,0,0,0|1,0,1]=4 8784 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [0,2,0,0,0,0|1,0,1]=4 8785 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [0,2,0,0,0,0|1,0,1]=4 8786 B9R0.2 C=C(F)CNCCSCC 2230a_100000106463_100009893438 [0,2,0,0,0,0|1,0,1]=4 8787 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,2,0,0,0,0|1,0,1]=4 8788 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,2,0,0,0,0|1,0,1]=4 8789 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,2,0,0,0,0|1,0,1]=4 8790 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,2,0,0,0,0|1,0,1]=4 8791 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,2,0,0,0,0|1,0,1]=4 8792 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,2,0,0,0,0|1,0,1]=4 8793 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,2,0,0,0,0|1,0,1]=4 8794 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,2,0,0,0,0|1,0,1]=4 8795 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,2,0,0,0,0|1,0,1]=4 8796 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,2,0,0,0,0|1,0,1]=4 8797 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,2,0,0,0,0|1,0,1]=4 8798 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,2,0,0,0,0|1,0,1]=4 8799 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,2,0,0,0,0|1,0,1]=4 8800 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,2,0,0,0,0|1,0,1]=4 8801 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,2,0,0,0,0|1,0,1]=4 8802 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,2,0,0,0,0|1,0,1]=4 8803 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,2,0,0,0,0|1,0,1]=4 8804 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,2,0,0,0,0|1,0,1]=4 8805 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,2,0,0,0,0|1,0,1]=4 8806 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,2,0,0,0,0|1,0,1]=4 8807 B9R0.2 C=C(F)COCCSCC 34a_100000212035_100009893438 [0,2,0,0,0,0|1,0,1]=4 8808 B9R0.2 C=C(F)COCCSCC 34a_200010262243_100000757381 [0,2,0,0,0,0|1,0,1]=4 8809 B9R0.2 C=C(F)COCCSCC 7a_100000212035_100000042424 [0,2,0,0,0,0|1,0,1]=4 8810 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,2,0,0,0,0|1,0,1]=4 8811 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,2,0,0,0,0|1,0,1]=4 8812 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,2,0,0,0,0|1,0,1]=4 8813 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,2,0,0,0,0|1,0,1]=4 8814 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,2,0,0,0,0|1,0,1]=4 8815 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,2,0,0,0,0|1,0,1]=4 8816 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,2,0,0,0,0|1,0,1]=4 8817 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,2,0,0,0,0|1,0,1]=4 8818 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [0,2,0,0,0,0|1,0,1]=4 8819 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [0,2,0,0,0,0|1,0,1]=4 8820 B9R0.2 C=C(F)CSCCSCC 62a_100000042424_100000757381 [0,2,0,0,0,0|1,0,1]=4 8821 B9R0.2 C=C(F)CSCCSCC 62a_100000757381_100000042424 [0,2,0,0,0,0|1,0,1]=4 8822 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,2,0,0,0,0|0,0,0]=2 8823 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,2,0,0,0,0|0,0,0]=2 8824 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,2,0,0,0,0|0,0,0]=2 8825 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,2,0,0,0,0|2,0,0]=4 8826 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,2,0,0,0,0|2,0,0]=4 8827 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,2,0,0,0,0|0,0,1]=3 8828 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,2,0,0,0,0|0,0,1]=3 8829 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,2,0,0,0,0|0,0,1]=3 8830 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,2,0,0,0,0|0,0,1]=3 8831 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,2,0,0,0,0|1,0,1]=4 8832 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,2,0,0,0,0|1,0,1]=4 8833 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,2,0,0,0,0|1,0,1]=4 8834 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,2,0,0,0,0|1,0,1]=4 8835 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,2,0,0,0,0|1,0,1]=4 8836 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,2,0,0,0,0|1,0,1]=4 8837 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,2,0,0,0,0|1,0,1]=4 8838 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,2,0,0,0,0|1,0,1]=4 8839 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,2,0,0,0,0|1,0,1]=4 8840 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,2,0,0,0,0|1,0,1]=4 8841 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,2,0,0,0,0|0,0,1]=3 8842 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,2,0,0,0,0|1,0,1]=4 8843 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,2,0,0,0,0|1,0,1]=4 8844 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,2,0,0,0,0|1,0,1]=4 8845 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,2,0,0,0,0|1,0,1]=4 8846 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,2,0,0,0,0|1,0,1]=4 8847 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,2,0,0,0,0|1,0,1]=4 8848 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,2,0,0,0,0|1,0,1]=4 8849 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,2,0,0,0,0|1,0,1]=4 8850 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,2,0,0,0,0|1,0,1]=4 8851 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,2,0,0,0,0|1,0,1]=4 8852 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,2,0,0,0,0|1,0,1]=4 8853 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,2,0,0,0,0|1,0,1]=4 8854 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,2,0,0,0,0|1,0,1]=4 8855 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,2,0,0,0,0|0,0,1]=3 8856 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,2,0,0,0,0|0,0,1]=3 8857 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,2,0,0,0,0|1,0,1]=4 8858 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,2,0,0,0,0|1,0,1]=4 8859 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,2,0,0,0,0|1,0,1]=4 8860 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,2,0,0,0,0|0,0,2]=4 8861 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,2,0,0,0,0|1,0,1]=4 8862 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,2,0,0,0,0|1,0,1]=4 8863 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,2,0,0,0,0|0,0,1]=3 8864 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,2,0,0,0,0|0,0,1]=3 8865 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,2,0,0,0,0|1,0,1]=4 8866 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,2,0,0,0,0|1,0,1]=4 8867 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,2,0,0,0,0|0,0,2]=4 8868 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,2,0,0,0,0|0,0,2]=4 8869 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,2,0,0,0,0|1,0,1]=4 8870 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,2,0,0,0,0|1,0,1]=4 8871 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [0,2,0,0,0,0|0,0,2]=4 8872 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [0,2,0,0,0,0|0,0,2]=4 8873 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,2,0,0,0,0|0,0,1]=3 8874 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,2,0,0,0,0|0,0,1]=3 8875 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,2,0,0,0,0|0,0,1]=3 8876 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,2,0,0,0,0|1,0,1]=4 8877 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,2,0,0,0,0|0,0,2]=4 8878 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,2,0,0,0,0|0,0,2]=4 8879 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,2,0,0,0,0|0,0,1]=3 8880 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,2,0,0,0,0|0,0,1]=3 8881 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,2,0,0,0,0|1,0,1]=4 8882 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,2,0,0,0,0|1,0,1]=4 8883 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,2,0,0,0,0|0,0,2]=4 8884 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,2,0,0,0,0|0,0,2]=4 8885 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,2,0,0,0,0|0,0,2]=4 8886 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,2,0,0,0,0|0,0,2]=4 8887 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,2,0,0,0,0|0,0,2]=4 8888 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,2,0,0,0,0|0,0,2]=4 8889 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,2,0,0,0,0|0,0,2]=4 8890 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,2,0,0,0,0|0,0,2]=4 8891 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,2,0,0,0,0|0,0,2]=4 8892 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [0,2,0,0,0,0|1,0,1]=4 8893 B9R0.2 CC#CCCOCC(=O)[O-] 34a_100000750427_100020667443 [0,2,0,0,0,0|1,0,1]=4 8894 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [0,2,0,0,0,0|1,0,1]=4 8895 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [0,2,0,0,0,0|1,0,1]=4 8896 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,2,0,0,0,0|0,0,2]=4 8897 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,2,0,0,0,0|0,0,1]=3 8898 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,2,0,0,0,0|0,0,1]=3 8899 B9R0.2 CC#CCOCCC(=O)N 34a_100000757172_100000748600 [0,2,0,0,0,0|1,0,1]=4 8900 B9R0.2 CC#CCOCCC(=O)N 34a_100000761923_100000731001 [0,2,0,0,0,0|1,0,1]=4 8901 B9R0.2 CC#CCOCCC(=O)N 7a_100000757172_100000748600 [0,2,0,0,0,0|1,0,1]=4 8902 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,2,0,0,0,0|0,0,2]=4 8903 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,2,0,0,0,0|0,0,1]=3 8904 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,2,0,0,0,0|0,0,1]=3 8905 B9R0.2 CC#CCSCCC(=O)N 62a_100000744528_100000748600 [0,2,0,0,0,0|1,0,1]=4 8906 B9R0.2 CC#CCSCCC(=O)N 62a_100000748600_100000744528 [0,2,0,0,0,0|1,0,1]=4 8907 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,2,0,0,0,0|0,0,2]=4 8908 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,2,0,0,0,0|0,0,2]=4 8909 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [0,2,0,0,0,0|1,0,1]=4 8910 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,2,0,0,0,0|1,0,1]=4 8911 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,2,0,0,0,0|1,0,1]=4 8912 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [0,2,0,0,0,0|1,0,1]=4 8913 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [0,2,0,0,0,0|1,0,1]=4 8914 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [0,2,0,0,0,0|1,0,1]=4 8915 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [0,2,0,0,0,0|1,0,1]=4 8916 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,2,0,0,0,0|1,0,1]=4 8917 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,2,0,0,0,0|1,0,1]=4 8918 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [0,2,0,0,0,0|1,0,1]=4 8919 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [0,2,0,0,0,0|1,0,1]=4 8920 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [0,2,0,0,0,0|1,0,1]=4 8921 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,2,0,0,0,0|1,0,1]=4 8922 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [0,2,0,0,0,0|1,0,1]=4 8923 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [0,2,0,0,0,0|1,0,1]=4 8924 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [0,2,0,0,0,0|1,0,1]=4 8925 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [0,2,0,0,0,0|1,0,1]=4 8926 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [0,2,0,0,0,0|1,0,1]=4 8927 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,2,0,0,0,0|1,0,1]=4 8928 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [0,2,0,0,0,0|1,0,1]=4 8929 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [0,2,0,0,0,0|1,0,1]=4 8930 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,2,0,0,0,0|1,0,1]=4 8931 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,2,0,0,0,0|1,0,1]=4 8932 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,2,0,0,0,0|0,0,0]=2 8933 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,2,0,0,0,0|0,0,0]=2 8934 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,2,0,0,0,0|0,0,0]=2 8935 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,2,0,0,0,0|0,0,0]=2 8936 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,2,0,0,0,0|1,0,0]=3 8937 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,2,0,0,0,0|0,0,0]=2 8938 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,2,0,0,0,0|0,0,0]=2 8939 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,2,0,0,0,0|0,0,0]=2 8940 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,2,0,0,0,0|0,0,0]=2 8941 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,2,0,0,0,0|0,0,1]=3 8942 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,2,0,0,0,0|0,0,1]=3 8943 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,2,0,0,0,0|0,0,1]=3 8944 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,2,0,0,0,0|0,0,0]=2 8945 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,2,0,0,0,0|0,0,0]=2 8946 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,2,0,0,0,0|0,0,0]=2 8947 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,2,0,0,0,0|0,0,0]=2 8948 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,2,0,0,0,0|0,0,0]=2 8949 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,2,0,0,0,0|0,0,0]=2 8950 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,2,0,0,0,0|0,0,1]=3 8951 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,2,0,0,0,0|0,0,1]=3 8952 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,2,0,0,0,0|0,0,1]=3 8953 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,2,0,0,0,0|0,0,1]=3 8954 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,2,0,0,0,0|0,0,0]=2 8955 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,2,0,0,0,0|0,0,0]=2 8956 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,2,0,0,0,0|0,0,0]=2 8957 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,2,0,0,0,0|0,0,0]=2 8958 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,2,0,0,0,0|0,0,1]=3 8959 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,2,0,0,0,0|0,0,0]=2 8960 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,2,0,0,0,0|0,0,0]=2 8961 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,2,0,0,0,0|0,0,0]=2 8962 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,2,0,0,0,0|0,0,0]=2 8963 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,2,0,0,0,0|0,0,1]=3 8964 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,2,0,0,0,0|0,0,1]=3 8965 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,2,0,0,0,0|0,0,0]=2 8966 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,2,0,0,0,0|0,0,0]=2 8967 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,2,0,0,0,0|0,0,0]=2 8968 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,2,0,0,0,0|0,0,0]=2 8969 B9R0.2 CC(=O)CCSCSC#N 62a_100000053229_100000211825 [0,2,0,0,0,0|1,0,1]=4 8970 B9R0.2 CC(=O)CCSCSC#N 62a_100000211825_100000053229 [0,2,0,0,0,0|1,0,1]=4 8971 B9R0.2 CC(=O)COCC#CCO 34a_100000211253_200000047223 [0,2,0,0,0,0|0,0,2]=4 8972 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,2,0,0,0,0|0,0,0]=2 8973 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,2,0,0,0,0|0,0,0]=2 8974 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,2,0,0,0,0|0,0,1]=3 8975 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,2,0,0,0,0|0,0,1]=3 8976 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,2,0,0,0,0|0,0,1]=3 8977 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,2,0,0,0,0|0,0,1]=3 8978 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,2,0,0,0,0|0,0,0]=2 8979 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,2,0,0,0,0|0,0,0]=2 8980 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,2,0,0,0,0|0,0,0]=2 8981 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,2,0,0,0,0|2,0,0]=4 8982 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,2,0,0,0,0|1,0,0]=3 8983 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,2,0,0,0,0|1,0,0]=3 8984 B9R0.2 CC(=O)NCCNCC#N 2230a_100000209853_100011215382 [0,2,0,0,0,0|1,0,1]=4 8985 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,2,0,0,0,0|1,0,1]=4 8986 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,2,0,0,0,0|1,0,0]=3 8987 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,2,0,0,0,0|1,0,0]=3 8988 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,2,0,0,0,0|1,0,0]=3 8989 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,2,0,0,0,0|1,0,1]=4 8990 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,2,0,0,0,0|1,0,0]=3 8991 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,2,0,0,0,0|1,0,0]=3 8992 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,2,0,0,0,0|1,0,0]=3 8993 B9R0.2 CC(=O)NCCSCC#N 62a_100000189650_100011215382 [0,2,0,0,0,0|1,0,1]=4 8994 B9R0.2 CC(=O)NCCSCC#N 62a_100011215382_100000189650 [0,2,0,0,0,0|1,0,1]=4 8995 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,2,0,0,0,0|1,0,1]=4 8996 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,2,0,0,0,0|1,0,1]=4 8997 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,2,0,0,0,0|1,0,0]=3 8998 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,2,0,0,0,0|1,0,0]=3 8999 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,2,0,0,0,0|1,0,0]=3 9000 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,2,0,0,0,0|1,0,0]=3 9001 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,2,0,0,0,0|1,0,0]=3 9002 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,2,0,0,0,0|1,0,0]=3 9003 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,2,0,0,0,0|0,0,0]=2 9004 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,2,0,0,0,0|0,0,0]=2 9005 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,2,0,0,0,0|0,0,0]=2 9006 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,2,0,0,0,0|0,0,0]=2 9007 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,2,0,0,0,0|1,0,0]=3 9008 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,2,0,0,0,0|1,0,0]=3 9009 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,2,0,0,0,0|1,0,0]=3 9010 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,2,0,0,0,0|1,0,0]=3 9011 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,2,0,0,0,0|1,0,0]=3 9012 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,2,0,0,0,0|1,0,0]=3 9013 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,2,0,0,0,0|1,0,0]=3 9014 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,2,0,0,0,0|1,0,0]=3 9015 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,2,0,0,0,0|1,0,1]=4 9016 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,2,0,0,0,0|1,0,1]=4 9017 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,2,0,0,0,0|1,0,1]=4 9018 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,2,0,0,0,0|1,0,1]=4 9019 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,2,0,0,0,0|1,0,0]=3 9020 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,2,0,0,0,0|1,0,0]=3 9021 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,2,0,0,0,0|1,0,0]=3 9022 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,2,0,0,0,0|1,0,0]=3 9023 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,2,0,0,0,0|1,0,0]=3 9024 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,2,0,0,0,0|1,0,0]=3 9025 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,2,0,0,0,0|1,0,0]=3 9026 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,2,0,0,0,0|1,0,0]=3 9027 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,2,0,0,0,0|1,0,0]=3 9028 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,2,0,0,0,0|2,0,0]=4 9029 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,2,0,0,0,0|1,0,1]=4 9030 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,2,0,0,0,0|1,0,1]=4 9031 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,2,0,0,0,0|1,0,0]=3 9032 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,2,0,0,0,0|1,0,0]=3 9033 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,2,0,0,0,0|1,0,0]=3 9034 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,2,0,0,0,0|1,0,0]=3 9035 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,2,0,0,0,0|0,0,0]=2 9036 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,2,0,0,0,0|0,0,0]=2 9037 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,2,0,0,0,0|1,0,0]=3 9038 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,2,0,0,0,0|1,0,0]=3 9039 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,2,0,0,0,0|1,1,0]=4 9040 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,2,0,0,0,0|1,1,0]=4 9041 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,2,0,0,0,0|1,0,1]=4 9042 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,2,0,0,0,0|1,0,1]=4 9043 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,2,0,0,0,0|1,0,1]=4 9044 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,2,0,0,0,0|1,0,1]=4 9045 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,2,0,0,0,0|1,0,1]=4 9046 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,2,0,0,0,0|1,0,1]=4 9047 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,2,0,0,0,0|1,0,1]=4 9048 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,2,0,0,0,0|1,0,1]=4 9049 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,2,0,0,0,0|1,0,1]=4 9050 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,2,0,0,0,0|1,0,1]=4 9051 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,2,0,0,0,0|1,0,1]=4 9052 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,2,0,0,0,0|1,0,1]=4 9053 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,2,0,0,0,0|1,0,1]=4 9054 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,2,0,0,0,0|1,0,1]=4 9055 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,2,0,0,0,0|1,0,1]=4 9056 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,2,0,0,0,0|1,0,1]=4 9057 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,2,0,0,0,0|1,0,1]=4 9058 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,2,0,0,0,0|1,0,1]=4 9059 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,2,0,0,0,0|1,0,1]=4 9060 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,2,0,0,0,0|1,0,1]=4 9061 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,2,0,0,0,0|1,0,1]=4 9062 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,2,0,0,0,0|1,0,1]=4 9063 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,2,0,0,0,0|1,0,1]=4 9064 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,2,0,0,0,0|1,0,1]=4 9065 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,2,0,0,0,0|1,0,1]=4 9066 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,2,0,0,0,0|1,0,1]=4 9067 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,2,0,0,0,0|1,0,1]=4 9068 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,2,0,0,0,0|1,0,1]=4 9069 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,2,0,0,0,0|1,0,1]=4 9070 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,2,0,0,0,0|1,0,1]=4 9071 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,2,0,0,0,0|1,0,1]=4 9072 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,2,0,0,0,0|1,0,1]=4 9073 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,2,0,0,0,0|1,0,1]=4 9074 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,2,0,0,0,0|1,0,1]=4 9075 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,2,0,0,0,0|1,0,1]=4 9076 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,2,0,0,0,0|1,0,1]=4 9077 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,2,0,0,0,0|1,0,1]=4 9078 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,2,0,0,0,0|1,0,1]=4 9079 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,2,0,0,0,0|1,0,1]=4 9080 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,2,0,0,0,0|1,0,1]=4 9081 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,2,0,0,0,0|1,0,1]=4 9082 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,2,0,0,0,0|1,0,1]=4 9083 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,2,0,0,0,0|1,0,1]=4 9084 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,2,0,0,0,0|1,0,1]=4 9085 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,2,0,0,0,0|1,0,1]=4 9086 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,2,0,0,0,0|1,0,1]=4 9087 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,2,0,0,0,0|1,0,1]=4 9088 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,2,0,0,0,0|1,0,1]=4 9089 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,2,0,0,0,0|1,0,1]=4 9090 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,2,0,0,0,0|1,0,1]=4 9091 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,2,0,0,0,0|1,0,1]=4 9092 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,2,0,0,0,0|1,0,1]=4 9093 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,2,0,0,0,0|1,0,1]=4 9094 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,2,0,0,0,0|1,0,1]=4 9095 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,2,0,0,0,0|1,0,1]=4 9096 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,2,0,0,0,0|1,0,1]=4 9097 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,2,0,0,0,0|1,0,1]=4 9098 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,2,0,0,0,0|1,0,1]=4 9099 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,2,0,0,0,0|1,0,1]=4 9100 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,2,0,0,0,0|1,0,1]=4 9101 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,2,0,0,0,0|1,0,1]=4 9102 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,2,0,0,0,0|1,0,1]=4 9103 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,2,0,0,0,0|1,0,1]=4 9104 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,2,0,0,0,0|1,0,1]=4 9105 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,2,0,0,0,0|1,0,1]=4 9106 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,2,0,0,0,0|1,0,1]=4 9107 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,2,0,0,0,0|1,0,1]=4 9108 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,2,0,0,0,0|1,0,1]=4 9109 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,2,0,0,0,0|1,0,1]=4 9110 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [0,2,0,0,0,0|1,0,1]=4 9111 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [0,2,0,0,0,0|1,0,1]=4 9112 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,2,0,0,0,0|1,0,1]=4 9113 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,2,0,0,0,0|1,0,1]=4 9114 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,2,0,0,0,0|1,0,1]=4 9115 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,2,0,0,0,0|1,0,1]=4 9116 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,2,0,0,0,0|1,0,1]=4 9117 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,2,0,0,0,0|1,0,1]=4 9118 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,2,0,0,0,0|1,0,1]=4 9119 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,2,0,0,0,0|1,0,1]=4 9120 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,2,0,0,0,0|1,0,1]=4 9121 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,2,0,0,0,0|1,0,1]=4 9122 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,2,0,0,0,0|1,0,1]=4 9123 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,2,0,0,0,0|1,0,1]=4 9124 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,2,0,0,0,0|1,0,1]=4 9125 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,2,0,0,0,0|1,0,1]=4 9126 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [0,2,0,0,0,0|1,0,1]=4 9127 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [0,2,0,0,0,0|1,0,1]=4 9128 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,2,0,0,0,0|1,0,1]=4 9129 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,2,0,0,0,0|1,0,1]=4 9130 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,2,0,0,0,0|1,0,1]=4 9131 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,2,0,0,0,0|1,0,1]=4 9132 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,2,0,0,0,0|0,0,2]=4 9133 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,2,0,0,0,0|0,0,2]=4 9134 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,2,0,0,0,0|0,0,2]=4 9135 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,2,0,0,0,0|0,0,2]=4 9136 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,2,0,0,0,0|0,0,2]=4 9137 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,2,0,0,0,0|0,0,2]=4 9138 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,2,0,0,0,0|0,0,2]=4 9139 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,2,0,0,0,0|0,0,2]=4 9140 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,2,0,0,0,0|0,0,2]=4 9141 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,2,0,0,0,0|0,0,2]=4 9142 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,2,0,0,0,0|0,0,2]=4 9143 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,2,0,0,0,0|0,0,2]=4 9144 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,2,0,0,0,0|0,0,2]=4 9145 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,2,0,0,0,0|0,0,2]=4 9146 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,2,0,0,0,0|0,0,2]=4 9147 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,2,0,0,0,0|0,0,2]=4 9148 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,2,0,0,0,0|0,0,2]=4 9149 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,2,0,0,0,0|0,0,2]=4 9150 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,2,0,0,0,0|0,0,2]=4 9151 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,2,0,0,0,0|0,0,2]=4 9152 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,2,0,0,0,0|0,0,2]=4 9153 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,2,0,0,0,0|0,0,2]=4 9154 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,2,0,0,0,0|0,0,2]=4 9155 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,2,0,0,0,0|0,0,2]=4 9156 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,2,0,0,0,0|0,0,2]=4 9157 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|0,0,2]=4 9158 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,2,0,0,0,0|0,0,2]=4 9159 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,2,0,0,0,0|0,0,2]=4 9160 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,2,0,0,0,0|0,0,2]=4 9161 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,2,0,0,0,0|0,0,2]=4 9162 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,2,0,0,0,0|0,0,2]=4 9163 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,2,0,0,0,0|0,0,2]=4 9164 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,2,0,0,0,0|0,0,2]=4 9165 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,2,0,0,0,0|0,0,2]=4 9166 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,2,0,0,0,0|0,0,2]=4 9167 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,2,0,0,0,0|0,0,2]=4 9168 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,2,0,0,0,0|0,0,2]=4 9169 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,2,0,0,0,0|0,0,2]=4 9170 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,2,0,0,0,0|1,0,1]=4 9171 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|1,0,1]=4 9172 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,2,0,0,0,0|0,0,1]=3 9173 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,2,0,0,0,0|1,0,1]=4 9174 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,2,0,0,0,0|1,0,1]=4 9175 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,2,0,0,0,0|1,0,1]=4 9176 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,2,0,0,0,0|1,0,1]=4 9177 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,2,0,0,0,0|1,0,1]=4 9178 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,2,0,0,0,0|1,0,1]=4 9179 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,2,0,0,0,0|0,0,1]=3 9180 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,2,0,0,0,0|0,0,1]=3 9181 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,2,0,0,0,0|1,0,1]=4 9182 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,2,0,0,0,0|1,0,1]=4 9183 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,2,0,0,0,0|0,0,1]=3 9184 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,2,0,0,0,0|0,0,1]=3 9185 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,2,0,0,0,0|1,0,1]=4 9186 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,2,0,0,0,0|1,0,1]=4 9187 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,2,0,0,0,0|0,0,2]=4 9188 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,2,0,0,0,0|0,0,2]=4 9189 B9R0.2 CCC#CCNCC(=O)N 2230a_100000711301_100009813939 [0,2,0,0,0,0|1,0,1]=4 9190 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,2,0,0,0,0|1,0,1]=4 9191 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,2,0,0,0,0|0,0,1]=3 9192 B9R0.2 CCC#CCOCC(=O)N 34a_100000032950_100000187820 [0,2,0,0,0,0|1,0,1]=4 9193 B9R0.2 CCC#CCOCC(=O)[O-] 34a_100000032950_100020667443 [0,2,0,0,0,0|1,0,1]=4 9194 B9R0.2 CCC#CCSCC(=O)N 62a_100000747473_100009813939 [0,2,0,0,0,0|1,0,1]=4 9195 B9R0.2 CCC#CCSCC(=O)N 62a_100009813939_100000747473 [0,2,0,0,0,0|1,0,1]=4 9196 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100009813939_100020667443 [0,2,0,0,0,0|1,0,1]=4 9197 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100020667443_100009813939 [0,2,0,0,0,0|1,0,1]=4 9198 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,2,0,0,0,0|0,0,2]=4 9199 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,2,0,0,0,0|0,0,2]=4 9200 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,2,0,0,0,0|0,0,0]=2 9201 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,2,0,0,0,0|0,0,0]=2 9202 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,2,0,0,0,0|0,0,1]=3 9203 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,2,0,0,0,0|0,0,0]=2 9204 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,2,0,0,0,0|0,0,0]=2 9205 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,2,0,0,0,0|0,0,0]=2 9206 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,2,0,0,0,0|0,0,0]=2 9207 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,2,0,0,0,0|0,0,0]=2 9208 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,2,0,0,0,0|0,0,0]=2 9209 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,2,0,0,0,0|0,0,0]=2 9210 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,2,0,0,0,0|2,0,0]=4 9211 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,2,0,0,0,0|2,0,0]=4 9212 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,2,0,0,0,0|2,0,0]=4 9213 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,2,0,0,0,0|2,0,0]=4 9214 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,2,0,0,0,0|2,0,0]=4 9215 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,2,0,0,0,0|2,0,0]=4 9216 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,2,0,0,0,0|0,0,0]=2 9217 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,2,0,0,0,0|0,0,0]=2 9218 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,2,0,0,0,0|0,0,0]=2 9219 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,2,0,0,0,0|0,0,0]=2 9220 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,2,0,0,0,0|1,0,1]=4 9221 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,2,0,0,0,0|1,0,1]=4 9222 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,2,0,0,0,0|1,0,1]=4 9223 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,2,0,0,0,0|1,0,1]=4 9224 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,2,0,0,0,0|1,0,1]=4 9225 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,2,0,0,0,0|1,0,1]=4 9226 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,2,0,0,0,0|1,0,1]=4 9227 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,2,0,0,0,0|1,0,1]=4 9228 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,2,0,0,0,0|1,0,0]=3 9229 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,2,0,0,0,0|1,0,0]=3 9230 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,2,0,0,0,0|1,0,0]=3 9231 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,2,0,0,0,0|1,0,1]=4 9232 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,2,0,0,0,0|1,0,1]=4 9233 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,2,0,0,0,0|1,0,1]=4 9234 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,2,0,0,0,0|1,0,1]=4 9235 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,2,0,0,0,0|0,0,2]=4 9236 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,2,0,0,0,0|0,0,2]=4 9237 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,2,0,0,0,0|0,0,2]=4 9238 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,2,0,0,0,0|0,0,2]=4 9239 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,2,0,0,0,0|0,0,0]=2 9240 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,2,0,0,0,0|0,0,0]=2 9241 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,2,0,0,0,0|1,0,0]=3 9242 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,2,0,0,0,0|1,0,0]=3 9243 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,2,0,0,0,0|1,0,0]=3 9244 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,2,0,0,0,0|1,0,1]=4 9245 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,2,0,0,0,0|1,0,1]=4 9246 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,2,0,0,0,0|1,0,1]=4 9247 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,2,0,0,0,0|1,0,1]=4 9248 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,2,0,0,0,0|1,0,1]=4 9249 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,2,0,0,0,0|0,0,2]=4 9250 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,2,0,0,0,0|0,0,2]=4 9251 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,2,0,0,0,0|1,0,1]=4 9252 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,2,0,0,0,0|1,0,1]=4 9253 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,2,0,0,0,0|0,0,2]=4 9254 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,2,0,0,0,0|0,0,2]=4 9255 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,2,0,0,0,0|2,0,0]=4 9256 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,2,0,0,0,0|1,0,0]=3 9257 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,2,0,0,0,0|1,0,0]=3 9258 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,2,0,0,0,0|1,0,0]=3 9259 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,2,0,0,0,0|1,0,0]=3 9260 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,2,0,0,0,0|1,0,1]=4 9261 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,2,0,0,0,0|1,0,1]=4 9262 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,2,0,0,0,0|0,0,2]=4 9263 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,2,0,0,0,0|0,0,2]=4 9264 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,2,0,0,0,0|0,0,2]=4 9265 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,2,0,0,0,0|0,0,2]=4 9266 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,2,0,0,0,0|2,0,0]=4 9267 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,2,0,0,0,0|1,0,0]=3 9268 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,2,0,0,0,0|1,0,0]=3 9269 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,2,0,0,0,0|1,0,0]=3 9270 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,2,0,0,0,0|0,0,0]=2 9271 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,2,0,0,0,0|1,0,0]=3 9272 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,2,0,0,0,0|1,0,0]=3 9273 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,2,0,0,0,0|1,0,1]=4 9274 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,2,0,0,0,0|1,0,1]=4 9275 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,2,0,0,0,0|1,0,1]=4 9276 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,2,0,0,0,0|0,0,2]=4 9277 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,2,0,0,0,0|0,0,2]=4 9278 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,2,0,0,0,0|0,0,2]=4 9279 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,2,0,0,0,0|2,0,0]=4 9280 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,2,0,0,0,0|1,0,1]=4 9281 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,2,0,0,0,0|1,0,0]=3 9282 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,2,0,0,0,0|1,0,0]=3 9283 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,2,0,0,0,0|1,0,0]=3 9284 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,2,0,0,0,0|1,0,0]=3 9285 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,2,0,0,0,0|0,0,0]=2 9286 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,2,0,0,0,0|0,0,0]=2 9287 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,2,0,0,0,0|0,0,0]=2 9288 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,2,0,0,0,0|0,0,0]=2 9289 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,2,0,0,0,0|1,0,0]=3 9290 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,2,0,0,0,0|1,0,0]=3 9291 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,2,0,0,0,0|1,0,0]=3 9292 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,2,0,0,0,0|1,0,0]=3 9293 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,2,0,0,0,0|1,0,1]=4 9294 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,2,0,0,0,0|1,0,1]=4 9295 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,2,0,0,0,0|1,0,1]=4 9296 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,2,0,0,0,0|1,0,1]=4 9297 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,2,0,0,0,0|1,0,1]=4 9298 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,2,0,0,0,0|0,0,2]=4 9299 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,2,0,0,0,0|0,0,2]=4 9300 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,2,0,0,0,0|2,0,0]=4 9301 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,2,0,0,0,0|2,0,0]=4 9302 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,2,0,0,0,0|2,0,0]=4 9303 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,2,0,0,0,0|1,0,1]=4 9304 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,2,0,0,0,0|1,0,1]=4 9305 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,2,0,0,0,0|1,0,1]=4 9306 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,2,0,0,0,0|0,0,0]=2 9307 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,2,0,0,0,0|1,0,1]=4 9308 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,2,0,0,0,0|1,0,1]=4 9309 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,2,0,0,0,0|1,0,1]=4 9310 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,2,0,0,0,0|1,0,1]=4 9311 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,2,0,0,0,0|1,0,0]=3 9312 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,2,0,0,0,0|1,0,0]=3 9313 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,2,0,0,0,0|0,0,0]=2 9314 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,2,0,0,0,0|0,0,0]=2 9315 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,2,0,0,0,0|1,0,0]=3 9316 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,2,0,0,0,0|1,0,0]=3 9317 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,2,0,0,0,0|1,0,1]=4 9318 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,2,0,0,0,0|1,0,1]=4 9319 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,2,0,0,0,0|0,0,2]=4 9320 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,2,0,0,0,0|0,0,2]=4 9321 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,2,0,0,0,0|2,0,0]=4 9322 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,2,0,0,0,0|0,0,0]=2 9323 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,2,0,0,0,0|0,0,0]=2 9324 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,2,0,0,0,0|1,0,1]=4 9325 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,2,0,0,0,0|1,0,1]=4 9326 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,2,0,0,0,0|1,0,0]=3 9327 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,2,0,0,0,0|1,0,1]=4 9328 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,2,0,0,0,0|1,0,1]=4 9329 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,2,0,0,0,0|1,0,0]=3 9330 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,2,0,0,0,0|0,0,0]=2 9331 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,2,0,0,0,0|1,0,0]=3 9332 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,2,0,0,0,0|1,0,1]=4 9333 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,2,0,0,0,0|1,0,1]=4 9334 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [0,2,0,0,0,0|1,0,1]=4 9335 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [0,2,0,0,0,0|1,0,1]=4 9336 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,2,0,0,0,0|1,0,0]=3 9337 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,2,0,0,0,0|2,0,0]=4 9338 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,2,0,0,0,0|0,0,0]=2 9339 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,2,0,0,0,0|0,0,0]=2 9340 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,2,0,0,0,0|0,0,0]=2 9341 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,2,0,0,0,0|1,0,0]=3 9342 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,2,0,0,0,0|1,0,1]=4 9343 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,2,0,0,0,0|1,0,1]=4 9344 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,2,0,0,0,0|1,0,1]=4 9345 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,2,0,0,0,0|0,0,2]=4 9346 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,2,0,0,0,0|2,0,0]=4 9347 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,2,0,0,0,0|0,0,0]=2 9348 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,2,0,0,0,0|0,0,0]=2 9349 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,2,0,0,0,0|0,0,0]=2 9350 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,2,0,0,0,0|0,0,0]=2 9351 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,2,0,0,0,0|1,0,0]=3 9352 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,2,0,0,0,0|1,0,1]=4 9353 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,2,0,0,0,0|1,0,1]=4 9354 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,2,0,0,0,0|1,0,1]=4 9355 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,2,0,0,0,0|1,0,1]=4 9356 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,2,0,0,0,0|1,0,1]=4 9357 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,2,0,0,0,0|0,0,0]=2 9358 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,2,0,0,0,0|1,0,0]=3 9359 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,2,0,0,0,0|1,0,0]=3 9360 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,2,0,0,0,0|1,0,1]=4 9361 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,2,0,0,0,0|1,0,1]=4 9362 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,2,0,0,0,0|1,0,1]=4 9363 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,2,0,0,0,0|1,0,1]=4 9364 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,2,0,0,0,0|1,0,1]=4 9365 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,2,0,0,0,0|1,0,1]=4 9366 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,2,0,0,0,0|1,0,1]=4 9367 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,2,0,0,0,0|1,0,1]=4 9368 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,2,0,0,0,0|1,0,1]=4 9369 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,2,0,0,0,0|1,0,1]=4 9370 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,2,0,0,0,0|1,0,1]=4 9371 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,2,0,0,0,0|1,0,0]=3 9372 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,2,0,0,0,0|1,0,0]=3 9373 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,2,0,0,0,0|2,0,0]=4 9374 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,2,0,0,0,0|2,0,0]=4 9375 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,2,0,0,0,0|0,0,0]=2 9376 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,2,0,0,0,0|0,0,0]=2 9377 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,2,0,0,0,0|1,0,0]=3 9378 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,2,0,0,0,0|1,0,0]=3 9379 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,2,0,0,0,0|1,0,1]=4 9380 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,2,0,0,0,0|1,0,1]=4 9381 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,2,0,0,0,0|0,0,2]=4 9382 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,2,0,0,0,0|0,0,2]=4 9383 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,2,0,0,0,0|2,0,0]=4 9384 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,2,0,0,0,0|0,0,0]=2 9385 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,2,0,0,0,0|0,0,0]=2 9386 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,2,0,0,0,0|0,0,0]=2 9387 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,2,0,0,0,0|0,0,0]=2 9388 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,2,0,0,0,0|0,0,0]=2 9389 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,2,0,0,0,0|1,0,0]=3 9390 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,2,0,0,0,0|1,0,0]=3 9391 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [0,2,0,0,0,0|1,0,1]=4 9392 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,2,0,0,0,0|0,0,0]=2 9393 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,2,0,0,0,0|0,0,0]=2 9394 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,2,0,0,0,0|1,0,0]=3 9395 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,2,0,0,0,0|1,0,0]=3 9396 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,2,0,0,0,0|1,0,1]=4 9397 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,2,0,0,0,0|1,0,1]=4 9398 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,2,0,0,0,0|1,0,1]=4 9399 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,2,0,0,0,0|1,0,1]=4 9400 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [0,2,0,0,0,0|1,0,1]=4 9401 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [0,2,0,0,0,0|1,0,1]=4 9402 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,2,0,0,0,0|1,0,0]=3 9403 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,2,0,0,0,0|1,0,1]=4 9404 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,2,0,0,0,0|0,0,0]=2 9405 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,2,0,0,0,0|0,1,0]=3 9406 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,2,0,0,0,0|1,0,1]=4 9407 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,2,0,0,0,0|1,0,1]=4 9408 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,2,0,0,0,0|0,0,0]=2 9409 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,2,0,0,0,0|1,0,0]=3 9410 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,2,0,0,0,0|1,0,0]=3 9411 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,2,0,0,0,0|0,0,0]=2 9412 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,2,0,0,0,0|1,0,0]=3 9413 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,2,0,0,0,0|1,0,0]=3 9414 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,2,0,0,0,0|1,0,1]=4 9415 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,2,0,0,0,0|1,0,1]=4 9416 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,2,0,0,0,0|1,0,1]=4 9417 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,2,0,0,0,0|2,0,0]=4 9418 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,2,0,0,0,0|2,0,0]=4 9419 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,2,0,0,0,0|0,0,0]=2 9420 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,2,0,0,0,0|0,0,0]=2 9421 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,2,0,0,0,0|0,0,0]=2 9422 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,2,0,0,0,0|0,0,0]=2 9423 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,2,0,0,0,0|0,0,0]=2 9424 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,2,0,0,0,0|1,0,1]=4 9425 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,2,0,0,0,0|1,0,1]=4 9426 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,2,0,0,0,0|1,0,1]=4 9427 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,2,0,0,0,0|1,0,1]=4 9428 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,2,0,0,0,0|1,0,1]=4 9429 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,2,0,0,0,0|0,0,0]=2 9430 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,2,0,0,0,0|0,1,0]=3 9431 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,2,0,0,0,0|1,0,1]=4 9432 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,2,0,0,0,0|1,0,1]=4 9433 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,2,0,0,0,0|1,0,1]=4 9434 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,2,0,0,0,0|0,0,0]=2 9435 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,2,0,0,0,0|1,0,1]=4 9436 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,2,0,0,0,0|1,0,1]=4 9437 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,2,0,0,0,0|1,0,0]=3 9438 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,2,0,0,0,0|1,0,0]=3 9439 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,2,0,0,0,0|1,0,0]=3 9440 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,2,0,0,0,0|1,0,0]=3 9441 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,2,0,0,0,0|1,0,0]=3 9442 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,2,0,0,0,0|1,0,1]=4 9443 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,2,0,0,0,0|1,0,1]=4 9444 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,2,0,0,0,0|1,0,1]=4 9445 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,2,0,0,0,0|1,0,1]=4 9446 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,2,0,0,0,0|1,0,1]=4 9447 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,2,0,0,0,0|1,0,1]=4 9448 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,2,0,0,0,0|0,0,2]=4 9449 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,2,0,0,0,0|0,0,2]=4 9450 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,2,0,0,0,0|0,0,2]=4 9451 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,2,0,0,0,0|0,0,2]=4 9452 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,2,0,0,0,0|0,0,2]=4 9453 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,2,0,0,0,0|0,0,2]=4 9454 B9R0.2 CCOCCNC[N+](=O)[O-] 34a_102516460346_100000761209 [0,2,0,0,0,0|2,0,0]=4 9455 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,2,0,0,0,0|1,0,0]=3 9456 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,2,0,0,0,0|0,0,0]=2 9457 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,2,0,0,0,0|1,0,0]=3 9458 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,2,0,0,0,0|1,0,0]=3 9459 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,2,0,0,0,0|1,0,0]=3 9460 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,2,0,0,0,0|1,0,0]=3 9461 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,2,0,0,0,0|1,0,1]=4 9462 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,2,0,0,0,0|1,0,1]=4 9463 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,2,0,0,0,0|1,0,1]=4 9464 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,2,0,0,0,0|1,0,1]=4 9465 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,2,0,0,0,0|1,0,1]=4 9466 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,2,0,0,0,0|1,0,1]=4 9467 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,2,0,0,0,0|1,0,1]=4 9468 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,2,0,0,0,0|0,0,2]=4 9469 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,2,0,0,0,0|0,0,2]=4 9470 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,2,0,0,0,0|1,0,1]=4 9471 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,2,0,0,0,0|1,0,1]=4 9472 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,2,0,0,0,0|0,0,2]=4 9473 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,2,0,0,0,0|0,0,2]=4 9474 B9R0.2 CCOCCOC[N+](=O)[O-] 34a_100000210136_100000761209 [0,2,0,0,0,0|2,0,0]=4 9475 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,2,0,0,0,0|1,0,0]=3 9476 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,2,0,0,0,0|1,0,0]=3 9477 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,2,0,0,0,0|1,0,0]=3 9478 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,2,0,0,0,0|1,0,0]=3 9479 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,2,0,0,0,0|1,0,1]=4 9480 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,2,0,0,0,0|1,0,1]=4 9481 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,2,0,0,0,0|1,0,1]=4 9482 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,2,0,0,0,0|1,0,1]=4 9483 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,2,0,0,0,0|0,0,2]=4 9484 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,2,0,0,0,0|0,0,2]=4 9485 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,2,0,0,0,0|0,0,2]=4 9486 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,2,0,0,0,0|0,0,2]=4 9487 B9R0.2 CCOCCSC[N+](=O)[O-] 62a_100000210147_100000761209 [0,2,0,0,0,0|2,0,0]=4 9488 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,2,0,0,0,0|2,0,0]=4 9489 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [0,2,0,0,0,0|1,0,1]=4 9490 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [0,2,0,0,0,0|1,0,1]=4 9491 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,2,0,0,0,0|0,0,0]=2 9492 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,2,0,0,0,0|0,0,0]=2 9493 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,2,0,0,0,0|1,0,0]=3 9494 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,2,0,0,0,0|1,0,0]=3 9495 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,2,0,0,0,0|1,0,1]=4 9496 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,2,0,0,0,0|1,0,1]=4 9497 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,2,0,0,0,0|0,0,2]=4 9498 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,2,0,0,0,0|0,0,2]=4 9499 B9R0.2 CCOCSCCN(C)C 62a_100000739092_100000755713 [0,2,0,0,0,0|2,0,0]=4 9500 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,2,0,0,0,0|1,0,0]=3 9501 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,2,0,0,0,0|1,0,0]=3 9502 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,2,0,0,0,0|0,0,0]=2 9503 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,2,0,0,0,0|0,0,0]=2 9504 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,2,0,0,0,0|1,0,1]=4 9505 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,2,0,0,0,0|1,0,1]=4 9506 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,2,0,0,0,0|2,0,0]=4 9507 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,2,0,0,0,0|0,0,0]=2 9508 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,2,0,0,0,0|0,0,0]=2 9509 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,2,0,0,0,0|0,1,0]=3 9510 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,2,0,0,0,0|0,1,0]=3 9511 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,2,0,0,0,0|1,0,1]=4 9512 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,2,0,0,0,0|1,0,1]=4 9513 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,2,0,0,0,0|0,0,0]=2 9514 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,2,0,0,0,0|0,0,0]=2 9515 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,2,0,0,0,0|1,0,0]=3 9516 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,2,0,0,0,0|1,0,0]=3 9517 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,2,0,0,0,0|1,0,0]=3 9518 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [0,2,0,0,0,0|1,0,1]=4 9519 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [0,2,0,0,0,0|1,0,1]=4 9520 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [0,2,0,0,0,0|1,0,1]=4 9521 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [0,2,0,0,0,0|1,0,1]=4 9522 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,2,0,0,0,0|0,0,2]=4 9523 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,2,0,0,0,0|0,0,2]=4 9524 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,2,0,0,0,0|0,0,2]=4 9525 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,2,0,0,0,0|0,0,2]=4 9526 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,2,0,0,0,0|0,0,0]=2 9527 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,2,0,0,0,0|1,0,0]=3 9528 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,2,0,0,0,0|1,0,0]=3 9529 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,2,0,0,0,0|1,0,0]=3 9530 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,2,0,0,0,0|1,0,0]=3 9531 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,2,0,0,0,0|1,0,0]=3 9532 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [0,2,0,0,0,0|1,0,1]=4 9533 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [0,2,0,0,0,0|1,0,1]=4 9534 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [0,2,0,0,0,0|1,0,1]=4 9535 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [0,2,0,0,0,0|1,0,1]=4 9536 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [0,2,0,0,0,0|1,0,1]=4 9537 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,2,0,0,0,0|0,0,2]=4 9538 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,2,0,0,0,0|0,0,2]=4 9539 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [0,2,0,0,0,0|1,0,1]=4 9540 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [0,2,0,0,0,0|1,0,1]=4 9541 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,2,0,0,0,0|0,0,2]=4 9542 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,2,0,0,0,0|0,0,2]=4 9543 B9R0.2 CCSCCOC[N+](=O)[O-] 34a_100000212035_100000761209 [0,2,0,0,0,0|2,0,0]=4 9544 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,2,0,0,0,0|1,0,0]=3 9545 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,2,0,0,0,0|1,0,0]=3 9546 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,2,0,0,0,0|1,0,0]=3 9547 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,2,0,0,0,0|1,0,0]=3 9548 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [0,2,0,0,0,0|1,0,1]=4 9549 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [0,2,0,0,0,0|1,0,1]=4 9550 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,2,0,0,0,0|0,0,2]=4 9551 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,2,0,0,0,0|0,0,2]=4 9552 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,2,0,0,0,0|0,0,2]=4 9553 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,2,0,0,0,0|0,0,2]=4 9554 B9R0.2 CCSCCSC[N+](=O)[O-] 62a_100000757381_100000761209 [0,2,0,0,0,0|2,0,0]=4 9555 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,2,0,0,0,0|2,0,0]=4 9556 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,2,0,0,0,0|2,0,0]=4 9557 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,2,0,0,0,0|2,0,0]=4 9558 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,2,0,0,0,0|2,0,0]=4 9559 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,2,0,0,0,0|2,0,0]=4 9560 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,2,0,0,0,0|2,0,0]=4 9561 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,2,0,0,0,0|2,0,0]=4 9562 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,2,0,0,0,0|2,0,0]=4 9563 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [0,2,0,0,0,0|2,0,0]=4 9564 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [0,2,0,0,0,0|2,0,0]=4 9565 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,2,0,0,0,0|2,0,0]=4 9566 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [0,2,0,0,0,0|2,0,0]=4 9567 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,2,0,0,0,0|2,0,0]=4 9568 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,2,0,0,0,0|1,0,0]=3 9569 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,2,0,0,0,0|1,0,0]=3 9570 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,2,0,0,0,0|1,0,0]=3 9571 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,2,0,0,0,0|1,0,1]=4 9572 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,2,0,0,0,0|1,0,1]=4 9573 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,2,0,0,0,0|1,0,1]=4 9574 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,2,0,0,0,0|1,0,1]=4 9575 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,2,0,0,0,0|1,0,1]=4 9576 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,2,0,0,0,0|0,0,0]=2 9577 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,2,0,0,0,0|0,0,0]=2 9578 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,2,0,0,0,0|0,0,0]=2 9579 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,2,0,0,0,0|0,0,0]=2 9580 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,2,0,0,0,0|2,0,0]=4 9581 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,2,0,0,0,0|2,0,0]=4 9582 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,2,0,0,0,0|0,0,0]=2 9583 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,2,0,0,0,0|0,0,0]=2 9584 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,2,0,0,0,0|0,0,0]=2 9585 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,2,0,0,0,0|1,0,0]=3 9586 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,2,0,0,0,0|1,0,0]=3 9587 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,2,0,0,0,0|1,0,1]=4 9588 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,2,0,0,0,0|1,0,1]=4 9589 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,2,0,0,0,0|1,0,1]=4 9590 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,2,0,0,0,0|0,0,2]=4 9591 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,2,0,0,0,0|0,0,2]=4 9592 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,2,0,0,0,0|2,0,0]=4 9593 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,2,0,0,0,0|1,0,0]=3 9594 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,2,0,0,0,0|0,0,0]=2 9595 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,2,0,0,0,0|1,0,0]=3 9596 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,2,0,0,0,0|1,0,0]=3 9597 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,2,0,0,0,0|1,0,0]=3 9598 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,2,0,0,0,0|0,0,0]=2 9599 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,2,0,0,0,0|1,0,0]=3 9600 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,2,0,0,0,0|1,0,1]=4 9601 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,2,0,0,0,0|1,0,1]=4 9602 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,2,0,0,0,0|1,0,1]=4 9603 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,2,0,0,0,0|1,0,1]=4 9604 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,2,0,0,0,0|1,0,1]=4 9605 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,2,0,0,0,0|1,0,1]=4 9606 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,2,0,0,0,0|0,0,0]=2 9607 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,2,0,0,0,0|0,0,0]=2 9608 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,2,0,0,0,0|0,0,0]=2 9609 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,2,0,0,0,0|1,0,1]=4 9610 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,2,0,0,0,0|1,0,1]=4 9611 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,2,0,0,0,0|2,0,0]=4 9612 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,2,0,0,0,0|0,0,0]=2 9613 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,2,0,0,0,0|1,0,1]=4 9614 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,2,0,0,0,0|1,0,1]=4 9615 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,2,0,0,0,0|1,0,0]=3 9616 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,2,0,0,0,0|1,0,0]=3 9617 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,2,0,0,0,0|1,0,0]=3 9618 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,2,0,0,0,0|1,0,0]=3 9619 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,2,0,0,0,0|1,0,1]=4 9620 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,2,0,0,0,0|1,0,1]=4 9621 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,2,0,0,0,0|1,0,1]=4 9622 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,2,0,0,0,0|1,0,1]=4 9623 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,2,0,0,0,0|0,0,2]=4 9624 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,2,0,0,0,0|0,0,2]=4 9625 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,2,0,0,0,0|0,0,2]=4 9626 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,2,0,0,0,0|0,0,2]=4 9627 B9R0.2 COCCCNC[N+](=O)[O-] 34a_100150723488_100000761209 [0,2,0,0,0,0|2,0,0]=4 9628 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,2,0,0,0,0|1,0,0]=3 9629 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,2,0,0,0,0|0,0,0]=2 9630 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,2,0,0,0,0|1,0,0]=3 9631 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,2,0,0,0,0|1,0,0]=3 9632 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,2,0,0,0,0|1,0,1]=4 9633 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,2,0,0,0,0|1,0,1]=4 9634 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,2,0,0,0,0|1,0,1]=4 9635 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,2,0,0,0,0|1,0,1]=4 9636 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,2,0,0,0,0|0,0,2]=4 9637 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,2,0,0,0,0|1,0,1]=4 9638 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,2,0,0,0,0|1,0,1]=4 9639 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,2,0,0,0,0|0,0,2]=4 9640 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,2,0,0,0,0|2,0,0]=4 9641 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,2,0,0,0,0|1,0,0]=3 9642 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,2,0,0,0,0|1,0,0]=3 9643 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,2,0,0,0,0|1,0,0]=3 9644 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,2,0,0,0,0|1,0,0]=3 9645 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,2,0,0,0,0|1,0,1]=4 9646 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,2,0,0,0,0|1,0,1]=4 9647 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,2,0,0,0,0|0,0,2]=4 9648 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,2,0,0,0,0|0,0,2]=4 9649 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,2,0,0,0,0|0,0,2]=4 9650 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,2,0,0,0,0|0,0,2]=4 9651 B9R0.2 COCCCSC[N+](=O)[O-] 62a_100000709357_100000761209 [0,2,0,0,0,0|2,0,0]=4 9652 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [0,2,0,0,0,0|1,0,1]=4 9653 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [0,2,0,0,0,0|1,0,1]=4 9654 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,2,0,0,0,0|1,0,0]=3 9655 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,2,0,0,0,0|1,0,1]=4 9656 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,2,0,0,0,0|1,0,1]=4 9657 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,2,0,0,0,0|0,0,2]=4 9658 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,2,0,0,0,0|0,0,2]=4 9659 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,2,0,0,0,0|2,0,0]=4 9660 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [0,2,0,0,0,0|1,0,1]=4 9661 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [0,2,0,0,0,0|1,0,1]=4 9662 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,2,0,0,0,0|0,0,0]=2 9663 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,2,0,0,0,0|0,0,0]=2 9664 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,2,0,0,0,0|0,0,0]=2 9665 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,2,0,0,0,0|0,0,0]=2 9666 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,2,0,0,0,0|1,0,0]=3 9667 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,2,0,0,0,0|1,0,0]=3 9668 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,2,0,0,0,0|1,0,0]=3 9669 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,2,0,0,0,0|0,0,0]=2 9670 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,2,0,0,0,0|1,0,1]=4 9671 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,2,0,0,0,0|1,0,1]=4 9672 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,2,0,0,0,0|1,0,1]=4 9673 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,2,0,0,0,0|1,0,1]=4 9674 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,2,0,0,0,0|0,0,2]=4 9675 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [0,2,0,0,0,0|2,0,0]=4 9676 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [0,2,0,0,0,0|2,0,0]=4 9677 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,2,0,0,0,0|1,0,1]=4 9678 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,2,0,0,0,0|1,0,0]=3 9679 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [0,2,0,0,0,0|1,0,1]=4 9680 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [0,2,0,0,0,0|1,0,1]=4 9681 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,2,0,0,0,0|0,0,0]=2 9682 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,2,0,0,0,0|0,0,0]=2 9683 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,2,0,0,0,0|1,0,0]=3 9684 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,2,0,0,0,0|1,0,0]=3 9685 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,2,0,0,0,0|1,0,1]=4 9686 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,2,0,0,0,0|1,0,1]=4 9687 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,2,0,0,0,0|0,0,2]=4 9688 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,2,0,0,0,0|0,0,2]=4 9689 B9R0.2 COCCSCCN(C)C 62a_100000233755_100000755713 [0,2,0,0,0,0|2,0,0]=4 9690 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,2,0,0,0,0|1,0,0]=3 9691 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,2,0,0,0,0|1,0,0]=3 9692 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,2,0,0,0,0|1,0,1]=4 9693 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,2,0,0,0,0|1,0,0]=3 9694 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,2,0,0,0,0|1,0,0]=3 9695 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,2,0,0,0,0|1,0,0]=3 9696 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [0,2,0,0,0,0|1,0,1]=4 9697 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [0,2,0,0,0,0|1,0,1]=4 9698 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,2,0,0,0,0|0,0,0]=2 9699 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,2,0,0,0,0|0,0,0]=2 9700 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,2,0,0,0,0|1,0,0]=3 9701 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,2,0,0,0,0|1,0,0]=3 9702 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,2,0,0,0,0|1,0,1]=4 9703 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,2,0,0,0,0|1,0,1]=4 9704 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,2,0,0,0,0|0,0,2]=4 9705 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,2,0,0,0,0|0,0,2]=4 9706 B9R0.2 COCSCCCN(C)C 62a_100000766300_100000757444 [0,2,0,0,0,0|2,0,0]=4 9707 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,2,0,0,0,0|1,0,0]=3 9708 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,2,0,0,0,0|1,0,0]=3 9709 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,2,0,0,0,0|2,0,0]=4 9710 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,2,0,0,0,0|2,0,0]=4 9711 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,2,0,0,0,0|1,0,0]=3 9712 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,2,0,0,0,0|1,0,0]=3 9713 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,2,0,0,0,0|2,0,0]=4 9714 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,2,0,0,0,0|2,0,0]=4 9715 B9R0.2 CS(=O)CCCNCC#N 2230a_200000753449_100011215382 [0,2,0,0,0,0|1,0,1]=4 9716 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,2,0,0,0,0|1,0,1]=4 9717 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,2,0,0,0,0|1,0,0]=3 9718 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,2,0,0,0,0|1,0,0]=3 9719 B9R0.2 CSCCC=NNC(=O)C 4a_100000189765_100000210997 [0,2,0,0,0,0|1,0,1]=4 9720 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,2,0,0,0,0|1,0,0]=3 9721 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,2,0,0,0,0|1,0,0]=3 9722 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,2,0,0,0,0|1,0,1]=4 9723 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,2,0,0,0,0|1,0,1]=4 9724 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,2,0,0,0,0|0,0,0]=2 9725 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,2,0,0,0,0|0,0,0]=2 9726 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,2,0,0,0,0|1,0,1]=4 9727 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,2,0,0,0,0|1,0,1]=4 9728 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,2,0,0,0,0|2,0,0]=4 9729 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,2,0,0,0,0|0,0,0]=2 9730 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,2,0,0,0,0|0,0,0]=2 9731 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,2,0,0,0,0|1,0,0]=3 9732 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,2,0,0,0,0|1,0,1]=4 9733 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,2,0,0,0,0|1,0,1]=4 9734 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,2,0,0,0,0|0,0,2]=4 9735 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,2,0,0,0,0|0,0,2]=4 9736 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,2,0,0,0,0|1,0,0]=3 9737 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,2,0,0,0,0|1,0,0]=3 9738 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,2,0,0,0,0|1,0,0]=3 9739 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,2,0,0,0,0|1,0,1]=4 9740 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,2,0,0,0,0|1,0,1]=4 9741 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,2,0,0,0,0|0,0,2]=4 9742 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,2,0,0,0,0|0,0,2]=4 9743 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,2,0,0,0,0|0,0,2]=4 9744 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,2,0,0,0,0|0,0,2]=4 9745 B9R0.2 CSCCCOC[N+](=O)[O-] 34a_100000690336_100000761209 [0,2,0,0,0,0|2,0,0]=4 9746 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [0,2,0,0,0,0|1,0,1]=4 9747 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [0,2,0,0,0,0|1,0,1]=4 9748 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,2,0,0,0,0|1,0,0]=3 9749 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,2,0,0,0,0|1,0,1]=4 9750 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,2,0,0,0,0|1,0,1]=4 9751 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,2,0,0,0,0|0,0,2]=4 9752 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,2,0,0,0,0|0,0,2]=4 9753 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,2,0,0,0,0|2,0,0]=4 9754 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [0,2,0,0,0,0|1,0,1]=4 9755 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [0,2,0,0,0,0|1,0,1]=4 9756 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [0,2,0,0,0,0|1,0,1]=4 9757 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,2,0,0,0,0|0,0,0]=2 9758 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,2,0,0,0,0|0,0,0]=2 9759 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,2,0,0,0,0|0,0,0]=2 9760 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,2,0,0,0,0|1,0,0]=3 9761 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,2,0,0,0,0|1,0,0]=3 9762 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,2,0,0,0,0|1,0,0]=3 9763 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,2,0,0,0,0|1,0,0]=3 9764 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,2,0,0,0,0|1,0,1]=4 9765 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,2,0,0,0,0|1,0,1]=4 9766 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,2,0,0,0,0|1,0,1]=4 9767 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,2,0,0,0,0|1,0,1]=4 9768 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,2,0,0,0,0|1,0,1]=4 9769 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,2,0,0,0,0|0,0,2]=4 9770 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,2,0,0,0,0|0,0,2]=4 9771 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [0,2,0,0,0,0|2,0,0]=4 9772 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,2,0,0,0,0|1,0,1]=4 9773 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,2,0,0,0,0|1,0,0]=3 9774 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [0,2,0,0,0,0|1,0,1]=4 9775 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [0,2,0,0,0,0|1,0,1]=4 9776 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,2,0,0,0,0|0,0,0]=2 9777 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,2,0,0,0,0|0,0,0]=2 9778 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,2,0,0,0,0|1,0,0]=3 9779 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,2,0,0,0,0|1,0,0]=3 9780 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,2,0,0,0,0|1,0,1]=4 9781 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,2,0,0,0,0|1,0,1]=4 9782 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,2,0,0,0,0|0,0,2]=4 9783 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,2,0,0,0,0|0,0,2]=4 9784 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,2,0,0,0,0|2,0,0]=4 9785 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,2,0,0,0,0|1,0,0]=3 9786 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,2,0,0,0,0|1,0,0]=3 9787 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,2,0,0,0,0|1,0,0]=3 9788 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,2,0,0,0,0|1,0,1]=4 9789 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,2,0,0,0,0|1,0,1]=4 9790 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,2,0,0,0,0|1,0,0]=3 9791 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,2,0,0,0,0|1,0,0]=3 9792 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,2,0,0,0,0|2,0,0]=4 9793 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,2,0,0,0,0|0,0,0]=2 9794 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,2,0,0,0,0|1,0,1]=4 9795 B9R0.2 CSCOCCC[N+](=O)[O-] 34a_200000037920_100011218213 [0,2,0,0,0,0|2,0,0]=4 9796 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,2,0,0,0,0|1,0,0]=3 9797 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,2,0,0,0,0|2,0,0]=4 9798 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,2,0,0,0,0|1,0,0]=3 9799 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,2,0,0,0,0|1,0,0]=3 9800 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [0,2,0,0,0,0|1,0,1]=4 9801 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [0,2,0,0,0,0|1,0,1]=4 9802 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,2,0,0,0,0|0,0,0]=2 9803 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,2,0,0,0,0|0,0,0]=2 9804 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,2,0,0,0,0|1,0,0]=3 9805 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,2,0,0,0,0|1,0,0]=3 9806 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,2,0,0,0,0|1,0,1]=4 9807 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,2,0,0,0,0|1,0,1]=4 9808 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,2,0,0,0,0|0,0,2]=4 9809 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,2,0,0,0,0|0,0,2]=4 9810 B9R0.2 CSCSCCCN(C)C 62a_100011218213_100000757444 [0,2,0,0,0,0|2,0,0]=4 9811 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,2,0,0,0,0|1,0,0]=3 9812 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,2,0,0,0,0|1,0,0]=3 9813 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,2,0,0,0,0|2,0,0]=4 9814 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,2,0,0,0,0|2,0,0]=4 9815 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,2,0,0,0,0|1,0,0]=3 9816 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,2,0,0,0,0|1,0,0]=3 9817 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,2,0,0,0,0|2,0,0]=4 9818 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,2,0,0,0,0|2,0,0]=4 9819 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,2,0,0,0,0|1,0,1]=4 9820 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,2,0,0,0,0|1,0,1]=4 9821 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,2,0,0,0,0|1,0,1]=4 9822 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,2,0,0,0,0|1,0,1]=4 9823 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,2,0,0,0,0|1,0,1]=4 9824 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,2,0,0,0,0|1,0,1]=4 9825 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,2,0,0,0,0|0,0,2]=4 9826 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,2,0,0,0,0|0,0,2]=4 9827 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,2,0,0,0,0|0,0,2]=4 9828 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,2,0,0,0,0|0,0,2]=4 9829 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,2,0,0,0,0|0,0,2]=4 9830 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,2,0,0,0,0|0,0,2]=4 9831 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,2,0,0,0,0|0,0,2]=4 9832 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,2,0,0,0,0|0,0,2]=4 9833 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,2,0,0,0,0|0,0,2]=4 9834 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,2,0,0,0,0|0,0,2]=4 9835 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,2,0,0,0,0|0,0,2]=4 9836 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,2,0,0,0,0|0,0,2]=4 9837 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,2,0,0,0,0|0,0,2]=4 9838 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,2,0,0,0,0|1,0,1]=4 9839 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,2,0,0,0,0|1,0,1]=4 9840 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,2,0,0,0,0|1,0,1]=4 9841 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,2,0,0,0,0|1,0,1]=4 9842 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,2,0,0,0,0|1,0,1]=4 9843 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,2,0,0,0,0|1,0,1]=4 9844 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,2,0,0,0,0|1,0,1]=4 9845 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,2,0,0,0,0|1,0,1]=4 9846 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,2,0,0,0,0|1,0,1]=4 9847 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,2,0,0,0,0|1,0,1]=4 9848 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,2,0,0,0,0|1,0,1]=4 9849 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,2,0,0,0,0|1,0,0]=3 9850 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,2,0,0,0,0|1,0,0]=3 9851 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,2,0,0,0,0|1,0,0]=3 9852 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,2,0,0,0,0|1,0,1]=4 9853 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,2,0,0,0,0|1,0,0]=3 9854 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,2,0,0,0,0|1,0,0]=3 9855 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,2,0,0,0,0|1,0,0]=3 9856 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,2,0,0,0,0|1,0,0]=3 9857 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,2,0,0,0,0|1,0,0]=3 9858 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,2,0,0,0,0|1,0,1]=4 9859 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,2,0,0,0,0|1,0,1]=4 9860 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,2,0,0,0,0|1,0,0]=3 9861 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,2,0,0,0,0|1,0,0]=3 9862 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,2,0,0,0,0|1,0,0]=3 9863 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,2,0,0,0,0|1,0,0]=3 9864 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,2,0,0,0,0|1,0,0]=3 9865 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,2,0,0,0,0|1,0,0]=3 9866 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,2,0,0,0,0|1,0,0]=3 9867 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,2,0,0,0,0|1,0,0]=3 9868 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,2,0,0,0,0|1,0,0]=3 9869 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,2,0,0,0,0|1,0,0]=3 9870 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,2,0,0,0,0|1,0,0]=3 9871 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,2,0,0,0,0|1,0,0]=3 9872 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,2,0,0,0,0|1,0,0]=3 9873 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,2,0,0,0,0|1,0,0]=3 9874 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,2,0,0,0,0|1,0,0]=3 9875 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,2,0,0,0,0|1,0,0]=3 9876 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,2,0,0,0,0|1,0,0]=3 9877 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,2,0,0,0,0|1,0,1]=4 9878 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,2,0,0,0,0|1,0,0]=3 9879 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,2,0,0,0,0|1,0,0]=3 9880 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,2,0,0,0,0|1,0,0]=3 9881 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,2,0,0,0,0|1,0,0]=3 9882 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,2,0,0,0,0|1,0,0]=3 9883 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,2,0,0,0,0|1,0,0]=3 9884 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,2,0,0,0,0|1,0,0]=3 9885 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,2,0,0,0,0|1,0,0]=3 9886 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,2,0,0,0,0|1,0,0]=3 9887 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,2,0,0,0,0|1,0,0]=3 9888 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,2,0,0,0,0|2,0,0]=4 9889 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,2,0,0,0,0|2,0,0]=4 9890 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,2,0,0,0,0|1,0,1]=4 9891 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,2,0,0,0,0|1,0,1]=4 9892 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,2,0,0,0,0|1,0,0]=3 9893 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,2,0,0,0,0|1,0,0]=3 9894 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,2,0,0,0,0|1,0,0]=3 9895 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,2,0,0,0,0|1,0,0]=3 9896 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,2,0,0,0,0|2,0,0]=4 9897 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,2,0,0,0,0|2,0,0]=4 9898 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,2,0,0,0,0|2,0,0]=4 9899 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,2,0,0,0,0|2,0,0]=4 9900 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,2,0,0,0,0|2,0,0]=4 9901 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,2,0,0,0,0|2,0,0]=4 9902 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,2,0,0,0,0|2,0,0]=4 9903 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,2,0,0,0,0|2,0,0]=4 9904 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,2,0,0,0,0|2,0,0]=4 9905 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,2,0,0,0,0|2,0,0]=4 9906 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,2,0,0,0,0|2,0,0]=4 9907 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,2,0,0,0,0|2,0,0]=4 9908 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,2,0,0,0,0|2,0,0]=4 9909 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,2,0,0,0,0|2,0,0]=4 9910 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,2,0,0,0,0|2,0,0]=4 9911 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,2,0,0,0,0|2,0,0]=4 9912 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,2,0,0,0,0|2,0,0]=4 9913 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,2,0,0,0,0|2,0,0]=4 9914 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,2,0,0,0,0|1,0,0]=3 9915 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,2,0,0,0,0|1,0,0]=3 9916 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [0,2,0,0,0,0|2,0,0]=4 9917 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,2,0,0,0,0|1,0,0]=3 9918 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,2,0,0,0,0|1,0,0]=3 9919 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,2,0,0,0,0|2,0,0]=4 9920 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,2,0,0,0,0|2,0,0]=4 9921 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,2,0,0,0,0|1,0,0]=3 9922 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,2,0,0,0,0|1,0,0]=3 9923 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,2,0,0,0,0|2,0,0]=4 9924 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,2,0,0,0,0|2,0,0]=4 9925 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,2,0,0,0,0|2,0,0]=4 9926 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,2,0,0,0,0|1,0,0]=3 9927 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,2,0,0,0,0|1,0,0]=3 9928 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,2,0,0,0,0|1,0,0]=3 9929 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,2,0,0,0,0|1,0,0]=3 9930 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,2,0,0,0,0|1,0,0]=3 9931 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,2,0,0,0,0|1,0,0]=3 9932 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,2,0,0,0,0|1,0,0]=3 9933 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,2,0,0,0,0|1,0,0]=3 9934 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,2,0,0,0,0|1,0,0]=3 9935 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,2,0,0,0,0|1,0,1]=4 9936 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,2,0,0,0,0|1,0,1]=4 9937 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,2,0,0,0,0|1,0,1]=4 9938 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,2,0,0,0,0|2,0,0]=4 9939 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,2,0,0,0,0|2,0,0]=4 9940 B9R0.2 O=[N+]([O-])CCCOCCF 34a_200000037920_100011217306 [0,2,0,0,0,0|2,0,0]=4 9941 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,2,0,0,0,0|2,0,0]=4 9942 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,2,0,0,0,0|2,0,0]=4 9943 B9R0.2 O=[N+]([O-])COCCCCBr 34a_100011216708_100000761209 [0,2,0,0,0,0|2,0,0]=4 9944 B9R0.2 O=[N+]([O-])COCCCCCl 34a_100000210776_100000761209 [0,2,0,0,0,0|2,0,0]=4 9945 B9R0.2 O=[N+]([O-])COCCCCF 34a_100011995726_100000761209 [0,2,0,0,0,0|2,0,0]=4 9946 B9R0.2 O=[N+]([O-])COCCCCI 34a_200012148704_100000761209 [0,2,0,0,0,0|2,0,0]=4 9947 B9R0.2 O=[N+]([O-])CSCCCCF 62a_100000729493_100000761209 [0,2,0,0,0,0|2,0,0]=4 9948 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,2,0,0,0,0|2,0,0]=4 9949 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,2,0,0,0,0|0,0,0]=2 9950 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,2,0,0,0,0|1,0,0]=3 9951 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,2,0,0,0,0|1,0,0]=3 9952 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,2,0,0,0,0|1,0,0]=3 9953 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,2,0,0,0,0|1,0,0]=3 9954 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,2,0,0,0,0|1,0,0]=3 9955 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,2,0,0,0,0|1,0,0]=3 9956 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,2,0,0,0,0|2,0,0]=4 9957 B9R0.38 CCCCCNC(C)(C)C 2230a_100000715429_100000210326 [0,2,0,0,0,0|1,0,1]=4 9958 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [0,2,0,0,0,0|1,0,0]=3 9959 B9R0.38 CCCCCOC(C)(C)C 34a_100000210253_100000210625 [0,2,0,0,0,0|1,0,1]=4 9960 B9R0.38 CCCCCOC(C)(C)C 34a_100015890283_100000718602 [0,2,0,0,0,0|1,0,1]=4 9961 B9R0.38 CCCCCOC(C)(C)C 7a_100015890283_100000210326 [0,2,0,0,0,0|1,0,1]=4 9962 B9R0.38 CCCCCSC(C)(C)C 62a_100000210326_100000211941 [0,2,0,0,0,0|1,0,1]=4 9963 B9R0.38 CCCCCSC(C)(C)C 62a_100000211941_100000210326 [0,2,0,0,0,0|1,0,1]=4 9964 B9R0.38 CCCCNCC(C)(C)C 2230a_100000743828_100000210211 [0,2,0,0,0,0|1,0,1]=4 9965 B9R0.38 CCCCNCC(C)(C)C 270004a_100000102301_100011204126 [0,2,0,0,0,0|1,0,1]=4 9966 B9R0.38 CCCCNCC(C)(C)F 2230a_100020643315_100000210211 [0,2,0,0,0,0|1,0,1]=4 9967 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [0,2,0,0,0,0|0,0,2]=4 9968 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [0,2,0,0,0,0|0,0,2]=4 9969 B9R0.38 CCCCNC[Si](C)(C)C 2230a_100000102301_100000037933 [0,2,0,0,0,0|1,1,0]=4 9970 B9R0.38 CCCCNC[Si](C)(C)C 7a_106832991798_100000233785 [0,2,0,0,0,0|1,1,0]=4 9971 B9R0.38 CCCCNNS(=O)(=O)C 40a_100025702795_100000738038 [0,2,0,0,0,0|2,0,0]=4 9972 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [0,2,0,0,0,0|1,0,1]=4 9973 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [0,2,0,0,0,0|1,0,1]=4 9974 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [0,2,0,0,0,0|1,0,1]=4 9975 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [0,2,0,0,0,0|0,0,2]=4 9976 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [0,2,0,0,0,0|0,0,2]=4 9977 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [0,2,0,0,0,0|1,0,1]=4 9978 B9R0.38 CCCCOCS(=O)(=O)[O-] 34a_100000210227_100009817235 [0,2,0,0,0,0|2,0,0]=4 9979 B9R0.38 CCCCOC[Si](C)(C)C 7a_100000210227_100000233785 [0,2,0,0,0,0|1,1,0]=4 9980 B9R0.38 CCCCSCC(C)(C)C 62a_100000210211_100011219605 [0,2,0,0,0,0|1,0,1]=4 9981 B9R0.38 CCCCSCC(C)(C)C 62a_100011219605_100000210210 [0,2,0,0,0,0|1,0,1]=4 9982 B9R0.38 CCCCSCC(C)(C)F 62a_100000210211_100011997219 [0,2,0,0,0,0|1,0,1]=4 9983 B9R0.38 CCCCSCC(C)(C)F 62a_100011997219_100000210210 [0,2,0,0,0,0|1,0,1]=4 9984 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [0,2,0,0,0,0|0,0,2]=4 9985 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [0,2,0,0,0,0|0,0,2]=4 9986 B9R0.38 CCCCSCS(=O)(=O)N 62a_100000210211_100000741382 [0,2,0,0,0,0|2,0,0]=4 9987 B9R0.38 CCCCSCS(=O)(=O)N 62a_100000741382_100000210210 [0,2,0,0,0,0|2,0,0]=4 9988 B9R0.38 CCCCSCS(=O)(=O)[O-] 62a_100000210211_100009817235 [0,2,0,0,0,0|2,0,0]=4 9989 B9R0.38 CCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210210 [0,2,0,0,0,0|2,0,0]=4 9990 B9R0.38 CCCCSC[N+](C)(C)C 62a_100000210211_200000036245 [0,2,0,0,0,0|2,0,0]=4 9991 B9R0.38 CCCCSC[N+](C)(C)C 62a_200000036245_100000210210 [0,2,0,0,0,0|2,0,0]=4 9992 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000037933_100000210210 [0,2,0,0,0,0|1,1,0]=4 9993 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000210211_100000037933 [0,2,0,0,0,0|1,1,0]=4 9994 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [0,2,0,0,0,0|1,0,1]=4 9995 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [0,2,0,0,0,0|1,0,1]=4 9996 B9R0.38 CCCNCCS(=O)(=O)C 2230a_100000740961_100000210303 [0,2,0,0,0,0|1,0,0]=3 9997 B9R0.38 CCCNCCS(=O)(=O)C 34a_100000740961_100000210303 [0,2,0,0,0,0|1,0,0]=3 9998 B9R0.38 CCCNCCS(=O)(=O)N 2230a_100000738205_100000210303 [0,2,0,0,0,0|2,0,0]=4 9999 B9R0.38 CCCNCCS(=O)(=O)N 34a_100000738205_100000210303 [0,2,0,0,0,0|2,0,0]=4 10000 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [0,2,0,0,0,0|1,0,1]=4 10001 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [0,2,0,0,0,0|1,0,1]=4 10002 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,2,0,0,0,0|0,0,2]=4 10003 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000210258_100000731031 [0,2,0,0,0,0|1,0,0]=3 10004 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000211924_100000210303 [0,2,0,0,0,0|1,0,0]=3 10005 B9R0.38 CCCOCCS(=O)(=O)C 7a_100000211924_100000210303 [0,2,0,0,0,0|1,0,0]=3 10006 B9R0.38 CCCOCCS(=O)(=O)N 34a_100012334274_100000210303 [0,2,0,0,0,0|2,0,0]=4 10007 B9R0.38 CCCOCCS(=O)(=O)[O-] 34a_100000210258_100000762736 [0,2,0,0,0,0|2,0,0]=4 10008 B9R0.38 CCCOCC[N+](C)(C)C 34a_100000210258_100000085578 [0,2,0,0,0,0|2,0,0]=4 10009 B9R0.38 CCCOCC[N+](C)(C)C 7a_200020618287_100000210303 [0,2,0,0,0,0|2,0,0]=4 10010 B9R0.38 CCCOCC[Si](C)(C)C 34a_100000210258_200000733723 [0,2,0,0,0,0|1,1,0]=4 10011 B9R0.38 CCCOCC[Si](C)(C)C 7a_100000039746_100000210303 [0,2,0,0,0,0|1,1,0]=4 10012 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [0,2,0,0,0,0|1,0,1]=4 10013 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [0,2,0,0,0,0|1,0,1]=4 10014 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,2,0,0,0,0|0,0,2]=4 10015 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,2,0,0,0,0|0,0,2]=4 10016 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000210303_100000230027 [0,2,0,0,0,0|1,0,0]=3 10017 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000731031_100000210303 [0,2,0,0,0,0|1,0,0]=3 10018 B9R0.38 CCCSCCS(=O)(=O)[O-] 62a_100000210303_100000762736 [0,2,0,0,0,0|2,0,0]=4 10019 B9R0.38 CCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210303 [0,2,0,0,0,0|2,0,0]=4 10020 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000085578_100000210303 [0,2,0,0,0,0|2,0,0]=4 10021 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000210303_100000085578 [0,2,0,0,0,0|2,0,0]=4 10022 B9R0.38 CCCSCC[Si](C)(C)C 62a_100000210303_200000733723 [0,2,0,0,0,0|1,1,0]=4 10023 B9R0.38 CCCSCC[Si](C)(C)C 62a_200000733723_100000210303 [0,2,0,0,0,0|1,1,0]=4 10024 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [0,2,0,0,0,0|0,0,2]=4 10025 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100000742409_100000210202 [0,2,0,0,0,0|1,0,0]=3 10026 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100015525214_100000754308 [0,2,0,0,0,0|1,0,0]=3 10027 B9R0.38 CCNCCCS(=O)(=O)C 34a_100000742409_100000210202 [0,2,0,0,0,0|1,0,0]=3 10028 B9R0.38 CCNCCCS(=O)(=O)N 2230a_100015525214_100000750626 [0,2,0,0,0,0|2,0,0]=4 10029 B9R0.38 CCNCCC[N+](C)(C)C 2230a_100015525214_100016990835 [0,2,0,0,0,0|2,0,0]=4 10030 B9R0.38 CCNCCC[Si](C)(C)C 2230a_100015525214_100011219597 [0,2,0,0,0,0|1,1,0]=4 10031 B9R0.38 CCNCCNS(=O)(=O)C 2230a_100015525214_100000754112 [0,2,0,0,0,0|2,0,0]=4 10032 B9R0.38 CCNCCNS(=O)(=O)C 34a_100000752411_100000210202 [0,2,0,0,0,0|2,0,0]=4 10033 B9R0.38 CCNCCOS(=O)(=O)C 2230a_100015525214_200000036756 [0,2,0,0,0,0|2,0,0]=4 10034 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,2,0,0,0,0|0,0,2]=4 10035 B9R0.38 CCOCCCS(=O)(=O)C 34a_100000689940_100000210202 [0,2,0,0,0,0|1,0,0]=3 10036 B9R0.38 CCOCCCS(=O)(=O)C 34a_100121572206_100000754308 [0,2,0,0,0,0|1,0,0]=3 10037 B9R0.38 CCOCCCS(=O)(=O)C 7a_100000689940_100000210202 [0,2,0,0,0,0|1,0,0]=3 10038 B9R0.38 CCOCCCS(=O)(=O)N 34a_100121572206_100000750626 [0,2,0,0,0,0|2,0,0]=4 10039 B9R0.38 CCOCCCS(=O)(=O)[O-] 34a_100121572206_100009813499 [0,2,0,0,0,0|2,0,0]=4 10040 B9R0.38 CCOCCC[N+](C)(C)C 34a_100121572206_100016990835 [0,2,0,0,0,0|2,0,0]=4 10041 B9R0.38 CCOCCC[Si](C)(C)C 34a_100121572206_100011219597 [0,2,0,0,0,0|1,1,0]=4 10042 B9R0.38 CCOCCC[Si](C)(C)C 7a_200011215415_100000210202 [0,2,0,0,0,0|1,1,0]=4 10043 B9R0.38 CCOCCNS(=O)(=O)C 40a_100011200944_100000738038 [0,2,0,0,0,0|2,0,0]=4 10044 B9R0.38 CCOCCOS(=O)(=O)C 34a_100121572206_200000036756 [0,2,0,0,0,0|2,0,0]=4 10045 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [0,2,0,0,0,0|0,0,2]=4 10046 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [0,2,0,0,0,0|0,0,2]=4 10047 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000210202_100000754308 [0,2,0,0,0,0|1,0,0]=3 10048 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000754308_100000210202 [0,2,0,0,0,0|1,0,0]=3 10049 B9R0.38 CCSCCCS(=O)(=O)N 62a_100000210202_100000750626 [0,2,0,0,0,0|2,0,0]=4 10050 B9R0.38 CCSCCCS(=O)(=O)N 62a_100000750626_100000210202 [0,2,0,0,0,0|2,0,0]=4 10051 B9R0.38 CCSCCCS(=O)(=O)[O-] 62a_100000210202_100009813499 [0,2,0,0,0,0|2,0,0]=4 10052 B9R0.38 CCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210202 [0,2,0,0,0,0|2,0,0]=4 10053 B9R0.38 CCSCCC[N+](C)(C)C 62a_100000210202_100016990835 [0,2,0,0,0,0|2,0,0]=4 10054 B9R0.38 CCSCCC[N+](C)(C)C 62a_100016990835_100000210202 [0,2,0,0,0,0|2,0,0]=4 10055 B9R0.38 CCSCCC[Si](C)(C)C 62a_100000210202_100011219597 [0,2,0,0,0,0|1,1,0]=4 10056 B9R0.38 CCSCCC[Si](C)(C)C 62a_100011219597_100000210202 [0,2,0,0,0,0|1,1,0]=4 10057 B9R0.38 CCSCCNS(=O)(=O)C 40a_100000106463_100000738038 [0,2,0,0,0,0|2,0,0]=4 10058 B9R0.38 CCSCCNS(=O)(=O)C 62a_100000210202_100000754112 [0,2,0,0,0,0|2,0,0]=4 10059 B9R0.38 CCSCCNS(=O)(=O)C 62a_100000754112_100000210202 [0,2,0,0,0,0|2,0,0]=4 10060 B9R0.38 CCSCCOS(=O)(=O)C 62a_100000210202_200000036756 [0,2,0,0,0,0|2,0,0]=4 10061 B9R0.38 CCSCCOS(=O)(=O)C 62a_200000036756_100000210202 [0,2,0,0,0,0|2,0,0]=4 10062 B9R0.38 CNCCCNS(=O)(=O)C 34a_100000736790_200000210301 [0,2,0,0,0,0|2,0,0]=4 10063 B9R0.38 COCCCC[Si](C)(C)C 7a_200009881916_200000210301 [0,2,0,0,0,0|1,1,0]=4 10064 B9R0.38 COCCCNS(=O)(=O)C 40a_100150723488_100000738038 [0,2,0,0,0,0|2,0,0]=4 10065 B9R0.38 COCNCCS(=O)(=O)C 2230a_100000740961_100000766300 [0,2,0,0,0,0|2,0,0]=4 10066 B9R0.38 COCSCCS(=O)(=O)C 62a_100000731031_100000766300 [0,2,0,0,0,0|2,0,0]=4 10067 B9R0.38 COCSCCS(=O)(=O)C 62a_100000766300_100000230027 [0,2,0,0,0,0|2,0,0]=4 10068 B9R0.38 CS(=O)(=O)CCCNCF 34a_100000742409_100015361967 [0,2,0,0,0,0|2,0,0]=4 10069 B9R0.38 CS(=O)(=O)CCCOCF 34a_100000689940_100015361967 [0,2,0,0,0,0|2,0,0]=4 10070 B9R0.38 CS(=O)(=O)CCCOCF 7a_100000689940_100015361967 [0,2,0,0,0,0|2,0,0]=4 10071 B9R0.38 CS(=O)(=O)CCCSCF 62a_100000754308_100015361967 [0,2,0,0,0,0|2,0,0]=4 10072 B9R0.38 CS(=O)(=O)CCCSCF 62a_100015361967_100000754308 [0,2,0,0,0,0|2,0,0]=4 10073 B9R0.38 CS(=O)(=O)CCNCCF 2230a_100000740961_100011217306 [0,2,0,0,0,0|2,0,0]=4 10074 B9R0.38 CS(=O)(=O)CCNCCF 34a_100000724931_100000731031 [0,2,0,0,0,0|2,0,0]=4 10075 B9R0.38 CS(=O)(=O)CCNCCF 34a_100000740961_100011217306 [0,2,0,0,0,0|2,0,0]=4 10076 B9R0.38 CS(=O)(=O)CCNCCO 2230a_100000740961_100000211926 [0,2,0,0,0,0|2,0,0]=4 10077 B9R0.38 CS(=O)(=O)CCNCCO 2230a_100016997473_100000731031 [0,2,0,0,0,0|2,0,0]=4 10078 B9R0.38 CS(=O)(=O)CCNCCO 34a_100000740961_100000211926 [0,2,0,0,0,0|2,0,0]=4 10079 B9R0.38 CS(=O)(=O)CCNCCO 34a_100016990907_100000731031 [0,2,0,0,0,0|2,0,0]=4 10080 B9R0.38 CS(=O)(=O)CCOCCBr 34a_100000211926_100000731031 [0,2,0,0,0,0|2,0,0]=4 10081 B9R0.38 CS(=O)(=O)CCOCCF 34a_100000211924_100011217306 [0,2,0,0,0,0|2,0,0]=4 10082 B9R0.38 CS(=O)(=O)CCOCCF 7a_100000211924_100011217306 [0,2,0,0,0,0|2,0,0]=4 10083 B9R0.38 CS(=O)(=O)CCOCCN 34a_100000210304_100000731031 [0,2,0,0,0,0|2,0,0]=4 10084 B9R0.38 CS(=O)(=O)CCOCCO 34a_100000211924_100000211926 [0,2,0,0,0,0|2,0,0]=4 10085 B9R0.38 CS(=O)(=O)CCOCCO 7a_100000211924_100000211926 [0,2,0,0,0,0|2,0,0]=4 10086 B9R0.38 CS(=O)(=O)CCSCCF 62a_100000731031_100011217306 [0,2,0,0,0,0|2,0,0]=4 10087 B9R0.38 CS(=O)(=O)CCSCCF 62a_100011217306_100000230027 [0,2,0,0,0,0|2,0,0]=4 10088 B9R0.38 CS(=O)(=O)CCSCCO 62a_100000211926_100000230027 [0,2,0,0,0,0|2,0,0]=4 10089 B9R0.38 CS(=O)(=O)CCSCCO 62a_100000731031_100000211926 [0,2,0,0,0,0|2,0,0]=4 10090 B9R0.38 CS(=O)(=O)NCCCCO 40a_100000750430_100000738038 [0,2,0,0,0,0|2,0,0]=4 10091 B9R0.38 CS(=O)(=O)NCCCN[13CH3] 34a_100000736790_200025704644 [0,2,0,0,0,0|2,0,0]=4 10092 B9R0.38 CSCCCNS(=O)(=O)C 40a_100000749238_100000738038 [0,2,0,0,0,0|2,0,0]=4 10093 B9R0.38 CSCNCCS(=O)(=O)C 2230a_100000740961_100011218213 [0,2,0,0,0,0|2,0,0]=4 10094 B9R0.38 CSCNCCS(=O)(=O)C 34a_100000740961_100011218213 [0,2,0,0,0,0|2,0,0]=4 10095 B9R0.38 CSCOCCS(=O)(=O)C 34a_100000211924_100011218213 [0,2,0,0,0,0|2,0,0]=4 10096 B9R0.38 CSCSCCS(=O)(=O)C 62a_100000731031_100011218213 [0,2,0,0,0,0|2,0,0]=4 10097 B9R0.38 CSCSCCS(=O)(=O)C 62a_100011218213_100000230027 [0,2,0,0,0,0|2,0,0]=4 10098 B9R0.38 C[Si](C)(C)CCCCO[13CH3] 7a_200009881916_200025704644 [0,2,0,0,0,0|1,1,0]=4 10099 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|1,0,0]=3 10100 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|1,0,0]=3 10101 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|1,0,1]=4 10102 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|1,0,1]=4 10103 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|1,0,1]=4 10104 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|1,0,1]=4 10105 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|1,0,1]=4 10106 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 10107 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 10108 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|1,0,1]=4 10109 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,2,0,0,0,0|1,0,0]=3 10110 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,2,0,0,0,0|1,0,0]=3 10111 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,2,0,0,0,0|1,0,0]=3 10112 B9R0.48 C=C(C)CCN(C)CCO 2230a_100000210263_100000730704 [0,2,0,0,0,0|2,0,0]=4 10113 B9R0.48 C=C(C)CCN(C)CCO 269982a_100000210263_100000730704 [0,2,0,0,0,0|2,0,0]=4 10114 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 10115 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 10116 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 10117 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|1,0,1]=4 10118 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,2,0,0,0,0|1,0,0]=3 10119 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,2,0,0,0,0|2,0,0]=4 10120 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,2,0,0,0,0|2,0,0]=4 10121 B9R0.48 C=C(C)CN[C@H](C)COC 2230a_100000764878_100000748629 [0,2,0,0,0,0|2,0,0]=4 10122 B9R0.48 C=C(C)COC(C)CCBr 34a_100012276601_100000748629 [0,2,0,0,0,0|2,0,0]=4 10123 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,2,0,0,0,0|1,0,0]=3 10124 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,2,0,0,0,0|1,0,0]=3 10125 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,2,0,0,0,0|1,0,0]=3 10126 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,2,0,0,0,0|2,0,0]=4 10127 B9R0.48 C=C(C)COC(C)COC 34a_100000210245_100000765312 [0,2,0,0,0,0|2,0,0]=4 10128 B9R0.48 C=C(C)CO[C@H](C)COC 34a_100011934205_100000748629 [0,2,0,0,0,0|2,0,0]=4 10129 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,2,0,0,0,0|1,0,0]=3 10130 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,2,0,0,0,0|1,0,0]=3 10131 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,2,0,0,0,0|2,0,0]=4 10132 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,2,0,0,0,0|2,0,0]=4 10133 B9R0.48 C=C(C)CSC(C)COC 62a_100000748629_100000765312 [0,2,0,0,0,0|2,0,0]=4 10134 B9R0.48 C=C(C)CSC(C)COC 62a_100000765312_100000211660 [0,2,0,0,0,0|2,0,0]=4 10135 B9R0.48 C=C(F)CNC(C)CCC 2230a_100000741246_100009893438 [0,2,0,0,0,0|1,0,1]=4 10136 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,2,0,0,0,0|1,0,1]=4 10137 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,2,0,0,0,0|1,0,1]=4 10138 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,2,0,0,0,0|1,0,1]=4 10139 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,2,0,0,0,0|1,0,1]=4 10140 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,2,0,0,0,0|1,0,1]=4 10141 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,2,0,0,0,0|0,0,2]=4 10142 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,2,0,0,0,0|1,0,0]=3 10143 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,2,0,0,0,0|1,0,0]=3 10144 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,2,0,0,0,0|1,0,1]=4 10145 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,2,0,0,0,0|1,0,1]=4 10146 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,2,0,0,0,0|1,0,1]=4 10147 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|1,0,1]=4 10148 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,2,0,0,0,0|1,0,1]=4 10149 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,2,0,0,0,0|1,0,1]=4 10150 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,2,0,0,0,0|1,0,0]=3 10151 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,2,0,0,0,0|1,0,0]=3 10152 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,2,0,0,0,0|2,0,0]=4 10153 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,2,0,0,0,0|1,0,1]=4 10154 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,2,0,0,0,0|1,0,1]=4 10155 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,2,0,0,0,0|1,0,0]=3 10156 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,2,0,0,0,0|1,0,0]=3 10157 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,2,0,0,0,0|2,0,0]=4 10158 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,2,0,0,0,0|2,0,0]=4 10159 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,2,0,0,0,0|2,0,0]=4 10160 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,2,0,0,0,0|2,0,0]=4 10161 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,2,0,0,0,0|2,0,0]=4 10162 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,2,0,0,0,0|2,0,0]=4 10163 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,2,0,0,0,0|2,0,0]=4 10164 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,2,0,0,0,0|2,0,0]=4 10165 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,2,0,0,0,0|1,0,1]=4 10166 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|1,0,1]=4 10167 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|1,0,1]=4 10168 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|1,0,0]=3 10169 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|1,0,1]=4 10170 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|1,0,1]=4 10171 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|0,0,2]=4 10172 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,2,0,0,0,0|2,0,0]=4 10173 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|2,0,0]=4 10174 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|0,0,1]=3 10175 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,2,0,0,0,0|1,0,1]=4 10176 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|0,0,1]=3 10177 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|0,0,1]=3 10178 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 10179 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 10180 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 10181 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,2,0,0,0,0|1,0,1]=4 10182 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,2,0,0,0,0|1,0,1]=4 10183 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|0,0,1]=3 10184 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,2,0,0,0,0|1,0,1]=4 10185 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,2,0,0,0,0|1,0,1]=4 10186 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,2,0,0,0,0|1,0,1]=4 10187 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,2,0,0,0,0|1,0,1]=4 10188 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,2,0,0,0,0|1,0,1]=4 10189 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,2,0,0,0,0|1,0,1]=4 10190 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,2,0,0,0,0|1,0,1]=4 10191 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,2,0,0,0,0|1,0,0]=3 10192 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,2,0,0,0,0|1,0,0]=3 10193 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,2,0,0,0,0|1,0,0]=3 10194 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,2,0,0,0,0|1,0,1]=4 10195 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,2,0,0,0,0|1,0,1]=4 10196 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,2,0,0,0,0|1,0,1]=4 10197 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,2,0,0,0,0|1,0,1]=4 10198 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,2,0,0,0,0|1,0,1]=4 10199 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,2,0,0,0,0|0,0,2]=4 10200 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,2,0,0,0,0|0,0,2]=4 10201 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,2,0,0,0,0|0,0,2]=4 10202 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,2,0,0,0,0|0,0,2]=4 10203 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,2,0,0,0,0|0,0,2]=4 10204 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,2,0,0,0,0|0,0,0]=2 10205 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,2,0,0,0,0|1,0,0]=3 10206 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,2,0,0,0,0|1,0,0]=3 10207 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,2,0,0,0,0|1,0,0]=3 10208 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,2,0,0,0,0|1,0,1]=4 10209 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,2,0,0,0,0|1,0,1]=4 10210 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,2,0,0,0,0|1,0,1]=4 10211 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,2,0,0,0,0|1,0,1]=4 10212 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,2,0,0,0,0|1,0,1]=4 10213 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,2,0,0,0,0|0,0,2]=4 10214 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,2,0,0,0,0|0,0,2]=4 10215 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,2,0,0,0,0|1,0,1]=4 10216 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,2,0,0,0,0|1,0,1]=4 10217 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,2,0,0,0,0|0,0,2]=4 10218 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,2,0,0,0,0|0,0,2]=4 10219 B9R0.48 CCCC(C)OC[N+](=O)[O-] 34a_100000764384_100000761209 [0,2,0,0,0,0|2,0,0]=4 10220 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,2,0,0,0,0|1,0,0]=3 10221 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,2,0,0,0,0|1,0,0]=3 10222 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,2,0,0,0,0|1,0,0]=3 10223 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,2,0,0,0,0|1,0,0]=3 10224 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,2,0,0,0,0|1,0,1]=4 10225 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,2,0,0,0,0|1,0,1]=4 10226 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,2,0,0,0,0|0,0,2]=4 10227 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,2,0,0,0,0|0,0,2]=4 10228 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,2,0,0,0,0|0,0,2]=4 10229 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,2,0,0,0,0|0,0,2]=4 10230 B9R0.48 CCCC(C)SC[N+](=O)[O-] 62a_100000766640_100000761209 [0,2,0,0,0,0|2,0,0]=4 10231 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [0,2,0,0,0,0|1,0,1]=4 10232 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [0,2,0,0,0,0|1,0,1]=4 10233 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,2,0,0,0,0|0,0,0]=2 10234 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,2,0,0,0,0|1,0,0]=3 10235 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,2,0,0,0,0|1,0,0]=3 10236 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,2,0,0,0,0|1,0,0]=3 10237 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,2,0,0,0,0|1,0,1]=4 10238 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,2,0,0,0,0|1,0,1]=4 10239 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,2,0,0,0,0|1,0,1]=4 10240 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,2,0,0,0,0|1,0,1]=4 10241 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,2,0,0,0,0|0,0,2]=4 10242 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,2,0,0,0,0|0,0,2]=4 10243 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,2,0,0,0,0|2,0,0]=4 10244 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,2,0,0,0,0|2,0,0]=4 10245 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,2,0,0,0,0|2,0,0]=4 10246 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,2,0,0,0,0|2,0,0]=4 10247 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,2,0,0,0,0|1,0,0]=3 10248 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,2,0,0,0,0|2,0,0]=4 10249 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,2,0,0,0,0|2,0,0]=4 10250 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,2,0,0,0,0|1,0,1]=4 10251 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|0,0,1]=3 10252 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,2,0,0,0,0|1,0,1]=4 10253 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,2,0,0,0,0|1,0,1]=4 10254 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|0,0,1]=3 10255 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 10256 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 10257 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 10258 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 10259 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,0|1,0,1]=4 10260 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,0|1,0,1]=4 10261 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,0|1,0,1]=4 10262 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 10263 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 10264 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 10265 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,2,0,0,0,0|1,0,1]=4 10266 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,2,0,0,0,0|1,0,1]=4 10267 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,2,0,0,0,0|1,0,1]=4 10268 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,2,0,0,0,0|1,0,1]=4 10269 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,2,0,0,0,0|1,0,0]=3 10270 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,0,1]=3 10271 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,0,1]=3 10272 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|1,0,1]=4 10273 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|1,0,1]=4 10274 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|1,0,1]=4 10275 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 10276 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,1]=4 10277 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 10278 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,2,0,0,0,0|1,0,1]=4 10279 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,2,0,0,0,0|1,0,1]=4 10280 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,2,0,0,0,0|2,0,0]=4 10281 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,2,0,0,0,0|2,0,0]=4 10282 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,2,0,0,0,0|2,0,0]=4 10283 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,2,0,0,0,0|2,0,0]=4 10284 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,2,0,0,0,0|1,0,1]=4 10285 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,2,0,0,0,0|1,0,0]=3 10286 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,2,0,0,0,0|1,0,0]=3 10287 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,2,0,0,0,0|1,0,0]=3 10288 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,2,0,0,0,0|1,0,0]=3 10289 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,2,0,0,0,0|1,0,0]=3 10290 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|1,0,1]=4 10291 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,2,0,0,0,0|1,0,0]=3 10292 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,2,0,0,0,0|2,0,0]=4 10293 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,2,0,0,0,0|2,0,0]=4 10294 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,2,0,0,0,0|1,0,0]=3 10295 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,2,0,0,0,0|2,0,0]=4 10296 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,2,0,0,0,0|2,0,0]=4 10297 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,2,0,0,0,0|2,0,0]=4 10298 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,2,0,0,0,0|2,0,0]=4 10299 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,2,0,0,0,0|1,0,0]=3 10300 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,2,0,0,0,0|1,0,0]=3 10301 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,2,0,0,0,0|1,0,0]=3 10302 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,2,0,0,0,0|2,0,0]=4 10303 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,2,0,0,0,0|2,0,0]=4 10304 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,2,0,0,0,0|2,0,0]=4 10305 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,2,0,0,0,0|2,0,0]=4 10306 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,2,0,0,0,0|1,0,1]=4 10307 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,2,0,0,0,0|1,0,1]=4 10308 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,2,0,0,0,0|1,0,0]=3 10309 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,2,0,0,0,0|1,0,0]=3 10310 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,2,0,0,0,0|1,0,0]=3 10311 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,2,0,0,0,0|1,0,0]=3 10312 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,2,0,0,0,0|2,0,0]=4 10313 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,2,0,0,0,0|2,0,0]=4 10314 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|2,0,0]=4 10315 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|2,0,0]=4 10316 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,2,0,0,0,0|1,0,1]=4 10317 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,2,0,0,0,0|1,0,1]=4 10318 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,2,0,0,0,0|1,0,1]=4 10319 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,2,0,0,0,0|1,0,1]=4 10320 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,2,0,0,0,0|1,0,1]=4 10321 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,2,0,0,0,0|1,0,1]=4 10322 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,2,0,0,0,0|1,0,1]=4 10323 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,2,0,0,0,0|1,0,0]=3 10324 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,2,0,0,0,0|1,0,0]=3 10325 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,2,0,0,0,0|1,0,0]=3 10326 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,2,0,0,0,0|1,0,0]=3 10327 B9R0.55 C=C(C)CCNCC(F)F 34a_100000765723_100000730704 [0,2,0,0,0,0|2,0,0]=4 10328 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000210245_100000730704 [0,2,0,0,0,0|1,0,1]=4 10329 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000764851_100000748629 [0,2,0,0,0,0|1,0,1]=4 10330 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,2,0,0,0,0|0,0,1]=3 10331 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,2,0,0,0,0|1,0,1]=4 10332 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,2,0,0,0,0|1,0,1]=4 10333 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,2,0,0,0,0|1,0,0]=3 10334 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,2,0,0,0,0|1,0,0]=3 10335 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,2,0,0,0,0|1,0,0]=3 10336 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,2,0,0,0,0|1,0,0]=3 10337 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,2,0,0,0,0|1,0,0]=3 10338 B9R0.55 C=C(C)CCOCC(F)F 34a_100000743014_100000730704 [0,2,0,0,0,0|2,0,0]=4 10339 B9R0.55 C=C(C)CCOCC(F)F 34a_100000764851_100011934356 [0,2,0,0,0,0|2,0,0]=4 10340 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,2,0,0,0,0|1,0,0]=3 10341 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,2,0,0,0,0|1,0,0]=3 10342 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,2,0,0,0,0|1,0,0]=3 10343 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [0,2,0,0,0,0|1,0,1]=4 10344 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [0,2,0,0,0,0|1,0,1]=4 10345 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,2,0,0,0,0|1,0,1]=4 10346 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,2,0,0,0,0|1,0,1]=4 10347 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,2,0,0,0,0|1,0,1]=4 10348 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,2,0,0,0,0|1,0,1]=4 10349 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,2,0,0,0,0|1,0,0]=3 10350 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,2,0,0,0,0|1,0,0]=3 10351 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,2,0,0,0,0|1,0,0]=3 10352 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,2,0,0,0,0|1,0,0]=3 10353 B9R0.55 C=C(C)CCSCC(F)F 62a_100000730704_100011934356 [0,2,0,0,0,0|2,0,0]=4 10354 B9R0.55 C=C(C)CCSCC(F)F 62a_100011934356_100000730704 [0,2,0,0,0,0|2,0,0]=4 10355 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,2,0,0,0,0|1,0,0]=3 10356 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,2,0,0,0,0|1,0,0]=3 10357 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,2,0,0,0,0|1,0,0]=3 10358 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,2,0,0,0,0|0,0,1]=3 10359 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,2,0,0,0,0|0,0,1]=3 10360 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,2,0,0,0,0|1,0,1]=4 10361 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,2,0,0,0,0|1,0,1]=4 10362 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,2,0,0,0,0|1,0,1]=4 10363 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,2,0,0,0,0|1,0,0]=3 10364 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,2,0,0,0,0|1,0,0]=3 10365 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,2,0,0,0,0|1,0,0]=3 10366 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,2,0,0,0,0|1,0,0]=3 10367 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,2,0,0,0,0|1,0,0]=3 10368 B9R0.55 C=C(C)COCCC(F)F 34a_100103093639_100000748629 [0,2,0,0,0,0|2,0,0]=4 10369 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,2,0,0,0,0|1,0,0]=3 10370 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,2,0,0,0,0|1,0,1]=4 10371 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,2,0,0,0,0|2,0,0]=4 10372 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,2,0,0,0,0|0,0,1]=3 10373 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,2,0,0,0,0|0,0,1]=3 10374 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,2,0,0,0,0|1,0,1]=4 10375 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,2,0,0,0,0|1,0,1]=4 10376 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,2,0,0,0,0|1,0,0]=3 10377 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,2,0,0,0,0|1,0,0]=3 10378 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,2,0,0,0,0|1,0,0]=3 10379 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,2,0,0,0,0|1,0,0]=3 10380 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,2,0,0,0,0|2,0,0]=4 10381 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,2,0,0,0,0|1,0,1]=4 10382 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,2,0,0,0,0|1,0,1]=4 10383 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,2,0,0,0,0|2,0,0]=4 10384 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,2,0,0,0,0|2,0,0]=4 10385 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,2,0,0,0,0|1,0,1]=4 10386 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [0,2,0,0,0,0|0,0,2]=4 10387 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [0,2,0,0,0,0|0,0,2]=4 10388 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,2,0,0,0,0|1,0,1]=4 10389 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,2,0,0,0,0|1,0,1]=4 10390 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,2,0,0,0,0|1,0,1]=4 10391 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,2,0,0,0,0|1,0,1]=4 10392 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,2,0,0,0,0|1,0,1]=4 10393 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,2,0,0,0,0|1,0,1]=4 10394 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,2,0,0,0,0|0,0,2]=4 10395 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,2,0,0,0,0|0,0,2]=4 10396 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,2,0,0,0,0|1,0,1]=4 10397 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,2,0,0,0,0|1,0,1]=4 10398 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,2,0,0,0,0|1,0,1]=4 10399 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,2,0,0,0,0|1,0,1]=4 10400 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,2,0,0,0,0|1,0,1]=4 10401 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,2,0,0,0,0|1,0,1]=4 10402 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,2,0,0,0,0|1,0,1]=4 10403 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,2,0,0,0,0|1,0,1]=4 10404 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,2,0,0,0,0|1,0,1]=4 10405 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,2,0,0,0,0|1,0,1]=4 10406 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,2,0,0,0,0|1,0,1]=4 10407 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,2,0,0,0,0|1,0,1]=4 10408 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,2,0,0,0,0|1,0,1]=4 10409 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,2,0,0,0,0|1,0,1]=4 10410 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,2,0,0,0,0|1,0,1]=4 10411 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,2,0,0,0,0|1,0,1]=4 10412 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,2,0,0,0,0|1,0,1]=4 10413 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,2,0,0,0,0|1,0,1]=4 10414 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,2,0,0,0,0|1,0,1]=4 10415 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,2,0,0,0,0|1,0,1]=4 10416 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,2,0,0,0,0|1,0,1]=4 10417 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,2,0,0,0,0|1,0,1]=4 10418 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,2,0,0,0,0|1,0,1]=4 10419 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,2,0,0,0,0|1,0,1]=4 10420 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,2,0,0,0,0|1,0,1]=4 10421 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,2,0,0,0,0|1,0,1]=4 10422 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,2,0,0,0,0|1,0,1]=4 10423 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,2,0,0,0,0|1,0,1]=4 10424 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,2,0,0,0,0|1,0,1]=4 10425 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,2,0,0,0,0|1,0,1]=4 10426 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,2,0,0,0,0|1,0,1]=4 10427 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,2,0,0,0,0|1,0,0]=3 10428 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,2,0,0,0,0|0,0,0]=2 10429 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,2,0,0,0,0|0,0,0]=2 10430 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,2,0,0,0,0|0,0,0]=2 10431 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,2,0,0,0,0|0,0,0]=2 10432 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,2,0,0,0,0|1,0,1]=4 10433 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,2,0,0,0,0|0,0,1]=3 10434 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,2,0,0,0,0|0,0,0]=2 10435 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,2,0,0,0,0|0,0,1]=3 10436 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,2,0,0,0,0|0,0,1]=3 10437 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,2,0,0,0,0|0,0,0]=2 10438 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,2,0,0,0,0|0,0,0]=2 10439 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,2,0,0,0,0|0,0,0]=2 10440 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,2,0,0,0,0|0,0,1]=3 10441 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,2,0,0,0,0|0,0,0]=2 10442 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,2,0,0,0,0|0,0,0]=2 10443 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,2,0,0,0,0|1,0,1]=4 10444 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,2,0,0,0,0|1,0,1]=4 10445 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,2,0,0,0,0|1,0,1]=4 10446 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,2,0,0,0,0|1,0,1]=4 10447 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,2,0,0,0,0|1,0,1]=4 10448 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,2,0,0,0,0|0,0,0]=2 10449 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,2,0,0,0,0|0,0,0]=2 10450 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,2,0,0,0,0|0,0,0]=2 10451 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,2,0,0,0,0|0,0,0]=2 10452 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,2,0,0,0,0|1,0,0]=3 10453 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,2,0,0,0,0|1,0,0]=3 10454 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,2,0,0,0,0|1,0,0]=3 10455 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,2,0,0,0,0|0,0,0]=2 10456 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,2,0,0,0,0|0,0,0]=2 10457 B9R0.55 CC(=O)CCOC[N+](=O)[O-] 34a_100000759926_100000761209 [0,2,0,0,0,0|2,0,0]=4 10458 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,2,0,0,0,0|1,0,1]=4 10459 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,2,0,0,0,0|1,0,1]=4 10460 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,2,0,0,0,0|1,0,1]=4 10461 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,2,0,0,0,0|1,0,1]=4 10462 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,2,0,0,0,0|1,0,1]=4 10463 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,2,0,0,0,0|0,0,0]=2 10464 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,2,0,0,0,0|0,0,0]=2 10465 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,2,0,0,0,0|0,0,0]=2 10466 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,2,0,0,0,0|0,0,0]=2 10467 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,2,0,0,0,0|1,0,0]=3 10468 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,2,0,0,0,0|1,0,0]=3 10469 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,2,0,0,0,0|0,0,0]=2 10470 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,2,0,0,0,0|0,0,0]=2 10471 B9R0.55 CC(=O)CCSC[N+](=O)[O-] 62a_100000053229_100000761209 [0,2,0,0,0,0|2,0,0]=4 10472 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,2,0,0,0,0|0,0,2]=4 10473 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,2,0,0,0,0|1,0,1]=4 10474 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,2,0,0,0,0|0,0,0]=2 10475 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,2,0,0,0,0|0,0,0]=2 10476 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,2,0,0,0,0|1,0,1]=4 10477 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,2,0,0,0,0|1,0,0]=3 10478 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,2,0,0,0,0|1,0,1]=4 10479 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,2,0,0,0,0|1,0,1]=4 10480 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,2,0,0,0,0|0,0,1]=3 10481 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,2,0,0,0,0|0,0,0]=2 10482 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,2,0,0,0,0|0,0,0]=2 10483 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,2,0,0,0,0|0,0,0]=2 10484 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,2,0,0,0,0|0,0,0]=2 10485 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,2,0,0,0,0|1,0,0]=3 10486 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,2,0,0,0,0|1,0,0]=3 10487 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,2,0,0,0,0|1,0,0]=3 10488 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,2,0,0,0,0|1,0,0]=3 10489 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,2,0,0,0,0|1,0,0]=3 10490 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,2,0,0,0,0|1,0,1]=4 10491 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,2,0,0,0,0|1,0,1]=4 10492 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,2,0,0,0,0|1,0,0]=3 10493 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,2,0,0,0,0|1,0,0]=3 10494 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,2,0,0,0,0|1,0,1]=4 10495 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,2,0,0,0,0|1,0,1]=4 10496 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,2,0,0,0,0|1,0,1]=4 10497 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,2,0,0,0,0|1,0,0]=3 10498 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,2,0,0,0,0|1,0,0]=3 10499 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,2,0,0,0,0|1,0,0]=3 10500 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,2,0,0,0,0|1,0,0]=3 10501 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,2,0,0,0,0|1,0,0]=3 10502 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,2,0,0,0,0|1,0,1]=4 10503 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,2,0,0,0,0|1,0,1]=4 10504 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,2,0,0,0,0|1,0,1]=4 10505 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,2,0,0,0,0|1,0,0]=3 10506 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,2,0,0,0,0|1,0,0]=3 10507 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,2,0,0,0,0|1,0,0]=3 10508 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,2,0,0,0,0|1,0,0]=3 10509 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,2,0,0,0,0|1,0,0]=3 10510 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,2,0,0,0,0|1,0,0]=3 10511 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,2,0,0,0,0|1,0,1]=4 10512 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,2,0,0,0,0|2,0,0]=4 10513 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,2,0,0,0,0|1,0,0]=3 10514 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,2,0,0,0,0|1,0,0]=3 10515 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,2,0,0,0,0|1,0,0]=3 10516 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,2,0,0,0,0|1,0,0]=3 10517 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,2,0,0,0,0|1,0,0]=3 10518 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,2,0,0,0,0|1,0,0]=3 10519 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,2,0,0,0,0|1,0,0]=3 10520 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,2,0,0,0,0|2,0,0]=4 10521 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,2,0,0,0,0|1,0,0]=3 10522 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,2,0,0,0,0|1,0,0]=3 10523 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,2,0,0,0,0|1,0,0]=3 10524 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,2,0,0,0,0|2,0,0]=4 10525 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,2,0,0,0,0|1,0,0]=3 10526 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,2,0,0,0,0|1,0,0]=3 10527 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,2,0,0,0,0|1,0,0]=3 10528 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,2,0,0,0,0|1,0,0]=3 10529 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,2,0,0,0,0|1,0,0]=3 10530 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,2,0,0,0,0|1,0,0]=3 10531 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,2,0,0,0,0|2,0,0]=4 10532 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,2,0,0,0,0|2,0,0]=4 10533 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,2,0,0,0,0|1,0,0]=3 10534 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,2,0,0,0,0|1,0,0]=3 10535 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,2,0,0,0,0|1,0,0]=3 10536 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,2,0,0,0,0|1,0,0]=3 10537 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,2,0,0,0,0|1,1,0]=4 10538 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,2,0,0,0,0|1,1,0]=4 10539 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,2,0,0,0,0|1,0,0]=3 10540 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,2,0,0,0,0|1,0,0]=3 10541 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,2,0,0,0,0|0,0,2]=4 10542 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,2,0,0,0,0|2,0,0]=4 10543 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,2,0,0,0,0|1,0,0]=3 10544 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,2,0,0,0,0|0,0,0]=2 10545 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,2,0,0,0,0|1,0,1]=4 10546 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,2,0,0,0,0|1,0,1]=4 10547 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,2,0,0,0,0|1,0,1]=4 10548 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,2,0,0,0,0|1,0,1]=4 10549 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,2,0,0,0,0|1,0,1]=4 10550 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,2,0,0,0,0|1,0,1]=4 10551 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,2,0,0,0,0|1,0,1]=4 10552 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,2,0,0,0,0|1,0,1]=4 10553 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,2,0,0,0,0|1,0,1]=4 10554 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,2,0,0,0,0|1,0,1]=4 10555 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,2,0,0,0,0|1,0,1]=4 10556 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,2,0,0,0,0|1,0,0]=3 10557 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,2,0,0,0,0|1,0,0]=3 10558 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,2,0,0,0,0|1,0,1]=4 10559 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,2,0,0,0,0|1,0,1]=4 10560 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,2,0,0,0,0|1,0,1]=4 10561 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,2,0,0,0,0|1,0,1]=4 10562 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,2,0,0,0,0|0,0,2]=4 10563 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,2,0,0,0,0|0,0,2]=4 10564 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,2,0,0,0,0|0,0,2]=4 10565 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,2,0,0,0,0|1,0,0]=3 10566 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,2,0,0,0,0|1,0,0]=3 10567 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,2,0,0,0,0|1,0,0]=3 10568 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,2,0,0,0,0|1,0,1]=4 10569 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,2,0,0,0,0|1,0,1]=4 10570 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,2,0,0,0,0|1,0,1]=4 10571 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,2,0,0,0,0|1,0,1]=4 10572 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,2,0,0,0,0|1,0,1]=4 10573 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,2,0,0,0,0|0,0,2]=4 10574 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,2,0,0,0,0|0,0,2]=4 10575 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,2,0,0,0,0|1,0,1]=4 10576 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,2,0,0,0,0|1,0,1]=4 10577 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,2,0,0,0,0|0,0,2]=4 10578 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,2,0,0,0,0|0,0,2]=4 10579 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,2,0,0,0,0|2,0,0]=4 10580 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,2,0,0,0,0|1,0,0]=3 10581 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,2,0,0,0,0|1,0,0]=3 10582 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,2,0,0,0,0|1,0,0]=3 10583 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,2,0,0,0,0|1,0,0]=3 10584 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,2,0,0,0,0|1,0,1]=4 10585 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,2,0,0,0,0|1,0,1]=4 10586 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,2,0,0,0,0|0,0,2]=4 10587 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,2,0,0,0,0|0,0,2]=4 10588 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,2,0,0,0,0|0,0,2]=4 10589 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,2,0,0,0,0|0,0,2]=4 10590 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,2,0,0,0,0|2,0,0]=4 10591 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,2,0,0,0,0|1,0,0]=3 10592 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,2,0,0,0,0|1,0,0]=3 10593 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,2,0,0,0,0|0,0,2]=4 10594 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,2,0,0,0,0|0,0,2]=4 10595 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,2,0,0,0,0|0,0,2]=4 10596 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,2,0,0,0,0|0,0,2]=4 10597 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [0,2,0,0,0,0|2,0,0]=4 10598 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,2,0,0,0,0|2,0,0]=4 10599 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,2,0,0,0,0|1,0,0]=3 10600 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,2,0,0,0,0|1,0,0]=3 10601 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,2,0,0,0,0|1,0,0]=3 10602 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,2,0,0,0,0|1,0,1]=4 10603 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,2,0,0,0,0|0,0,2]=4 10604 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,2,0,0,0,0|1,0,1]=4 10605 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,2,0,0,0,0|1,0,0]=3 10606 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,2,0,0,0,0|1,0,0]=3 10607 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,2,0,0,0,0|0,0,2]=4 10608 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,2,0,0,0,0|0,0,2]=4 10609 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,2,0,0,0,0|2,0,0]=4 10610 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,2,0,0,0,0|1,0,0]=3 10611 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,2,0,0,0,0|1,0,0]=3 10612 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,2,0,0,0,0|1,0,0]=3 10613 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,2,0,0,0,0|2,0,0]=4 10614 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,2,0,0,0,0|2,0,0]=4 10615 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,2,0,0,0,0|2,0,0]=4 10616 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,2,0,0,0,0|1,0,0]=3 10617 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,2,0,0,0,0|2,0,0]=4 10618 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,2,0,0,0,0|2,0,0]=4 10619 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,2,0,0,0,0|2,0,0]=4 10620 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,2,0,0,0,0|2,0,0]=4 10621 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,2,0,0,0,0|2,0,0]=4 10622 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,2,0,0,0,0|2,0,0]=4 10623 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,2,0,0,0,0|2,0,0]=4 10624 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,2,0,0,0,0|2,0,0]=4 10625 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,2,0,0,0,0|2,0,0]=4 10626 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,2,0,0,0,0|2,0,0]=4 10627 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,2,0,0,0,0|1,0,0]=3 10628 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,2,0,0,0,0|1,0,0]=3 10629 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,2,0,0,0,0|2,0,0]=4 10630 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,2,0,0,0,0|2,0,0]=4 10631 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,2,0,0,0,0|2,0,0]=4 10632 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,2,0,0,0,0|2,0,0]=4 10633 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,2,0,0,0,0|2,0,0]=4 10634 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,2,0,0,0,0|1,0,0]=3 10635 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,2,0,0,0,0|0,0,2]=4 10636 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,2,0,0,0,0|0,0,2]=4 10637 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,2,0,0,0,0|0,0,2]=4 10638 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,2,0,0,0,0|0,0,2]=4 10639 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,2,0,0,0,0|0,0,2]=4 10640 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,2,0,0,0,0|1,0,0]=3 10641 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,2,0,0,0,0|1,0,0]=3 10642 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,2,0,0,0,0|1,0,0]=3 10643 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,2,0,0,0,0|0,0,2]=4 10644 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,2,0,0,0,0|0,0,2]=4 10645 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,2,0,0,0,0|0,0,2]=4 10646 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,2,0,0,0,0|0,0,2]=4 10647 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,2,0,0,0,0|0,0,2]=4 10648 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,2,0,0,0,0|0,0,2]=4 10649 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,2,0,0,0,0|0,0,2]=4 10650 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,2,0,0,0,0|0,0,2]=4 10651 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,2,0,0,0,0|1,0,0]=3 10652 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,2,0,0,0,0|1,0,0]=3 10653 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,2,0,0,0,0|1,0,0]=3 10654 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,2,0,0,0,0|1,0,0]=3 10655 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,2,0,0,0,0|0,0,2]=4 10656 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,2,0,0,0,0|0,0,2]=4 10657 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,2,0,0,0,0|0,0,2]=4 10658 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,2,0,0,0,0|0,0,2]=4 10659 B9R0.55 CC(O)CCSC[N+](=O)[O-] 62a_100012276601_100000761209 [0,2,0,0,0,0|2,0,0]=4 10660 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,2,0,0,0,0|1,0,0]=3 10661 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,2,0,0,0,0|1,0,0]=3 10662 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,2,0,0,0,0|2,0,0]=4 10663 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,2,0,0,0,0|1,0,0]=3 10664 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,2,0,0,0,0|1,0,0]=3 10665 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,2,0,0,0,0|0,0,2]=4 10666 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,2,0,0,0,0|0,0,2]=4 10667 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,2,0,0,0,0|1,0,0]=3 10668 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,2,0,0,0,0|1,0,0]=3 10669 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [0,2,0,0,0,0|2,0,0]=4 10670 B9R0.55 CN(C)CCCCN(C)C 269982a_100102631434_100000690147 [0,2,0,0,0,0|2,0,0]=4 10671 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,2,0,0,0,0|2,0,0]=4 10672 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,2,0,0,0,0|2,0,0]=4 10673 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,2,0,0,0,0|2,0,0]=4 10674 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,2,0,0,0,0|2,0,0]=4 10675 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,2,0,0,0,0|2,0,0]=4 10676 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,2,0,0,0,0|1,0,0]=3 10677 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|1,0,0]=3 10678 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|1,0,0]=3 10679 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,2,0,0,0,0|0,0,2]=4 10680 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,2,0,0,0,0|2,0,0]=4 10681 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,2,0,0,0,0|1,0,0]=3 10682 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,2,0,0,0,0|2,0,0]=4 10683 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,2,0,0,0,0|1,0,0]=3 10684 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,2,0,0,0,0|1,0,0]=3 10685 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,2,0,0,0,0|1,0,0]=3 10686 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,2,0,0,0,0|1,0,0]=3 10687 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [0,2,0,0,0,0|2,0,0]=4 10688 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,2,0,0,0,0|2,0,0]=4 10689 B9R0.55 NC(=O)CCOCC(F)F 34a_100000743014_100000731001 [0,2,0,0,0,0|2,0,0]=4 10690 B9R0.55 NC(=O)CCOCC(F)F 34a_100000757172_100011934356 [0,2,0,0,0,0|2,0,0]=4 10691 B9R0.55 NC(=O)CCOCC(F)F 7a_100000757172_100011934356 [0,2,0,0,0,0|2,0,0]=4 10692 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [0,2,0,0,0,0|2,0,0]=4 10693 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [0,2,0,0,0,0|2,0,0]=4 10694 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,2,0,0,0,0|2,0,0]=4 10695 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,2,0,0,0,0|2,0,0]=4 10696 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,2,0,0,0,0|1,0,1]=4 10697 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,2,0,0,0,0|1,0,1]=4 10698 B9R0.3 CCCCN(C)S(=O)(=O)C 40a_100000207549_100000738038 [0,2,0,0,0,0|2,0,0]=4 10699 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|1,0,1]=4 10700 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,2,0,0,0,0|1,0,1]=4 10701 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,2,0,0,0,0|2,0,0]=4 10702 B9R0.7 C=C(C)C(C)NCC(C)O 269862a_100000210904_100011216138 [0,2,0,0,0,0|2,0,0]=4 10703 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|1,0,1]=4 10704 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|1,0,1]=4 10705 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|1,0,1]=4 10706 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|1,0,1]=4 10707 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|1,0,1]=4 10708 B9R0.7 C=C(C)CCC(C)N(C)C 270004a_100102631434_100011215600 [0,2,0,0,0,0|2,0,0]=4 10709 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,2,0,0,0,0|2,0,0]=4 10710 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,2,0,0,0,0|2,0,0]=4 10711 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,2,0,0,0,0|1,0,1]=4 10712 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,2,0,0,0,0|2,0,0]=4 10713 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,2,0,0,0,0|1,0,1]=4 10714 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,2,0,0,0,0|1,0,1]=4 10715 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,2,0,0,0,0|1,0,1]=4 10716 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|1,0,1]=4 10717 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,2,0,0,0,0|1,0,1]=4 10718 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,2,0,0,0,0|1,0,1]=4 10719 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|1,0,1]=4 10720 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|0,0,0]=2 10721 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,2,0,0,0,0|1,0,0]=3 10722 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,2,0,0,0,0|1,0,0]=3 10723 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,2,0,0,0,0|1,0,0]=3 10724 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,2,0,0,0,0|1,0,0]=3 10725 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,2,0,0,0,0|1,0,0]=3 10726 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,2,0,0,0,0|1,0,0]=3 10727 B9R0.7 CC(=O)C(C)OCC(F)F 34a_100000212229_100011934356 [0,2,0,0,0,0|2,0,0]=4 10728 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,2,0,0,0,0|1,0,0]=3 10729 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,2,0,0,0,0|1,0,0]=3 10730 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,2,0,0,0,0|1,0,0]=3 10731 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,2,0,0,0,0|1,0,0]=3 10732 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,2,0,0,0,0|1,0,0]=3 10733 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100009814033_100011934356 [0,2,0,0,0,0|2,0,0]=4 10734 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100011934356_100009814033 [0,2,0,0,0,0|2,0,0]=4 10735 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,2,0,0,0,0|1,0,0]=3 10736 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,2,0,0,0,0|1,0,0]=3 10737 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,2,0,0,0,0|1,0,1]=4 10738 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,2,0,0,0,0|1,0,1]=4 10739 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,2,0,0,0,0|1,0,0]=3 10740 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,2,0,0,0,0|1,0,0]=3 10741 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,2,0,0,0,0|1,0,1]=4 10742 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,2,0,0,0,0|1,0,1]=4 10743 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,2,0,0,0,0|1,0,1]=4 10744 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,2,0,0,0,0|1,0,0]=3 10745 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,2,0,0,0,0|1,0,0]=3 10746 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,2,0,0,0,0|1,0,0]=3 10747 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,2,0,0,0,0|1,0,0]=3 10748 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,2,0,0,0,0|2,0,0]=4 10749 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,2,0,0,0,0|2,0,0]=4 10750 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,2,0,0,0,0|1,0,1]=4 10751 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,2,0,0,0,0|1,0,0]=3 10752 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,2,0,0,0,0|1,0,0]=3 10753 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,2,0,0,0,0|1,0,0]=3 10754 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,2,0,0,0,0|1,0,1]=4 10755 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,2,0,0,0,0|2,0,0]=4 10756 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,2,0,0,0,0|2,0,0]=4 10757 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,2,0,0,0,0|1,0,1]=4 10758 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,2,0,0,0,0|1,0,1]=4 10759 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,2,0,0,0,0|1,0,1]=4 10760 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,2,0,0,0,0|2,0,0]=4 10761 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,2,0,0,0,0|2,0,0]=4 10762 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,2,0,0,0,0|2,0,0]=4 10763 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,2,0,0,0,0|1,0,1]=4 10764 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,2,0,0,0,0|1,0,1]=4 10765 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,2,0,0,0,0|2,0,0]=4 10766 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,2,0,0,0,0|2,0,0]=4 10767 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,2,0,0,0,0|2,0,0]=4 10768 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,2,0,0,0,0|2,0,0]=4 10769 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,2,0,0,0,0|2,0,0]=4 10770 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|1,0,1]=4 10771 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,2,0,0,0,0|2,0,0]=4 10772 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,2,0,0,0,0|2,0,0]=4 10773 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 10774 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 10775 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,2,0,0,0,0|2,0,0]=4 10776 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|2,0,0]=4 10777 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,2,0,0,0,0|2,0,0]=4 10778 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,2,0,0,0,0|2,0,0]=4 10779 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,2,0,0,0,0|2,0,0]=4 10780 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,2,0,0,0,0|2,0,0]=4 10781 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,2,0,0,0,0|2,0,0]=4 10782 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,2,0,0,0,0|2,0,0]=4 10783 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,2,0,0,0,0|2,0,0]=4 10784 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,2,0,0,0,0|2,0,0]=4 10785 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,2,0,0,0,0|2,0,0]=4 10786 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,2,0,0,0,0|2,0,0]=4 10787 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,2,0,0,0,0|2,0,0]=4 10788 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,2,0,0,0,0|2,0,0]=4 10789 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,2,0,0,0,0|2,0,0]=4 10790 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,2,0,0,0,0|2,0,0]=4 10791 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,2,0,0,0,0|2,0,0]=4 10792 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,2,0,0,0,0|2,0,0]=4 10793 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,2,0,0,0,0|2,0,0]=4 10794 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,2,0,0,0,0|2,0,0]=4 10795 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,2,0,0,0,0|2,0,0]=4 10796 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,2,0,0,0,0|1,0,0]=3 10797 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,2,0,0,0,0|2,0,0]=4 10798 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,2,0,0,0,0|2,0,0]=4 10799 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,2,0,0,0,0|2,0,0]=4 10800 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,2,0,0,0,0|2,0,0]=4 10801 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 10802 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,2,0,0,0,0|2,0,0]=4 10803 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,2,0,0,0,0|2,0,0]=4 10804 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,2,0,0,0,0|2,0,0]=4 10805 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 10806 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 10807 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 10808 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 10809 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,2,0,0,0,0|2,0,0]=4 10810 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,2,0,0,0,0|2,0,0]=4 10811 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,2,0,0,0,0|2,0,0]=4 10812 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,2,0,0,0,0|2,0,0]=4 10813 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,2,0,0,0,0|2,0,0]=4 10814 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,2,0,0,0,0|2,0,0]=4 10815 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,2,0,0,0,0|2,0,0]=4 10816 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,2,0,0,0,0|2,0,0]=4 10817 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,2,0,0,0,0|2,0,0]=4 10818 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,2,0,0,0,0|2,0,0]=4 10819 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,2,0,0,0,0|2,0,0]=4 10820 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,2,0,0,0,0|2,0,0]=4 10821 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,2,0,0,0,0|2,0,0]=4 10822 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,2,0,0,0,0|2,0,0]=4 10823 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,2,0,0,0,0|2,0,0]=4 10824 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,2,0,0,0,0|2,0,0]=4 10825 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,2,0,0,0,0|2,0,0]=4 10826 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,2,0,0,0,0|1,0,1]=4 10827 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,2,0,0,0,0|2,0,0]=4 10828 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,2,0,0,0,0|2,0,0]=4 10829 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,2,0,0,0,0|2,0,0]=4 10830 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,2,0,0,0,0|2,0,0]=4 10831 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,2,0,0,0,0|2,0,0]=4 10832 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,2,0,0,0,0|2,0,0]=4 10833 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,2,0,0,0,0|2,0,0]=4 10834 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,2,0,0,0,0|2,0,0]=4 10835 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,2,0,0,0,0|2,0,0]=4 10836 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,2,0,0,0,0|2,0,0]=4 10837 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,2,0,0,0,0|2,0,0]=4 10838 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,2,0,0,0,0|2,0,0]=4 10839 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,2,0,0,0,0|2,0,0]=4 10840 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,2,0,0,0,0|2,0,0]=4 10841 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,2,0,0,0,0|2,0,0]=4 10842 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|0,0,0]=2 10843 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|0,0,0]=2 10844 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|0,0,0]=2 10845 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,2,0,0,0,0|2,0,0]=4 10846 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,2,0,0,0,0|2,0,0]=4 10847 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|1,0,0]=3 10848 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|1,0,0]=3 10849 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|1,0,0]=3 10850 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,2,0,0,0,0|1,0,1]=4 10851 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|1,0,0]=3 10852 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,2,0,0,0,0|1,0,0]=3 10853 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,2,0,0,0,0|1,0,0]=3 10854 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,2,0,0,0,0|1,0,0]=3 10855 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,2,0,0,0,0|1,0,0]=3 10856 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|1,0,0]=3 10857 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|1,0,0]=3 10858 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|1,0,0]=3 10859 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|1,0,0]=3 10860 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|1,0,0]=3 10861 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|1,0,0]=3 10862 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|1,0,0]=3 10863 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|1,0,0]=3 10864 B9R0.13 CCCNC(C#N)C(=O)N 2230a_100000039599_100000210303 [0,2,0,0,0,0|2,0,0]=4 10865 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,2,0,0,0,0|2,0,0]=4 10866 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,2,0,0,0,0|2,0,0]=4 10867 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|2,0,0]=4 10868 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 10869 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 10870 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|2,0,0]=4 10871 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,2,0,0,0,0|2,0,0]=4 10872 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,2,0,0,0,0|2,0,0]=4 10873 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,2,0,0,0,0|2,0,0]=4 10874 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 10875 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 10876 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 10877 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,2,0,0,0,0|2,0,0]=4 10878 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,2,0,0,0,0|2,0,0]=4 10879 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,2,0,0,0,0|2,0,0]=4 10880 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,2,0,0,0,0|2,0,0]=4 10881 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,2,0,0,0,0|2,0,0]=4 10882 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,2,0,0,0,0|2,0,0]=4 10883 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,2,0,0,0,0|2,0,0]=4 10884 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,2,0,0,0,0|2,0,0]=4 10885 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,2,0,0,0,0|2,0,0]=4 10886 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|1,0,1]=4 10887 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,2,0,0,0,0|1,0,1]=4 10888 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|1,0,1]=4 10889 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [0,2,0,0,0,0|2,0,0]=4 10890 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,2,0,0,0,0|2,0,0]=4 10891 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,2,0,0,0,0|2,0,0]=4 10892 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,2,0,0,0,0|2,0,0]=4 10893 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,2,0,0,0,0|2,0,0]=4 10894 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,2,0,0,0,0|2,0,0]=4 10895 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,2,0,0,0,0|2,0,0]=4 10896 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,2,0,0,0,0|2,0,0]=4 10897 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,2,0,0,0,0|2,0,0]=4 10898 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|0,0,2]=4 10899 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,2,0,0,0,0|1,0,1]=4 10900 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,2,0,0,0,0|1,0,1]=4 10901 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,2,0,0,0,0|1,0,1]=4 10902 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [0,2,0,0,0,0|2,0,0]=4 10903 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,2,0,0,0,0|1,0,0]=3 10904 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,2,0,0,0,0|1,0,0]=3 10905 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,2,0,0,0,0|1,0,0]=3 10906 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,2,0,0,0,0|1,0,0]=3 10907 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|1,0,1]=4 10908 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|1,0,1]=4 10909 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,2,0,0,0,0|1,0,0]=3 10910 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,2,0,0,0,0|2,0,0]=4 10911 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,2,0,0,0,0|2,0,0]=4 10912 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|2,0,0]=4 10913 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,2,0,0,0,0|2,0,0]=4 10914 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,2,0,0,0,0|2,0,0]=4 10915 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|1,0,0]=3 10916 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|1,0,0]=3 10917 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,2,0,0,0,0|2,0,0]=4 10918 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,2,0,0,0,0|2,0,0]=4 10919 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,2,0,0,0,0|2,0,0]=4 10920 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,2,0,0,0,0|2,0,0]=4 10921 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,2,0,0,0,0|2,0,0]=4 10922 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,2,0,0,0,0|1,0,0]=3 10923 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,2,0,0,0,0|1,0,0]=3 10924 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,2,0,0,0,0|2,0,0]=4 10925 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,2,0,0,0,0|2,0,0]=4 10926 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,2,0,0,0,0|2,0,0]=4 10927 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,2,0,0,0,0|2,0,0]=4 10928 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,2,0,0,0,0|2,0,0]=4 10929 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,2,0,0,0,0|2,0,0]=4 10930 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,2,0,0,0,0|1,0,1]=4 10931 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,2,0,0,0,0|1,0,0]=3 10932 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,2,0,0,0,0|1,0,0]=3 10933 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|1,0,1]=4 10934 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|1,0,1]=4 10935 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,2,0,0,0,0|2,0,0]=4 10936 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,2,0,0,0,0|2,0,0]=4 10937 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [0,2,0,0,0,0|2,0,0]=4 10938 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [0,2,0,0,0,0|2,0,0]=4 10939 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 10940 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 10941 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [0,2,0,0,0,0|2,0,0]=4 10942 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [0,2,0,0,0,0|2,0,0]=4 10943 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,2,0,0,0,0|2,0,0]=4 10944 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,2,0,0,0,0|2,0,0]=4 10945 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|0,0,0]=2 10946 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|0,0,0]=2 10947 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|0,0,0]=2 10948 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|0,0,0]=2 10949 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,2,0,0,0,0|0,0,0]=2 10950 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,2,0,0,0,0|0,0,0]=2 10951 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 10952 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 10953 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|1,0,0]=3 10954 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|1,0,0]=3 10955 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,2,0,0,0,0|2,0,0]=4 10956 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,2,0,0,0,0|2,0,0]=4 10957 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,2,0,0,0,0|2,0,0]=4 10958 B9R0.51 CCCOC(F)(F)C(=O)[O-] 34a_100000210258_100020612412 [0,2,0,0,0,0|2,0,0]=4 10959 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,2,0,0,0,0|1,0,0]=3 10960 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,2,0,0,0,0|1,0,0]=3 10961 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,2,0,0,0,0|2,0,0]=4 10962 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,2,0,0,0,0|2,0,0]=4 10963 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100000210303_100009811971 [0,2,0,0,0,0|2,0,0]=4 10964 B9R0.51 CCCSC(F)(F)C(=O)N 62a_100009811971_100000210303 [0,2,0,0,0,0|2,0,0]=4 10965 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000210303_100000745680 [0,2,0,0,0,0|2,0,0]=4 10966 B9R0.51 CCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210303 [0,2,0,0,0,0|2,0,0]=4 10967 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 10968 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 10969 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|2,0,0]=4 10970 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,2,0,0,0,0|2,0,0]=4 10971 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,2,0,0,0,0|2,0,0]=4 10972 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,2,0,0,0,0|2,0,0]=4 10973 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,2,0,0,0,0|2,0,0]=4 10974 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [0,2,0,0,0,0|2,0,0]=4 10975 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [0,2,0,0,0,0|2,0,0]=4 10976 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [0,2,0,0,0,0|2,0,0]=4 10977 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [0,2,0,0,0,0|2,0,0]=4 10978 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [0,2,0,0,0,0|2,0,0]=4 10979 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,2,0,0,0,0|1,0,1]=4 10980 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,2,0,0,0,0|1,0,1]=4 10981 B9R0.21 CCC(C)CNS(=O)(=O)C 40a_100020588543_100000738038 [0,2,0,0,0,0|2,0,0]=4 10982 B9R0.21 CCC(O)CNS(=O)(=O)C 40a_100011218483_100000738038 [0,2,0,0,0,0|2,0,0]=4 10983 B9R0.21 CCN(C)CCS(=O)(=O)C 2230a_100000225621_100000731031 [0,2,0,0,0,0|2,0,0]=4 10984 B9R0.21 CCN(C)CCS(=O)(=O)C 2230a_100000750128_100000210202 [0,2,0,0,0,0|2,0,0]=4 10985 B9R0.21 CCN(C)CCS(=O)(=O)C 269982a_100000225621_100000731031 [0,2,0,0,0,0|2,0,0]=4 10986 B9R0.21 CCN(C)CCS(=O)(=O)C 269982a_100000750128_100000204670 [0,2,0,0,0,0|2,0,0]=4 10987 B9R0.21 CCN(C)CCS(=O)(=O)C 34a_100000750128_100000210202 [0,2,0,0,0,0|2,0,0]=4 10988 B9R0.43 C#CC(CC)OCC(=C)C 34a_100000758843_100000748629 [0,2,0,0,0,0|2,0,0]=4 10989 B9R0.43 C#CC(CC)OCC(=C)C 7a_100000758843_100000748629 [0,2,0,0,0,0|2,0,0]=4 10990 B9R0.43 C#CC(CC)OCC(=O)N 34a_100000758843_100000187820 [0,2,0,0,0,0|2,0,0]=4 10991 B9R0.43 C#CC(CC)OCC(=O)N 7a_100000758843_100000187820 [0,2,0,0,0,0|2,0,0]=4 10992 B9R0.43 C#CC(CC)OCC(=O)[O-] 34a_100000758843_100020667443 [0,2,0,0,0,0|2,0,0]=4 10993 B9R0.43 C=C(C)CCN(CC)CC 2230a_100000724800_100000730704 [0,2,0,0,0,0|2,0,0]=4 10994 B9R0.43 C=C(C)CCN(CC)CC 269956a_100000042499_100000730704 [0,2,0,0,0,0|2,0,0]=4 10995 B9R0.43 C=C(C)CCN(CC)CC 269982a_100000724800_100000730704 [0,2,0,0,0,0|2,0,0]=4 10996 B9R0.43 C=C(C)CNC(CC)CC 2230a_100000199018_100000748629 [0,2,0,0,0,0|2,0,0]=4 10997 B9R0.43 C=C(C)CN[C@@H](CC)CO 2230a_100000709445_100000748629 [0,2,0,0,0,0|2,0,0]=4 10998 B9R0.43 C=C(C)COC(CC)CC 7a_100000688536_100000748629 [0,2,0,0,0,0|2,0,0]=4 10999 B9R0.43 C=C(C)CSC(CC)CC 62a_100000210505_100000211660 [0,2,0,0,0,0|2,0,0]=4 11000 B9R0.43 C=C(C)CSC(CC)CC 62a_100000748629_100000210505 [0,2,0,0,0,0|2,0,0]=4 11001 B9R0.43 C=CC(CC)OCC(=C)C 34a_100000766422_100000748629 [0,2,0,0,0,0|2,0,0]=4 11002 B9R0.43 C=CC(CC)OCC(=C)C 7a_100000766422_100000748629 [0,2,0,0,0,0|2,0,0]=4 11003 B9R0.43 C=CC(CC)OCC(=O)N 34a_100000766422_100000187820 [0,2,0,0,0,0|2,0,0]=4 11004 B9R0.43 C=CC(CC)OCC(=O)N 7a_100000766422_100000187820 [0,2,0,0,0,0|2,0,0]=4 11005 B9R0.43 C=CC(CC)OCC(=O)[O-] 34a_100000766422_100020667443 [0,2,0,0,0,0|2,0,0]=4 11006 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,2,0,0,0,0|2,0,0]=4 11007 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,2,0,0,0,0|1,0,0]=3 11008 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,2,0,0,0,0|1,0,0]=3 11009 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,2,0,0,0,0|1,0,0]=3 11010 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,2,0,0,0,0|1,0,0]=3 11011 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [0,2,0,0,0,0|2,0,0]=4 11012 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|2,0,0]=4 11013 B9R0.43 CCC(CC)NNC(=O)C 22a_100000756293_100000070787 [0,2,0,0,0,0|2,0,0]=4 11014 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,2,0,0,0,0|1,0,0]=3 11015 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [0,2,0,0,0,0|2,0,0]=4 11016 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,2,0,0,0,0|1,0,0]=3 11017 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [0,2,0,0,0,0|2,0,0]=4 11018 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [0,2,0,0,0,0|2,0,0]=4 11019 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [0,2,0,0,0,0|2,0,0]=4 11020 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [0,2,0,0,0,0|2,0,0]=4 11021 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,2,0,0,0,0|1,0,1]=4 11022 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,2,0,0,0,0|1,0,1]=4 11023 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,2,0,0,0,0|1,0,1]=4 11024 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,2,0,0,0,0|1,0,1]=4 11025 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,2,0,0,0,0|1,0,0]=3 11026 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,2,0,0,0,0|1,0,0]=3 11027 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,2,0,0,0,0|1,0,0]=3 11028 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,2,0,0,0,0|1,0,0]=3 11029 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,2,0,0,0,0|1,0,0]=3 11030 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,2,0,0,0,0|1,0,0]=3 11031 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,2,0,0,0,0|1,0,0]=3 11032 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,2,0,0,0,0|1,0,0]=3 11033 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [0,2,0,0,0,0|2,0,0]=4 11034 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [0,2,0,0,0,0|2,0,0]=4 11035 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [0,2,0,0,0,0|2,0,0]=4 11036 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [0,2,0,0,0,0|2,0,0]=4 11037 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,2,0,0,0,0|1,0,0]=3 11038 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,2,0,0,0,0|2,0,0]=4 11039 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,2,0,0,0,0|2,0,0]=4 11040 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [0,2,0,0,0,0|2,0,0]=4 11041 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,2,0,0,0,0|1,0,0]=3 11042 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,2,0,0,0,0|1,0,0]=3 11043 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,2,0,0,0,0|1,0,0]=3 11044 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,2,0,0,0,0|2,0,0]=4 11045 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,2,0,0,0,0|2,0,0]=4 11046 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,2,0,0,0,0|2,0,0]=4 11047 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,2,0,0,0,0|2,0,0]=4 11048 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,2,0,0,0,0|2,0,0]=4 11049 B9R0.64 C=C(C)CNC(C)(C)CC 2230a_100000211385_100000748629 [0,2,0,0,0,0|2,0,0]=4 11050 B9R0.64 C=C(C)COC(C)(C)CC 7a_100000210230_100000748629 [0,2,0,0,0,0|2,0,0]=4 11051 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000032637_100000211660 [0,2,0,0,0,0|2,0,0]=4 11052 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000748629_100000032637 [0,2,0,0,0,0|2,0,0]=4 11053 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,2,0,0,0,0|2,0,0]=4 11054 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,2,0,0,0,0|2,0,0]=4 11055 B9R0.64 CC(=O)NCC(F)(F)CO 240690a_100000703232_100015343762 [0,2,0,0,0,0|2,0,0]=4 11056 B9R0.64 CC(=O)NCC(F)(F)CO 527a_100000703232_100103153847 [0,2,0,0,0,0|2,0,0]=4 11057 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,2,0,0,0,0|2,0,0]=4 11058 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,2,0,0,0,0|2,0,0]=4 11059 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,2,0,0,0,0|2,0,0]=4 11060 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,2,0,0,0,0|2,0,0]=4 11061 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,2,0,0,0,0|2,0,0]=4 11062 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,2,0,0,0,0|2,0,0]=4 11063 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,2,0,0,0,0|2,0,0]=4 11064 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,2,0,0,0,0|1,0,0]=3 11065 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,2,0,0,0,0|2,0,0]=4 11066 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,2,0,0,0,0|2,0,0]=4 11067 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,2,0,0,0,0|2,0,0]=4 11068 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,2,0,0,0,0|2,0,0]=4 11069 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [0,2,0,0,0,0|2,0,0]=4 11070 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [0,2,0,0,0,0|2,0,0]=4 11071 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [0,2,0,0,0,0|2,0,0]=4 11072 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [0,2,0,0,0,0|2,0,0]=4 11073 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [0,2,0,0,0,0|2,0,0]=4 11074 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [0,2,0,0,0,0|2,0,0]=4 11075 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [0,2,0,0,0,0|2,0,0]=4 11076 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [0,2,0,0,0,0|2,0,0]=4 11077 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,2,0,0,0,0|2,0,0]=4 11078 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [0,2,0,0,0,0|2,0,0]=4 11079 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [0,2,0,0,0,0|2,0,0]=4 11080 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [0,2,0,0,0,0|2,0,0]=4 11081 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,2,0,0,0,0|2,0,0]=4 11082 B9R0.56 C=C(C)COCC(C)(F)F 34a_100000068830_100000748629 [0,2,0,0,0,0|2,0,0]=4 11083 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [0,2,0,0,0,0|2,0,0]=4 11084 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [0,2,0,0,0,0|2,0,0]=4 11085 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [0,2,0,0,0,0|2,0,0]=4 11086 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [0,2,0,0,0,0|2,0,0]=4 11087 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,2,0,0,0,0|2,0,0]=4 11088 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,2,0,0,0,0|2,0,0]=4 11089 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000070787_100011216173 [0,2,0,0,0,0|1,0,0]=3 11090 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000764234_200000210301 [0,2,0,0,0,0|1,0,0]=3 11091 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [0,2,0,0,0,0|1,0,0]=3 11092 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [0,2,0,0,0,0|2,0,0]=4 11093 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [0,2,0,0,0,0|2,0,0]=4 11094 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [0,2,0,0,0,0|2,0,0]=4 11095 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,2,0,0,0,0|1,0,0]=3 11096 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,2,0,0,0,0|1,0,0]=3 11097 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,2,0,0,0,0|0,1,0]=3 11098 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000070787_100000754112 [0,2,0,0,0,0|2,0,0]=4 11099 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000165793_200000210301 [0,2,0,0,0,0|2,0,0]=4 11100 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,2,0,0,0,0|1,0,0]=3 11101 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,2,0,0,0,0|1,0,0]=3 11102 B9R0.56 CC(=O)CCOC(F)(F)F 34a_100000759926_200103152311 [0,2,0,0,0,0|2,0,0]=4 11103 B9R0.56 CC(=O)CCOC(F)(F)F 7a_100000759926_200000243211 [0,2,0,0,0,0|2,0,0]=4 11104 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [0,2,0,0,0,0|2,0,0]=4 11105 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,2,0,0,0,0|1,1,0]=4 11106 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,2,0,0,0,0|1,0,0]=3 11107 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,2,0,0,0,0|1,0,0]=3 11108 B9R0.56 CC(=O)CCSC(F)(F)F 62a_100000053229_200103152311 [0,2,0,0,0,0|2,0,0]=4 11109 B9R0.56 CC(=O)CCSC(F)(F)F 62a_200000243211_100000053229 [0,2,0,0,0,0|2,0,0]=4 11110 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,2,0,0,0,0|1,0,0]=3 11111 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,2,0,0,0,0|1,0,0]=3 11112 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,2,0,0,0,0|1,0,0]=3 11113 B9R0.56 CC(=O)COCC(F)(F)F 1458a_100000735257_200000210301 [0,2,0,0,0,0|2,0,0]=4 11114 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,2,0,0,0,0|1,0,0]=3 11115 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,2,0,0,0,0|1,0,0]=3 11116 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,2,0,0,0,0|1,0,0]=3 11117 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,2,0,0,0,0|1,0,0]=3 11118 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,2,0,0,0,0|1,0,0]=3 11119 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,2,0,0,0,0|1,0,0]=3 11120 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,2,0,0,0,0|1,0,0]=3 11121 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,2,0,0,0,0|1,0,0]=3 11122 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,2,0,0,0,0|1,0,0]=3 11123 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,2,0,0,0,0|1,0,0]=3 11124 B9R0.56 CC(=O)NCCC(F)(F)F 11a_100000740434_100015343762 [0,2,0,0,0,0|2,0,0]=4 11125 B9R0.56 CC(=O)NCCC(F)(F)F 1626a_100000740434_100015343762 [0,2,0,0,0,0|2,0,0]=4 11126 B9R0.56 CC(=O)NCCC(F)(F)F 240690a_100000740434_100015343762 [0,2,0,0,0,0|2,0,0]=4 11127 B9R0.56 CC(=O)NCCC(F)(F)F 527a_100000740434_100103153847 [0,2,0,0,0,0|2,0,0]=4 11128 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [0,2,0,0,0,0|2,0,0]=4 11129 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [0,2,0,0,0,0|2,0,0]=4 11130 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [0,2,0,0,0,0|2,0,0]=4 11131 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [0,2,0,0,0,0|2,0,0]=4 11132 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,2,0,0,0,0|2,0,0]=4 11133 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,2,0,0,0,0|2,0,0]=4 11134 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,2,0,0,0,0|2,0,0]=4 11135 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,2,0,0,0,0|2,0,0]=4 11136 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,2,0,0,0,0|2,0,0]=4 11137 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,2,0,0,0,0|2,0,0]=4 11138 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,2,0,0,0,0|2,0,0]=4 11139 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,2,0,0,0,0|2,0,0]=4 11140 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,2,0,0,0,0|2,0,0]=4 11141 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,2,0,0,0,0|2,0,0]=4 11142 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,2,0,0,0,0|2,0,0]=4 11143 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,2,0,0,0,0|2,0,0]=4 11144 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,2,0,0,0,0|2,0,0]=4 11145 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,2,0,0,0,0|2,0,0]=4 11146 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,2,0,0,0,0|2,0,0]=4 11147 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,2,0,0,0,0|2,0,0]=4 11148 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,2,0,0,0,0|2,0,0]=4 11149 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,2,0,0,0,0|2,0,0]=4 11150 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,2,0,0,0,0|2,0,0]=4 11151 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,2,0,0,0,0|2,0,0]=4 11152 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,2,0,0,0,0|2,0,0]=4 11153 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,2,0,0,0,0|2,0,0]=4 11154 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,2,0,0,0,0|2,0,0]=4 11155 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,2,0,0,0,0|2,0,0]=4 11156 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,2,0,0,0,0|2,0,0]=4 11157 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,2,0,0,0,0|2,0,0]=4 11158 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,2,0,0,0,0|2,0,0]=4 11159 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,2,0,0,0,0|2,0,0]=4 11160 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,2,0,0,0,0|2,0,0]=4 11161 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,2,0,0,0,0|2,0,0]=4 11162 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,2,0,0,0,0|2,0,0]=4 11163 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,2,0,0,0,0|2,0,0]=4 11164 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,2,0,0,0,0|2,0,0]=4 11165 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100000740961_100000210206 [0,2,0,0,0,0|2,0,0]=4 11166 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100138425928_100000731031 [0,2,0,0,0,0|2,0,0]=4 11167 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100000740961_100000210206 [0,2,0,0,0,0|2,0,0]=4 11168 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100138425928_100000731031 [0,2,0,0,0,0|2,0,0]=4 11169 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000211924_100000210206 [0,2,0,0,0,0|2,0,0]=4 11170 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000212225_100000731031 [0,2,0,0,0,0|2,0,0]=4 11171 B9R0.56 CC(C)OCCS(=O)(=O)C 7a_100000211924_100000210206 [0,2,0,0,0,0|2,0,0]=4 11172 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000210206_100000230027 [0,2,0,0,0,0|2,0,0]=4 11173 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000731031_100000210206 [0,2,0,0,0,0|2,0,0]=4 11174 B9R0.56 CC(F)(F)COCC(=O)N 34a_100000068830_100000187820 [0,2,0,0,0,0|2,0,0]=4 11175 B9R0.56 CC(F)(F)COCC(=O)[O-] 34a_100000068830_100020667443 [0,2,0,0,0,0|2,0,0]=4 11176 B9R0.56 CC(O)CCNS(=O)(=O)C 40a_200000755665_100000738038 [0,2,0,0,0,0|2,0,0]=4 11177 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [0,2,0,0,0,0|2,0,0]=4 11178 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [0,2,0,0,0,0|2,0,0]=4 11179 B9R0.56 CN(C)CCCS(=O)(=O)C 2230a_100102631434_100000754308 [0,2,0,0,0,0|2,0,0]=4 11180 B9R0.56 CN(C)CCCS(=O)(=O)C 269982a_100102631434_100000754308 [0,2,0,0,0,0|2,0,0]=4 11181 B9R0.56 CS(=O)(=O)NCCC(=O)[13CH3] 1458a_100000165793_200025704644 [0,2,0,0,0,0|2,0,0]=4 11182 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,2,0,0,0,0|1,0,0]=3 11183 B9R0.56 [13CH3]C(=O)CCCC(F)(F)F 1458a_100000764234_200025704644 [0,2,0,0,0,0|1,0,0]=3 11184 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [0,2,0,0,0,0|2,0,0]=4 11185 B9R0.56 [13CH3]C(=O)COCC(F)(F)F 1458a_100000735257_200025704644 [0,2,0,0,0,0|2,0,0]=4 11186 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 11187 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11188 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11189 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11190 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11191 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11192 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11193 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 11194 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [1,0,0,1,0,0|2,0,0]=4 11195 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [1,0,0,1,0,0|2,0,0]=4 11196 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 11197 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 11198 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 11199 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 11200 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|1,0,0]=3 11201 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|1,0,0]=3 11202 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|0,0,0]=2 11203 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|1,0,0]=3 11204 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|0,0,0]=2 11205 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|1,0,0]=3 11206 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|0,0,0]=2 11207 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|0,0,0]=2 11208 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|1,0,0]=3 11209 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|1,0,0]=3 11210 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|1,0,0]=3 11211 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 11212 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 11213 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|1,0,0]=3 11214 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 11215 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 11216 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [1,0,0,1,0,0|2,0,0]=4 11217 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [1,0,0,1,0,0|2,0,0]=4 11218 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 11219 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 11220 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 11221 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 11222 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|0,0,0]=2 11223 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|1,0,0]=3 11224 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|1,0,0]=3 11225 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,0]=2 11226 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,0]=2 11227 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 11228 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,0,0]=3 11229 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 11230 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 11231 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 11232 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|1,0,0]=3 11233 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 11234 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [1,0,0,1,0,0|2,0,0]=4 11235 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 11236 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [1,0,0,1,0,0|2,0,0]=4 11237 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 11238 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 11239 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,0]=2 11240 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,1,0,0|1,0,1]=4 11241 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|1,0,1]=4 11242 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|1,0,1]=4 11243 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,1,0,0|2,0,0]=4 11244 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,1,0,0|2,0,0]=4 11245 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [1,0,0,1,0,0|1,0,1]=4 11246 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,1,0,0|1,0,0]=3 11247 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,1,0,0|1,0,0]=3 11248 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,1,0,0|1,0,0]=3 11249 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,1,0,0|1,0,0]=3 11250 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,1,0,0|1,0,0]=3 11251 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,1,0,0|1,0,0]=3 11252 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,0,0,1,0,0|2,0,0]=4 11253 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,0,0,1,0,0|2,0,0]=4 11254 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,0,0,1,0,0|2,0,0]=4 11255 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,0,0,1,0,0|2,0,0]=4 11256 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,0,0,1,0,0|2,0,0]=4 11257 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,0,0,1,0,0|2,0,0]=4 11258 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,0,0,1,0,0|2,0,0]=4 11259 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,0,0,1,0,0|2,0,0]=4 11260 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|1,0,0]=3 11261 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|1,0,0]=3 11262 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|1,0,0]=3 11263 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|2,0,0]=4 11264 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,1,0,0|2,0,0]=4 11265 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|2,0,0]=4 11266 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,1,0,0|2,0,0]=4 11267 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|1,0,0]=3 11268 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|1,0,0]=3 11269 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,0,0,1,0,0|2,0,0]=4 11270 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [1,0,0,1,0,0|1,0,1]=4 11271 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,1,0,0|1,0,0]=3 11272 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,1,0,0|1,0,0]=3 11273 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,0,0,1,0,0|2,0,0]=4 11274 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,0,0,1,0,0|2,0,0]=4 11275 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,0,0,1,0,0|2,0,0]=4 11276 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|1,0,0]=3 11277 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|1,0,0]=3 11278 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|2,0,0]=4 11279 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|2,0,0]=4 11280 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,1,0,0|2,0,0]=4 11281 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|1,0,0]=3 11282 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|1,0,0]=3 11283 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,0,0,1,0,0|2,0,0]=4 11284 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 11285 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 11286 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,1,0,0|2,0,0]=4 11287 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 11288 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 11289 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,1,0,0|2,0,0]=4 11290 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|1,0,0]=3 11291 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|1,0,0]=3 11292 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|1,0,0]=3 11293 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|1,0,0]=3 11294 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|1,0,0]=3 11295 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|1,0,0]=3 11296 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|1,0,0]=3 11297 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|1,0,0]=3 11298 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|1,0,0]=3 11299 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|1,0,0]=3 11300 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [1,0,0,1,0,0|1,0,1]=4 11301 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|1,0,1]=4 11302 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,1,0,0|1,0,1]=4 11303 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,1,0,0|1,0,1]=4 11304 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,1,0,0|1,0,1]=4 11305 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [1,0,0,1,0,0|2,0,0]=4 11306 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 11307 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 11308 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [1,0,0,1,0,0|2,0,0]=4 11309 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [1,0,0,1,0,0|2,0,0]=4 11310 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|1,0,1]=4 11311 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [1,0,0,1,0,0|2,0,0]=4 11312 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,1,0,0|1,0,0]=3 11313 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,1,0,0|1,0,0]=3 11314 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,1,0,0|1,0,0]=3 11315 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,1,0,0|1,0,0]=3 11316 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,1,0,0|1,0,0]=3 11317 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,1,0,0|1,0,0]=3 11318 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 11319 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [1,0,0,1,0,0|2,0,0]=4 11320 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 11321 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [1,0,0,1,0,0|2,0,0]=4 11322 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [1,0,0,1,0,0|2,0,0]=4 11323 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [1,0,0,1,0,0|2,0,0]=4 11324 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [1,0,0,1,0,0|2,0,0]=4 11325 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [1,0,0,1,0,0|2,0,0]=4 11326 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 11327 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 11328 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,1,0,0|1,0,0]=3 11329 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,1,0,0|1,0,0]=3 11330 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [1,0,0,1,0,0|2,0,0]=4 11331 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [1,0,0,1,0,0|2,0,0]=4 11332 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [1,0,0,1,0,0|2,0,0]=4 11333 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [1,0,0,1,0,0|2,0,0]=4 11334 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [1,0,0,1,0,0|2,0,0]=4 11335 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [1,0,0,1,0,0|2,0,0]=4 11336 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|1,0,0]=3 11337 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|1,0,0]=3 11338 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|2,0,0]=4 11339 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|2,0,0]=4 11340 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [1,0,0,1,0,0|2,0,0]=4 11341 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [1,0,0,1,0,0|2,0,0]=4 11342 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [1,0,0,1,0,0|2,0,0]=4 11343 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|1,0,0]=3 11344 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,1,0,0|1,0,0]=3 11345 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,1,0,0|1,0,0]=3 11346 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [1,0,0,1,0,0|2,0,0]=4 11347 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [1,0,0,1,0,0|2,0,0]=4 11348 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 11349 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 11350 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,1,0,0|1,0,0]=3 11351 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [1,0,0,1,0,0|2,0,0]=4 11352 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [1,0,0,1,0,0|2,0,0]=4 11353 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [1,0,0,1,0,0|2,0,0]=4 11354 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|1,0,0]=3 11355 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|1,0,0]=3 11356 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|2,0,0]=4 11357 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|2,0,0]=4 11358 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [1,0,0,1,0,0|2,0,0]=4 11359 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [1,0,0,1,0,0|2,0,0]=4 11360 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [1,0,0,1,0,0|1,0,1]=4 11361 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [1,0,0,1,0,0|1,0,1]=4 11362 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,0]=3 11363 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,0]=3 11364 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,0,0]=3 11365 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,0]=3 11366 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,0]=3 11367 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,0]=3 11368 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,0]=3 11369 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,1,0,1,0,0|0,0,2]=4 11370 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,1,0,1,0,0|0,0,2]=4 11371 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,1,0,1,0,0|1,0,1]=4 11372 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,1,0,1,0,0|1,0,1]=4 11373 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,1,0,1,0,0|1,0,1]=4 11374 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,1,0,1,0,0|1,0,1]=4 11375 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,1,0,1,0,0|1,0,1]=4 11376 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,1,0,1,0,0|1,0,1]=4 11377 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,1,0,1,0,0|1,0,0]=3 11378 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,1,0,0|1,0,1]=4 11379 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|0,0,2]=4 11380 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,1,0,1,0,0|1,0,0]=3 11381 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|0,0,2]=4 11382 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|0,0,0]=2 11383 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|1,0,1]=4 11384 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,1,0,1,0,0|1,0,0]=3 11385 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|2,0,0]=4 11386 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,1,0,1,0,0|2,0,0]=4 11387 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,1,0,1,0,0|2,0,0]=4 11388 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,1,0,1,0,0|2,0,0]=4 11389 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,1,0,1,0,0|2,0,0]=4 11390 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,1,0,1,0,0|2,0,0]=4 11391 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,1,0,1,0,0|2,0,0]=4 11392 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,1,0,1,0,0|2,0,0]=4 11393 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|2,0,0]=4 11394 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 11395 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 11396 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 11397 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,1,0,1,0,0|2,0,0]=4 11398 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,1,0,1,0,0|2,0,0]=4 11399 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,1,0,1,0,0|2,0,0]=4 11400 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,1,0,1,0,0|2,0,0]=4 11401 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 11402 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,1,0,1,0,0|1,0,0]=3 11403 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 11404 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|2,0,0]=4 11405 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 11406 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|2,0,0]=4 11407 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,1,0,0|1,0,0]=3 11408 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,1,0,0|1,0,0]=3 11409 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,1,0,0|1,0,0]=3 11410 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,1,0,0|1,0,0]=3 11411 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,1,0,1,0,0|2,0,0]=4 11412 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,1,0,1,0,0|2,0,0]=4 11413 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,1,0,1,0,0|2,0,0]=4 11414 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|1,0,0]=3 11415 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 11416 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 11417 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 11418 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,1,0,1,0,0|2,0,0]=4 11419 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 11420 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 11421 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 11422 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|1,0,0]=3 11423 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|2,0,0]=4 11424 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|2,0,0]=4 11425 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|2,0,0]=4 11426 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,1,0,1,0,0|2,0,0]=4 11427 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|2,0,0]=4 11428 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,1,0,1,0,0|2,0,0]=4 11429 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,1,0,1,0,0|2,0,0]=4 11430 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|2,0,0]=4 11431 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|2,0,0]=4 11432 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|2,0,0]=4 11433 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|2,0,0]=4 11434 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,1,0,1,0,0|2,0,0]=4 11435 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,1,0,0|1,0,0]=3 11436 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,1,0,0|1,0,0]=3 11437 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,1,0,1,0,0|2,0,0]=4 11438 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,1,0,1,0,0|2,0,0]=4 11439 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,1,0,1,0,0|2,0,0]=4 11440 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|1,0,0]=3 11441 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,1,0,1,0,0|2,0,0]=4 11442 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|2,0,0]=4 11443 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 11444 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 11445 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 11446 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 11447 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,1,0,1,0,0|1,0,0]=3 11448 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,1,0,0|1,0,0]=3 11449 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,1,0,0|1,0,0]=3 11450 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|1,0,0]=3 11451 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|1,0,0]=3 11452 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|2,0,0]=4 11453 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|2,0,0]=4 11454 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|2,0,0]=4 11455 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|2,0,0]=4 11456 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|2,0,0]=4 11457 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,1,0,0|1,0,0]=3 11458 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,1,0,0|1,0,0]=3 11459 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,1,0,1,0,0|2,0,0]=4 11460 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,1,0,1,0,0|2,0,0]=4 11461 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,1,0,1,0,0|1,0,0]=3 11462 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,1,0,1,0,0|1,0,0]=3 11463 B9R1.13 C=C(C)CN1CCSC1 2230a_100011215254_100000748629 [0,1,0,1,0,0|2,0,0]=4 11464 B9R1.13 C=C(C)CN1CCSC1 269982a_100011215254_100000748629 [0,1,0,1,0,0|2,0,0]=4 11465 B9R1.13 C=C(F)CN1CCCC1 2230a_100000188435_100009893438 [0,1,0,1,0,0|1,0,1]=4 11466 B9R1.13 C=C(F)CN1CCCC1 269982a_100000188435_100009893438 [0,1,0,1,0,0|1,0,1]=4 11467 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,1,0,0|0,0,1]=3 11468 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,1,0,1,0,0|0,0,1]=3 11469 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,1,0,1,0,0|0,0,1]=3 11470 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,1,0,1,0,0|0,0,1]=3 11471 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,1,0,1,0,0|0,0,0]=2 11472 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,1,0,1,0,0|0,0,0]=2 11473 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,1,0,0|0,0,0]=2 11474 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,1,0,1,0,0|0,0,0]=2 11475 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,1,0,1,0,0|0,0,0]=2 11476 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,1,0,1,0,0|1,0,0]=3 11477 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,1,0,1,0,0|0,0,0]=2 11478 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,1,0,1,0,0|0,0,2]=4 11479 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,1,0,1,0,0|0,0,2]=4 11480 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,1,0,1,0,0|0,0,2]=4 11481 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,1,0,1,0,0|0,0,2]=4 11482 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,1,0,1,0,0|0,0,0]=2 11483 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,1,0,1,0,0|0,0,0]=2 11484 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,1,0,1,0,0|0,0,0]=2 11485 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,1,0,1,0,0|0,0,0]=2 11486 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,1,0,1,0,0|1,0,0]=3 11487 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,1,0,1,0,0|1,0,0]=3 11488 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,1,0,1,0,0|1,0,0]=3 11489 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,1,0,1,0,0|1,0,0]=3 11490 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,1,0,1,0,0|1,0,0]=3 11491 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,1,0,1,0,0|1,0,0]=3 11492 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [0,1,0,1,0,0|1,0,1]=4 11493 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [0,1,0,1,0,0|1,0,1]=4 11494 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [0,1,0,1,0,0|1,0,1]=4 11495 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [0,1,0,1,0,0|1,0,1]=4 11496 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [0,1,0,1,0,0|1,0,1]=4 11497 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [0,1,0,1,0,0|1,0,1]=4 11498 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [0,1,0,1,0,0|1,0,1]=4 11499 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,1,0,1,0,0|1,0,1]=4 11500 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,1,0,1,0,0|1,0,1]=4 11501 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,1,0,1,0,0|1,0,1]=4 11502 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [0,1,0,1,0,0|1,0,1]=4 11503 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [0,1,0,1,0,0|1,0,1]=4 11504 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,1,0,1,0,0|0,0,2]=4 11505 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,1,0,1,0,0|0,0,2]=4 11506 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [0,1,0,1,0,0|2,0,0]=4 11507 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [0,1,0,1,0,0|2,0,0]=4 11508 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,1,0,1,0,0|2,0,0]=4 11509 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,1,0,1,0,0|2,0,0]=4 11510 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,1,0,1,0,0|2,0,0]=4 11511 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,1,0,1,0,0|2,0,0]=4 11512 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,1,0,1,0,0|2,0,0]=4 11513 B9R1.13 CN(C)CC1CCOC1 2230a_100000684583_200000210301 [0,1,0,1,0,0|2,0,0]=4 11514 B9R1.13 CN(C)CC1CCOC1 2230a_100102631434_100000702531 [0,1,0,1,0,0|2,0,0]=4 11515 B9R1.13 CN(C)CC1CCOC1 269982a_100000684583_200000210301 [0,1,0,1,0,0|2,0,0]=4 11516 B9R1.13 CN(C)CC1CCOC1 269982a_100102631434_100000702531 [0,1,0,1,0,0|2,0,0]=4 11517 B9R1.13 CN(C)CC1CCOC1 34a_100000684583_200000210301 [0,1,0,1,0,0|2,0,0]=4 11518 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,1,0,1,0,0|2,0,0]=4 11519 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,1,0,1,0,0|2,0,0]=4 11520 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,1,0,1,0,0|2,0,0]=4 11521 B9R1.13 CN([13CH3])CC1CCOC1 2230a_100000684583_200025704644 [0,1,0,1,0,0|2,0,0]=4 11522 B9R1.13 CN([13CH3])CC1CCOC1 269982a_100000684583_200025704644 [0,1,0,1,0,0|2,0,0]=4 11523 B9R1.13 CN([13CH3])CC1CCOC1 34a_100000684583_200025704644 [0,1,0,1,0,0|2,0,0]=4 11524 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,1,0,1,0,0|0,0,2]=4 11525 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,1,0,1,0,0|0,0,2]=4 11526 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,1,0,1,0,0|1,0,0]=3 11527 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,1,0,1,0,0|1,0,0]=3 11528 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [0,1,0,1,0,0|2,0,0]=4 11529 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [0,1,0,1,0,0|2,0,0]=4 11530 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,1,0,1,0,0|1,0,0]=3 11531 B9R1.13 O=C([O-])CN1CCSC1 269982a_100011215254_100020667443 [0,1,0,1,0,0|2,0,0]=4 11532 B9R1.13 O=[N+]([O-])CN1CCCC1 269982a_100000188435_100000761209 [0,1,0,1,0,0|2,0,0]=4 11533 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,1,0,0|0,0,1]=3 11534 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,1,0,1,0,0|0,0,1]=3 11535 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,1,0,1,0,0|0,0,1]=3 11536 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,1,0,1,0,0|0,0,1]=3 11537 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,1,0,1,0,0|0,0,0]=2 11538 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,1,0,1,0,0|0,0,0]=2 11539 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,1,0,1,0,0|0,0,0]=2 11540 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,1,0,1,0,0|2,0,0]=4 11541 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,1,0,1,0,0|2,0,0]=4 11542 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,1,0,1,0,0|2,0,0]=4 11543 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,1,0,1,0,0|2,0,0]=4 11544 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,1,0,1,0,0|2,0,0]=4 11545 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,1,0,1,0,0|2,0,0]=4 11546 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|0,0,1]=3 11547 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,1,0,0|0,0,0]=2 11548 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|1,0,1]=4 11549 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,1,0,0|0,0,0]=2 11550 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,1,0,0|0,0,0]=2 11551 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,1,0,0|0,0,0]=2 11552 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,1,0,0|0,0,0]=2 11553 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,1,0,0|0,0,0]=2 11554 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,1,0,1,0,0|1,0,0]=3 11555 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,1,0,1,0,0|1,0,0]=3 11556 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,1,0,1,0,0|1,0,0]=3 11557 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,1,0,1,0,0|1,0,0]=3 11558 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,1,0,0|0,0,0]=2 11559 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [0,1,0,1,0,0|1,0,1]=4 11560 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [0,1,0,1,0,0|1,0,1]=4 11561 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [0,1,0,1,0,0|1,0,1]=4 11562 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [0,1,0,1,0,0|1,0,1]=4 11563 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [0,1,0,1,0,0|1,0,1]=4 11564 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [0,1,0,1,0,0|1,0,1]=4 11565 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [0,1,0,1,0,0|1,0,1]=4 11566 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [0,1,0,1,0,0|1,0,1]=4 11567 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [0,1,0,1,0,0|1,0,1]=4 11568 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [0,1,0,1,0,0|1,0,1]=4 11569 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [0,1,0,1,0,0|1,0,1]=4 11570 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,1,0,0|0,0,0]=2 11571 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,1,0,1,0,0|2,0,0]=4 11572 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 269982a_100102631434_200016002552 [0,1,0,1,0,0|2,0,0]=4 11573 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,1,0,0|1,0,0]=3 11574 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|1,0,0]=3 11575 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,1,0,0|0,0,0]=2 11576 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|2,0,0]=4 11577 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,1,0,0|2,0,0]=4 11578 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,1,0,0|1,0,0]=3 11579 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|1,0,0]=3 11580 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|2,0,0]=4 11581 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,1,0,0|2,0,0]=4 11582 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,1,0,0|0,0,2]=4 11583 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,1,0,0|0,0,2]=4 11584 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|1,0,0]=3 11585 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,1,0,0|0,0,2]=4 11586 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,1,0,0|0,0,2]=4 11587 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|1,0,0]=3 11588 B9R1.53 C=C(C)CN1CC(C1)C 2230a_100000702820_100000748629 [0,1,0,1,0,0|2,0,0]=4 11589 B9R1.53 C=C(C)CN1CC(C1)C 269982a_100000702820_100000748629 [0,1,0,1,0,0|2,0,0]=4 11590 B9R1.53 C=C(C)CN1CC(C1)C 34a_100000702820_100000748629 [0,1,0,1,0,0|2,0,0]=4 11591 B9R1.53 C=C(C)CN1CC(C1)F 2230a_100000690557_100000748629 [0,1,0,1,0,0|2,0,0]=4 11592 B9R1.53 C=C(C)CN1CC(C1)F 269982a_100000690557_100000748629 [0,1,0,1,0,0|2,0,0]=4 11593 B9R1.53 C=C(C)CN1CC(C1)F 34a_100000690557_100000748629 [0,1,0,1,0,0|2,0,0]=4 11594 B9R1.53 C=C(C)CN1CC(C1)O 269982a_100000749847_100000748629 [0,1,0,1,0,0|2,0,0]=4 11595 B9R1.53 C=C1CC(C1)NC(=O)C 11a_100132301982_100015343762 [0,1,0,1,0,0|1,0,1]=4 11596 B9R1.53 C=C1CC(C1)NC(=O)C 1626a_100132301982_100015343762 [0,1,0,1,0,0|1,0,1]=4 11597 B9R1.53 C=C1CC(C1)NC(=O)C 527a_100132301982_100103153847 [0,1,0,1,0,0|1,0,1]=4 11598 B9R1.53 C=C1CC(C1)NC(C)C 2230a_100132301982_100000210206 [0,1,0,1,0,0|2,0,0]=4 11599 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,1,0,1,0,0|0,0,1]=3 11600 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,1,0,1,0,0|1,0,0]=3 11601 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,1,0,1,0,0|1,0,0]=3 11602 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,1,0,1,0,0|1,0,0]=3 11603 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,1,0,1,0,0|1,0,0]=3 11604 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,1,0,1,0,0|2,0,0]=4 11605 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,1,0,1,0,0|1,0,0]=3 11606 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,1,0,1,0,0|1,0,0]=3 11607 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,1,0,1,0,0|1,0,0]=3 11608 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,1,0,1,0,0|1,0,0]=3 11609 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,1,0,1,0,0|2,0,0]=4 11610 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,1,0,1,0,0|2,0,0]=4 11611 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [0,1,0,1,0,0|2,0,0]=4 11612 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [0,1,0,1,0,0|2,0,0]=4 11613 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [0,1,0,1,0,0|2,0,0]=4 11614 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [0,1,0,1,0,0|2,0,0]=4 11615 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [0,1,0,1,0,0|2,0,0]=4 11616 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [0,1,0,1,0,0|2,0,0]=4 11617 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,1,0,1,0,0|1,0,0]=3 11618 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,1,0,1,0,0|2,0,0]=4 11619 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,1,0,1,0,0|2,0,0]=4 11620 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,1,0,1,0,0|2,0,0]=4 11621 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,1,0,1,0,0|2,0,0]=4 11622 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,1,0,1,0,0|2,0,0]=4 11623 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,1,0,1,0,0|1,0,0]=3 11624 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,1,0,1,0,0|1,0,0]=3 11625 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,1,0,1,0,0|2,0,0]=4 11626 B9R1.53 NC(=O)CN1CC(C1)F 2230a_100000690557_100000747473 [0,1,0,1,0,0|2,0,0]=4 11627 B9R1.53 NC(=O)CN1CC(C1)F 269982a_100000690557_100000187820 [0,1,0,1,0,0|2,0,0]=4 11628 B9R1.53 NC(=O)CN1CC(C1)F 34a_100000690557_100000187820 [0,1,0,1,0,0|2,0,0]=4 11629 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,1,0,1,0,0|2,0,0]=4 11630 B9R1.53 O=C([O-])CN1CC(C1)F 269982a_100000690557_100020667443 [0,1,0,1,0,0|2,0,0]=4 11631 B9R1.53 O=C([O-])CN1CC(C1)F 34a_100000690557_100020667443 [0,1,0,1,0,0|2,0,0]=4 11632 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,1,0,1,0,0|2,0,0]=4 11633 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,1,0,1,0,0|2,0,0]=4 11634 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,1,0,1,0,0|2,0,0]=4 11635 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,1,0,1,0,0|2,0,0]=4 11636 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,1,0,1,0,0|2,0,0]=4 11637 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,1,0,1,0,0|2,0,0]=4 11638 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,1,0,1,0,0|2,0,0]=4 11639 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,1,0,1,0,0|2,0,0]=4 11640 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,1,0,1,0,0|2,0,0]=4 11641 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,1,0,1,0,0|2,0,0]=4 11642 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,1,0,1,0,0|2,0,0]=4 11643 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,1,0,1,0,0|2,0,0]=4 11644 B9R1.136 CCNC1CS(=O)(=O)C1 2230a_100000695474_100000210202 [0,1,0,1,0,0|2,0,0]=4 11645 B9R1.136 CCNC1CS(=O)(=O)C1 34a_100000695474_100000210202 [0,1,0,1,0,0|2,0,0]=4 11646 B9R1.136 CCOC1CS(=O)(=O)C1 34a_100000072295_100000210202 [0,1,0,1,0,0|2,0,0]=4 11647 B9R1.136 CCOC1CS(=O)(=O)C1 7a_100000072295_100000210202 [0,1,0,1,0,0|2,0,0]=4 11648 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,1,0,1,0,0|1,0,1]=4 11649 B9R1.137 C=C(C)CN(C)C1CC1 2230a_100000226674_100000748629 [0,1,0,1,0,0|2,0,0]=4 11650 B9R1.137 C=C(C)CN(C)C1CC1 269982a_100000225649_100000211595 [0,1,0,1,0,0|2,0,0]=4 11651 B9R1.137 C=C(C)CN(C)C1CC1 269982a_100000226674_100000748629 [0,1,0,1,0,0|2,0,0]=4 11652 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,1,0,1,0,0|0,0,2]=4 11653 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,1,0,1,0,0|0,0,2]=4 11654 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|0,0,1]=3 11655 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,1,0,1,0,0|1,0,0]=3 11656 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,1,0,1,0,0|1,0,0]=3 11657 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,1,0,1,0,0|1,0,0]=3 11658 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,1,0,1,0,0|1,0,0]=3 11659 B9R1.137 CN(CC(=O)N)C1CC1 2230a_100000226674_100000747473 [0,1,0,1,0,0|2,0,0]=4 11660 B9R1.137 CN(CC(=O)N)C1CC1 269982a_100000226674_100000187820 [0,1,0,1,0,0|2,0,0]=4 11661 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|2,0,0]=4 11662 B9R1.137 CN(CC(=O)[O-])C1CC1 269982a_100000226674_100020667443 [0,1,0,1,0,0|2,0,0]=4 11663 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,1,0,1,0,0|1,0,1]=4 11664 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,1,0,1,0,0|1,0,1]=4 11665 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,1,0,1,0,0|0,0,0]=2 11666 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,1,0,1,0,0|1,0,0]=3 11667 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,1,0,1,0,0|1,0,0]=3 11668 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,1,0,1,0,0|1,0,0]=3 11669 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,1,0,1,0,0|1,0,0]=3 11670 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,1,0,1,0,0|1,0,0]=3 11671 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,1,0,1,0,0|2,0,0]=4 11672 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,1,0,1,0,0|2,0,0]=4 11673 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,1,0,1,0,0|2,0,0]=4 11674 B9R1.171 CN(C)CC1(CCC1)C 2230a_100102631434_100000726658 [0,1,0,1,0,0|2,0,0]=4 11675 B9R1.171 CN(C)CC1(CCC1)C 269982a_100102631434_100000726658 [0,1,0,1,0,0|2,0,0]=4 11676 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,1,0,0|2,0,0]=4 11677 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,1,0,1,0,0|2,0,0]=4 11678 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,1,0,1,0,0|2,0,0]=4 11679 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,1,0,1,0,0|2,0,0]=4 11680 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 11681 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 11682 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 11683 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 11684 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 11685 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 11686 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,1,0,0|2,0,0]=4 11687 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,1,0,0|2,0,0]=4 11688 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,1,0,0|2,0,0]=4 11689 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,1,0,1,0,0|2,0,0]=4 11690 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,1,0,1,0,0|2,0,0]=4 11691 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 11692 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 11693 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 11694 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 11695 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|1,0,0]=3 11696 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,1,0,0|2,0,0]=4 11697 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 11698 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 11699 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 11700 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 11701 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|1,0,0]=3 11702 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,1,0,0|2,0,0]=4 11703 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,1,0,0|1,0,0]=3 11704 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,1,0,1,0,0|1,0,1]=4 11705 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,1,0,1,0,0|1,0,1]=4 11706 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,1,0,1,0,0|0,0,2]=4 11707 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11708 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11709 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 11710 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11711 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11712 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 11713 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,1,0,1,0,0|1,0,1]=4 11714 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,1,0,1,0,0|1,0,1]=4 11715 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,1,0,1,0,0|1,0,1]=4 11716 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,1,0,1,0,0|1,0,1]=4 11717 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,1,0,1,0,0|1,0,1]=4 11718 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,1,0,1,0,0|1,0,1]=4 11719 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,1,0,1,0,0|0,0,2]=4 11720 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,1,0,1,0,0|0,0,2]=4 11721 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,1,0,1,0,0|1,0,1]=4 11722 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,1,0,1,0,0|1,0,1]=4 11723 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,1,0,1,0,0|1,0,1]=4 11724 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|1,0,0]=3 11725 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 11726 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,1,0,1,0,0|2,0,0]=4 11727 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,1,0,1,0,0|2,0,0]=4 11728 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,1,0,1,0,0|2,0,0]=4 11729 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,1,0,1,0,0|2,0,0]=4 11730 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,1,0,1,0,0|2,0,0]=4 11731 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,1,0,1,0,0|2,0,0]=4 11732 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,1,0,1,0,0|1,0,1]=4 11733 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,1,0,1,0,0|1,0,1]=4 11734 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,1,0,1,0,0|1,0,1]=4 11735 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,1,0,1,0,0|0,0,2]=4 11736 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,1,0,1,0,0|0,0,2]=4 11737 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 11738 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 11739 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,1,0,0|1,0,0]=3 11740 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|0,0,0]=2 11741 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,1,0,1,0,0|0,0,2]=4 11742 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,1,0,1,0,0|2,0,0]=4 11743 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,1,0,1,0,0|2,0,0]=4 11744 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,1,0,1,0,0|2,0,0]=4 11745 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,1,0,1,0,0|2,0,0]=4 11746 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,1,0,1,0,0|2,0,0]=4 11747 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,1,0,1,0,0|2,0,0]=4 11748 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,0,0]=3 11749 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,1,0,1,0,0|2,0,0]=4 11750 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,1,0,1,0,0|2,0,0]=4 11751 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,1,0,1,0,0|2,0,0]=4 11752 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,1,0,1,0,0|2,0,0]=4 11753 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,1,0,1,0,0|2,0,0]=4 11754 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,1,0,1,0,0|2,0,0]=4 11755 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,1,0,1,0,0|2,0,0]=4 11756 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,1,0,1,0,0|2,0,0]=4 11757 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,1,0,1,0,0|0,0,2]=4 11758 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 11759 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 11760 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|0,0,0]=2 11761 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,0,0]=3 11762 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 11763 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 11764 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 11765 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 11766 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 11767 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 11768 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,1,0,1,0,0|1,0,1]=4 11769 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,1,0,1,0,0|1,0,1]=4 11770 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,1,0,1,0,0|1,0,1]=4 11771 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,1,0,1,0,0|1,0,1]=4 11772 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,1,0,1,0,0|1,0,1]=4 11773 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,1,0,1,0,0|1,0,1]=4 11774 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,1,0,0|0,0,1]=3 11775 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,1,0,0|1,0,1]=4 11776 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,1,0,0|0,0,1]=3 11777 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,1,0,0|1,0,1]=4 11778 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,1,0,0|1,0,1]=4 11779 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,1,0,1,0,0|1,0,1]=4 11780 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,1,0,1,0,0|1,0,1]=4 11781 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,1,0,0|0,0,2]=4 11782 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,1,0,0|0,0,2]=4 11783 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|0,0,2]=4 11784 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,1,0,0|0,0,2]=4 11785 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|0,0,0]=2 11786 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|0,0,0]=2 11787 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|1,0,0]=3 11788 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|1,0,0]=3 11789 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|1,0,0]=3 11790 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|1,0,0]=3 11791 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|1,0,0]=3 11792 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,1,0,1,0,0|2,0,0]=4 11793 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,1,0,1,0,0|2,0,0]=4 11794 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,1,0,1,0,0|2,0,0]=4 11795 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|1,0,0]=3 11796 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,1,0,1,0,0|2,0,0]=4 11797 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,1,0,1,0,0|2,0,0]=4 11798 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,1,0,1,0,0|2,0,0]=4 11799 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,1,0,1,0,0|2,0,0]=4 11800 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,1,0,1,0,0|2,0,0]=4 11801 B9R1.11 CN(CF)C1CCCC1 269982a_100000207505_100015361967 [0,1,0,1,0,0|2,0,0]=4 11802 B9R1.11 CN(CF)C1CCCC1 34a_100000207505_100015361967 [0,1,0,1,0,0|2,0,0]=4 11803 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|0,0,2]=4 11804 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|0,0,2]=4 11805 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|0,0,2]=4 11806 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,1,0,0|0,0,2]=4 11807 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,1,0,0|0,0,2]=4 11808 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,1,0,0|0,0,2]=4 11809 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,1,0,0|0,0,2]=4 11810 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|0,0,0]=2 11811 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|0,0,0]=2 11812 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|0,0,0]=2 11813 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|0,0,0]=2 11814 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|1,0,0]=3 11815 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 11816 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 11817 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|1,0,0]=3 11818 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,1,0,0|1,0,0]=3 11819 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 11820 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 11821 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,1,0,0|1,0,0]=3 11822 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|1,0,0]=3 11823 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|1,0,0]=3 11824 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,1,0,1,0,0|2,0,0]=4 11825 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,1,0,1,0,0|2,0,0]=4 11826 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|1,0,0]=3 11827 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 11828 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 11829 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 11830 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,1,0,1,0,0|1,0,1]=4 11831 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,1,0,1,0,0|1,0,1]=4 11832 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,1,0,1,0,0|1,0,1]=4 11833 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,1,0,1,0,0|1,0,1]=4 11834 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,1,0,0|0,0,2]=4 11835 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,1,0,0|0,0,2]=4 11836 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|0,0,2]=4 11837 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,1,0,1,0,0|0,0,2]=4 11838 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|0,0,0]=2 11839 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|1,0,0]=3 11840 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,1,0,0|1,0,0]=3 11841 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|1,0,0]=3 11842 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|0,0,0]=2 11843 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|1,0,0]=3 11844 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|1,0,0]=3 11845 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|1,0,0]=3 11846 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 11847 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,1,0,0|2,0,0]=4 11848 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,1,0,1,0,0|1,0,1]=4 11849 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,1,0,1,0,0|1,0,1]=4 11850 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,1,0,1,0,0|1,0,1]=4 11851 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,1,0,1,0,0|1,0,1]=4 11852 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,1,0,1,0,0|1,0,1]=4 11853 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,1,0,1,0,0|2,0,0]=4 11854 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,1,0,1,0,0|1,0,1]=4 11855 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|1,0,0]=3 11856 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|1,0,0]=3 11857 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|1,0,0]=3 11858 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|1,0,0]=3 11859 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|1,0,0]=3 11860 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,1,0,0|2,0,0]=4 11861 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,1,0,0|2,0,0]=4 11862 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|1,0,0]=3 11863 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|1,0,0]=3 11864 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,1,0,0|2,0,0]=4 11865 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,1,0,0|2,0,0]=4 11866 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,1,0,0|2,0,0]=4 11867 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,1,0,1,0,0|2,0,0]=4 11868 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|2,0,0]=4 11869 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 11870 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,1,0,1,0,0|2,0,0]=4 11871 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,1,0,1,0,0|2,0,0]=4 11872 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 11873 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|2,0,0]=4 11874 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|1,0,0]=3 11875 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|1,0,0]=3 11876 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 11877 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 11878 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 11879 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 11880 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 11881 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 11882 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,1,0,0|2,0,0]=4 11883 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,1,0,0|2,0,0]=4 11884 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 11885 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 11886 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,1,0,0|2,0,0]=4 11887 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,1,0,0|2,0,0]=4 11888 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 11889 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 11890 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 11891 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 11892 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,1,0,1,0,0|2,0,0]=4 11893 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 11894 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 11895 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,1,0,1,0,0|2,0,0]=4 11896 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 11897 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 11898 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 11899 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 11900 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 11901 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 11902 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 11903 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100102657272 [0,1,0,1,0,0|2,0,0]=4 11904 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 11905 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 512a_106832991638_100015190264 [0,1,0,1,0,0|2,0,0]=4 11906 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 2708a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 11907 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 273464a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 11908 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100102657272 [0,1,0,1,0,0|2,0,0]=4 11909 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_106832991638_100025746932 [0,1,0,1,0,0|2,0,0]=4 11910 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 11911 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 11912 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 11913 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 11914 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,1,0,1,0,0|0,0,1]=3 11915 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,1,0,1,0,0|1,0,1]=4 11916 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,1,0,1,0,0|1,0,1]=4 11917 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,1,0,1,0,0|0,0,1]=3 11918 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,1,0,1,0,0|1,0,1]=4 11919 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,1,0,1,0,0|1,0,1]=4 11920 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,1,0,1,0,0|1,0,1]=4 11921 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,1,0,1,0,0|1,0,1]=4 11922 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|0,0,2]=4 11923 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|0,0,0]=2 11924 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|0,0,0]=2 11925 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|1,0,0]=3 11926 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|1,0,0]=3 11927 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|1,0,0]=3 11928 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,1,0,1,0,0|1,0,0]=3 11929 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 11930 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 11931 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 11932 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,1,0,1,0,0|1,0,0]=3 11933 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 11934 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 11935 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 11936 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,1,0,1,0,0|2,0,0]=4 11937 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 11938 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 11939 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 11940 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,1,0,1,0,0|2,0,0]=4 11941 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,1,0,1,0,0|2,0,0]=4 11942 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,1,0,1,0,0|2,0,0]=4 11943 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,1,0,1,0,0|2,0,0]=4 11944 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,1,0,1,0,0|2,0,0]=4 11945 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,1,0,1,0,0|2,0,0]=4 11946 B9R1.79 CN(CF)CC1CCC1 269982a_200000750244_100015361967 [0,1,0,1,0,0|2,0,0]=4 11947 B9R1.79 CN(CF)CC1CCC1 34a_200000750244_100015361967 [0,1,0,1,0,0|2,0,0]=4 11948 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,1,0,1,0,0|0,0,2]=4 11949 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,1,0,1,0,0|0,0,2]=4 11950 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|0,0,0]=2 11951 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|0,0,0]=2 11952 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|0,0,0]=2 11953 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|0,0,0]=2 11954 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,1,0,1,0,0|1,0,0]=3 11955 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,1,0,1,0,0|1,0,0]=3 11956 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,1,0,1,0,0|1,0,0]=3 11957 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,1,0,1,0,0|1,0,0]=3 11958 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,1,0,1,0,0|1,0,0]=3 11959 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,1,0,1,0,0|1,0,0]=3 11960 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,1,0,1,0,0|1,0,0]=3 11961 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,1,0,1,0,0|1,0,0]=3 11962 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,1,0,1,0,0|2,0,0]=4 11963 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 11964 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 11965 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,1,0,1,0,0|2,0,0]=4 11966 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,1,0,1,0,0|2,0,0]=4 11967 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,1,0,1,0,0|2,0,0]=4 11968 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,1,0,1,0,0|2,0,0]=4 11969 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,1,0,1,0,0|2,0,0]=4 11970 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,1,0,1,0,0|2,0,0]=4 11971 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,1,0,1,0,0|2,0,0]=4 11972 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,1,0,1,0,0|2,0,0]=4 11973 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,1,0,1,0,0|2,0,0]=4 11974 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|1,0,0]=3 11975 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,1,0,1,0,0|0,0,2]=4 11976 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,1,0,1,0,0|0,0,0]=2 11977 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,1,0,1,0,0|1,0,0]=3 11978 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|0,0,0]=2 11979 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|1,0,0]=3 11980 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|1,0,0]=3 11981 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|1,0,0]=3 11982 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|1,0,0]=3 11983 B9R1.79 O=C(CO)NC1COC1 240690a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 11984 B9R1.79 O=C(CO)NC1COC1 527a_100016991112_100000210174 [0,1,0,1,0,0|2,0,0]=4 11985 B9R1.79 O=C(CO)NC1CSC1 240690a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 11986 B9R1.79 O=C(CO)NC1CSC1 527a_100016994217_100000210174 [0,1,0,1,0,0|2,0,0]=4 11987 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,1,0,1,0,0|0,0,1]=3 11988 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,1,0,1,0,0|1,0,1]=4 11989 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|0,0,1]=3 11990 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,1,0,1,0,0|1,0,1]=4 11991 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,1,0,1,0,0|1,0,1]=4 11992 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,1,0,1,0,0|1,0,1]=4 11993 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|0,0,2]=4 11994 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|0,0,0]=2 11995 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|0,0,0]=2 11996 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|1,0,0]=3 11997 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|1,0,0]=3 11998 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|1,0,0]=3 11999 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 12000 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 12001 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 12002 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 12003 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,1,0,1,0,0|2,0,0]=4 12004 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [0,1,0,1,0,0|2,0,0]=4 12005 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [0,1,0,1,0,0|2,0,0]=4 12006 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|0,0,2]=4 12007 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|0,0,2]=4 12008 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|0,0,2]=4 12009 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|0,0,0]=2 12010 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|0,0,0]=2 12011 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|0,0,0]=2 12012 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|0,0,0]=2 12013 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,1,0,1,0,0|1,0,0]=3 12014 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,1,0,1,0,0|1,0,0]=3 12015 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,1,0,1,0,0|1,0,0]=3 12016 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,1,0,1,0,0|1,0,0]=3 12017 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 12018 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 12019 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 12020 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 12021 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,1,0,1,0,0|1,0,0]=3 12022 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,1,0,1,0,0|2,0,0]=4 12023 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,1,0,1,0,0|2,0,0]=4 12024 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,1,0,1,0,0|2,0,0]=4 12025 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,0]=3 12026 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,0]=3 12027 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,1,0,1,0,0|0,0,2]=4 12028 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,1,0,1,0,0|0,0,0]=2 12029 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|0,0,0]=2 12030 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|1,0,0]=3 12031 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 12032 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 12033 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,1,0,1,0,0|2,0,0]=4 12034 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,1,0,1,0,0|1,0,1]=4 12035 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|1,0,0]=3 12036 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|1,0,0]=3 12037 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,1,0,0|1,0,1]=4 12038 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|1,0,0]=3 12039 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|1,0,0]=3 12040 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|1,0,0]=3 12041 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,1,0,0|1,0,0]=3 12042 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,1,0,0|1,0,0]=3 12043 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 12044 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|1,0,0]=3 12045 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 12046 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|1,0,0]=3 12047 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,1,0,0|1,0,1]=4 12048 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|0,0,0]=2 12049 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [0,1,0,1,0,0|1,0,1]=4 12050 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|0,0,0]=2 12051 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|0,0,0]=2 12052 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|0,0,0]=2 12053 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|0,0,0]=2 12054 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|0,0,0]=2 12055 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|1,0,0]=3 12056 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 11a_106832991635_100015294237 [0,1,0,1,0,0|1,0,1]=4 12057 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 1626a_100102657272_100015294237 [0,1,0,1,0,0|1,0,1]=4 12058 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 240690a_100102657272_100015294237 [0,1,0,1,0,0|1,0,1]=4 12059 B9R1.88 N#C[C@@H]1C[C@H]1C(=O)CF 1458a_100015294237_100015361967 [0,1,0,1,0,0|1,0,1]=4 12060 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,1,0,0|2,0,0]=4 12061 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,1,0,0|2,0,0]=4 12062 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,1,0,0|2,0,0]=4 12063 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,1,0,0|1,0,1]=4 12064 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,1,0,0|1,0,1]=4 12065 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,1,0,0|1,0,1]=4 12066 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,1,0,0|1,0,1]=4 12067 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|0,0,2]=4 12068 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|0,0,2]=4 12069 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|0,0,2]=4 12070 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,1,0,0|0,1,1]=4 12071 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,1,0,0|0,1,1]=4 12072 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,1,0,0|2,0,0]=4 12073 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,1,0,0|2,0,0]=4 12074 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,1,0,0|1,0,1]=4 12075 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,1,0,0|1,0,1]=4 12076 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|0,0,2]=4 12077 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|0,0,2]=4 12078 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,1,0,0|0,1,1]=4 12079 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,1,0,0|0,1,1]=4 12080 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,1,0,1,0,0|1,0,1]=4 12081 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,1,0,1,0,0|1,0,1]=4 12082 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,1,0,1,0,0|0,0,2]=4 12083 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,1,0,1,0,0|0,0,2]=4 12084 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,1,0,1,0,0|1,0,1]=4 12085 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,1,0,1,0,0|1,0,1]=4 12086 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,1,0,1,0,0|0,0,2]=4 12087 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,1,0,1,0,0|0,0,2]=4 12088 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,1,0,1,0,0|2,0,0]=4 12089 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,1,0,1,0,0|2,0,0]=4 12090 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,1,0,1,0,0|2,0,0]=4 12091 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,1,0,1,0,0|2,0,0]=4 12092 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,1,0,1,0,0|2,0,0]=4 12093 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,1,0,1,0,0|2,0,0]=4 12094 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,1,0,1,0,0|2,0,0]=4 12095 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,1,0,1,0,0|2,0,0]=4 12096 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|0,0,1]=3 12097 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,1,0,0|0,0,2]=4 12098 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,1,0,1,0,0|0,0,2]=4 12099 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|0,0,1]=3 12100 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,1,0,1,0,0|0,0,0]=2 12101 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,1,0,1,0,0|0,0,0]=2 12102 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|0,0,0]=2 12103 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,1,0,0|0,0,0]=2 12104 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,1,0,0|0,0,0]=2 12105 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,1,0,1,0,0|0,0,0]=2 12106 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,1,0,1,0,0|0,0,0]=2 12107 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,1,0,1,0,0|0,0,0]=2 12108 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,1,0,0|1,0,0]=3 12109 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,1,0,1,0,0|1,0,0]=3 12110 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,1,0,1,0,0|0,0,2]=4 12111 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,1,0,1,0,0|0,0,2]=4 12112 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,1,0,1,0,0|0,0,2]=4 12113 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,1,0,1,0,0|0,0,2]=4 12114 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,1,0,1,0,0|1,0,0]=3 12115 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,1,0,1,0,0|1,0,0]=3 12116 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,1,0,1,0,0|1,0,0]=3 12117 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,1,0,1,0,0|1,0,0]=3 12118 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,1,0,1,0,0|1,0,0]=3 12119 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,1,0,1,0,0|1,0,0]=3 12120 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,1,0,1,0,0|1,0,0]=3 12121 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,1,0,1,0,0|1,0,0]=3 12122 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,1,0,1,0,0|1,0,0]=3 12123 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,1,0,1,0,0|0,0,1]=3 12124 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,1,0,1,0,0|2,0,0]=4 12125 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,1,0,1,0,0|2,0,0]=4 12126 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,1,0,1,0,0|2,0,0]=4 12127 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,1,0,1,0,0|2,0,0]=4 12128 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,1,0,1,0,0|2,0,0]=4 12129 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,1,0,1,0,0|2,0,0]=4 12130 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,1,0,1,0,0|2,0,0]=4 12131 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,1,0,1,0,0|2,0,0]=4 12132 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [0,1,0,1,0,0|2,0,0]=4 12133 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,1,0,1,0,0|2,0,0]=4 12134 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,1,0,1,0,0|2,0,0]=4 12135 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,1,0,1,0,0|2,0,0]=4 12136 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,1,0,1,0,0|2,0,0]=4 12137 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,1,0,1,0,0|2,0,0]=4 12138 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [0,1,0,1,0,0|2,0,0]=4 12139 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [0,1,0,1,0,0|2,0,0]=4 12140 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [0,1,0,1,0,0|2,0,0]=4 12141 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [0,1,0,1,0,0|2,0,0]=4 12142 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [0,1,0,1,0,0|2,0,0]=4 12143 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,1,0,1,0,0|2,0,0]=4 12144 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,1,0,1,0,0|2,0,0]=4 12145 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,1,0,1,0,0|2,0,0]=4 12146 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,1,0,1,0,0|2,0,0]=4 12147 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,1,0,1,0,0|2,0,0]=4 12148 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,1,0,1,0,0|2,0,0]=4 12149 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [0,1,0,1,0,0|2,0,0]=4 12150 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [0,1,0,1,0,0|2,0,0]=4 12151 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [0,1,0,1,0,0|2,0,0]=4 12152 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|0,0,1]=3 12153 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,1,0,0|0,0,2]=4 12154 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,1,0,1,0,0|0,0,2]=4 12155 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,1,0,1,0,0|0,0,0]=2 12156 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|0,0,0]=2 12157 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,1,0,0|0,0,0]=2 12158 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,1,0,1,0,0|0,0,0]=2 12159 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,1,0,1,0,0|0,0,0]=2 12160 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,1,0,0|1,0,0]=3 12161 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,1,0,1,0,0|1,0,0]=3 12162 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,1,0,1,0,0|0,0,1]=3 12163 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [0,1,0,1,0,0|1,0,0]=3 12164 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [0,1,0,1,0,0|1,0,0]=3 12165 B9R1.9 C=C1CC(C1)CNCF 34a_100102567296_100015361967 [0,1,0,1,0,0|2,0,0]=4 12166 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [0,1,0,1,0,0|1,0,0]=3 12167 B9R1.9 C=C1CC(C1)COCF 34a_100011011225_100015361967 [0,1,0,1,0,0|2,0,0]=4 12168 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,1,0,1,0,0|1,0,0]=3 12169 B9R1.9 C=C1CC(C1)NCCF 2230a_100132301982_100011217306 [0,1,0,1,0,0|2,0,0]=4 12170 B9R1.9 C=C1CC(C1)NCCO 2230a_100132301982_100000211926 [0,1,0,1,0,0|2,0,0]=4 12171 B9R1.9 C=C1CC(C1)NCOC 2230a_100132301982_100000766300 [0,1,0,1,0,0|2,0,0]=4 12172 B9R1.9 C=C1CC(C1)NCSC 2230a_100132301982_100011218213 [0,1,0,1,0,0|2,0,0]=4 12173 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [0,1,0,1,0,0|0,0,2]=4 12174 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,1,0,1,0,0|1,0,1]=4 12175 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,1,0,1,0,0|1,0,1]=4 12176 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,1,0,1,0,0|1,0,1]=4 12177 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [0,1,0,1,0,0|1,0,1]=4 12178 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [0,1,0,1,0,0|1,0,1]=4 12179 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [0,1,0,1,0,0|1,0,1]=4 12180 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,1,0,1,0,0|0,0,2]=4 12181 B9R1.9 CCCNC1CC(C1)F 2230a_100016993743_100000210303 [0,1,0,1,0,0|1,0,1]=4 12182 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,1,0,1,0,0|0,0,2]=4 12183 B9R1.9 CCCOC1CN(C1)C 269982a_200020626125_200000210301 [0,1,0,1,0,0|2,0,0]=4 12184 B9R1.9 CCCOC1CN(C1)C 34a_200020626125_200000210301 [0,1,0,1,0,0|2,0,0]=4 12185 B9R1.9 CCCOC1CN(C1)[13CH3] 269982a_200020626125_200025704644 [0,1,0,1,0,0|2,0,0]=4 12186 B9R1.9 CCCOC1CN(C1)[13CH3] 34a_200020626125_200025704644 [0,1,0,1,0,0|2,0,0]=4 12187 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,1,0,1,0,0|0,0,0]=2 12188 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,1,0,1,0,0|0,0,0]=2 12189 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [0,1,0,1,0,0|0,0,2]=4 12190 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,1,0,1,0,0|0,0,0]=2 12191 B9R1.9 CCOCC1CC(C1)Cl 34a_100009874164_100000210202 [0,1,0,1,0,0|1,0,1]=4 12192 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,1,0,1,0,0|0,0,0]=2 12193 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,1,0,1,0,0|0,0,0]=2 12194 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,1,0,1,0,0|1,0,0]=3 12195 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [0,1,0,1,0,0|1,0,0]=3 12196 B9R1.9 N#CCSC1CC(=O)C1 62a_100009894365_100011215382 [0,1,0,1,0,0|1,0,1]=4 12197 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,1,0,1,0,0|1,0,0]=3 12198 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,1,0,1,0,0|1,0,0]=3 12199 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,1,0,1,0,0|1,0,0]=3 12200 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,1,0,1,0,0|1,0,0]=3 12201 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,1,0,1,0,0|1,0,0]=3 12202 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [0,1,0,1,0,0|1,0,1]=4 12203 B9R1.24 CC1(CCCC1O[13CH3])C 34a_100000726220_200025704644 [0,1,0,1,0,0|1,0,1]=4 12204 B9R1.24 CC1(CCCC1O[13CH3])C 7a_100000726220_200025704644 [0,1,0,1,0,0|1,0,1]=4 12205 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [0,1,0,1,0,0|1,0,1]=4 12206 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [0,1,0,1,0,0|1,0,1]=4 12207 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [0,1,0,1,0,0|1,0,1]=4 12208 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [0,1,0,1,0,0|1,0,1]=4 12209 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,1,0,1,0,0|0,0,2]=4 12210 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,1,0,1,0,0|0,0,2]=4 12211 B9R1.24 COC1CCCC1(C)C 34a_100000726220_200000210301 [0,1,0,1,0,0|1,0,1]=4 12212 B9R1.24 COC1CCCC1(C)C 7a_100000726220_200000210301 [0,1,0,1,0,0|1,0,1]=4 12213 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,1,0,1,0,0|0,0,2]=4 12214 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,1,0,1,0,0|0,0,2]=4 12215 B9R1.46 C=C(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000748629 [0,1,0,1,0,0|2,0,0]=4 12216 B9R1.46 C=C(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000748629 [0,1,0,1,0,0|2,0,0]=4 12217 B9R1.46 C=C(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000748629 [0,1,0,1,0,0|2,0,0]=4 12218 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,1,0,1,0,0|1,0,1]=4 12219 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,1,0,1,0,0|1,0,1]=4 12220 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,1,0,1,0,0|2,0,0]=4 12221 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,1,0,1,0,0|2,0,0]=4 12222 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,1,0,1,0,0|2,0,0]=4 12223 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,1,0,1,0,0|2,0,0]=4 12224 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,1,0,1,0,0|1,0,0]=3 12225 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,1,0,1,0,0|1,0,0]=3 12226 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,1,0,1,0,0|1,0,1]=4 12227 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,1,0,1,0,0|1,0,1]=4 12228 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,1,0,1,0,0|1,0,1]=4 12229 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,1,0,1,0,0|1,0,1]=4 12230 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,1,0,1,0,0|0,0,2]=4 12231 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,1,0,1,0,0|0,0,2]=4 12232 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,1,0,1,0,0|1,0,0]=3 12233 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,1,0,1,0,0|1,0,0]=3 12234 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,1,0,1,0,0|1,0,0]=3 12235 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,1,0,1,0,0|1,0,0]=3 12236 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,1,0,1,0,0|0,0,2]=4 12237 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,1,0,1,0,0|0,0,2]=4 12238 B9R1.67 CC1CCN1C[N+](=O)[O-] 269982a_100000755817_100000761209 [0,1,0,1,0,0|2,0,0]=4 12239 B9R1.67 CC1CCN1C[N+](=O)[O-] 34a_100000755817_100000761209 [0,1,0,1,0,0|2,0,0]=4 12240 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,1,0,1,0,0|1,0,1]=4 12241 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,1,0,1,0,0|1,0,1]=4 12242 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,1,0,1,0,0|1,0,1]=4 12243 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,1,0,1,0,0|1,0,1]=4 12244 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,1,0,1,0,0|1,0,1]=4 12245 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,1,0,1,0,0|1,0,1]=4 12246 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,1,0,1,0,0|1,0,1]=4 12247 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,1,0,1,0,0|1,0,1]=4 12248 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,1,0,1,0,0|1,0,1]=4 12249 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,1,0,1,0,0|1,0,1]=4 12250 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,1,0,1,0,0|0,0,2]=4 12251 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,1,0,1,0,0|0,0,2]=4 12252 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,1,0,1,0,0|0,1,1]=4 12253 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,1,0,1,0,0|0,0,2]=4 12254 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,1,0,1,0,0|1,0,1]=4 12255 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,1,0,1,0,0|1,0,1]=4 12256 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,1,0,1,0,0|1,0,1]=4 12257 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,1,0,1,0,0|0,0,2]=4 12258 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,1,0,1,0,0|0,0,2]=4 12259 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,1,0,1,0,0|0,1,1]=4 12260 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,1,0,1,0,0|0,0,2]=4 12261 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,1,0,1,0,0|0,0,2]=4 12262 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,1,0,1,0,0|1,0,1]=4 12263 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,1,0,1,0,0|1,0,1]=4 12264 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,1,0,1,0,0|0,0,2]=4 12265 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,1,0,1,0,0|0,0,2]=4 12266 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,1,0,1,0,0|0,1,1]=4 12267 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,1,0,1,0,0|0,1,1]=4 12268 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,1,0,1,0,0|0,0,2]=4 12269 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,1,0,1,0,0|0,0,2]=4 12270 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,1,0,1,0,0|1,0,1]=4 12271 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,1,0,1,0,0|1,0,1]=4 12272 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,1,0,1,0,0|1,0,1]=4 12273 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,1,0,1,0,0|1,0,1]=4 12274 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,1,0,1,0,0|0,0,2]=4 12275 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,1,0,1,0,0|0,0,2]=4 12276 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,1,0,1,0,0|1,0,1]=4 12277 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,1,0,1,0,0|1,0,1]=4 12278 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,1,0,1,0,0|0,0,2]=4 12279 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,1,0,1,0,0|0,0,2]=4 12280 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,1,0,1,0,0|0,0,2]=4 12281 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,1,0,1,0,0|0,0,2]=4 12282 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,1,0,1,0,0|0,0,2]=4 12283 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,1,0,1,0,0|0,0,2]=4 12284 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,1,0,1,0,0|1,0,0]=3 12285 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,1,0,1,0,0|1,0,0]=3 12286 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,1,0,1,0,0|1,0,0]=3 12287 B9R1.84 C=C(C)CNC1COC1 2230a_100016991112_100000748629 [0,1,0,1,0,0|2,0,0]=4 12288 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,1,0,1,0,0|1,0,0]=3 12289 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,1,0,1,0,0|1,0,0]=3 12290 B9R1.84 C=C(C)COC1COC1 34a_100000210245_100009818527 [0,1,0,1,0,0|2,0,0]=4 12291 B9R1.84 C=C(C)COC1CSC1 7a_100000072292_100000748629 [0,1,0,1,0,0|2,0,0]=4 12292 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,1,0,1,0,0|1,0,0]=3 12293 B9R1.84 C=C(C)CSC1COC1 62a_100000748629_100009818527 [0,1,0,1,0,0|2,0,0]=4 12294 B9R1.84 C=C(F)CNC1CCC1 2230a_100000749019_100009893438 [0,1,0,1,0,0|1,0,1]=4 12295 B9R1.84 C=C(F)CNC1CCC1 34a_100000749019_100009893438 [0,1,0,1,0,0|1,0,1]=4 12296 B9R1.84 C=C(F)COC1CCC1 34a_100000748187_100009893438 [0,1,0,1,0,0|1,0,1]=4 12297 B9R1.84 C=C(F)COC1CCC1 34a_200010262243_100000749161 [0,1,0,1,0,0|1,0,1]=4 12298 B9R1.84 C=C(F)CSC1CCC1 62a_100000042424_100000749161 [0,1,0,1,0,0|1,0,1]=4 12299 B9R1.84 CC(=CCN1CCC1)C 269982a_100000754969_100000761012 [0,1,0,1,0,0|1,0,1]=4 12300 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,1,0,1,0,0|0,0,0]=2 12301 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,1,0,1,0,0|0,0,0]=2 12302 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,1,0,1,0,0|1,0,0]=3 12303 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,1,0,1,0,0|0,0,0]=2 12304 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,1,0,1,0,0|0,0,0]=2 12305 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,1,0,1,0,0|0,0,0]=2 12306 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,1,0,1,0,0|0,0,0]=2 12307 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,1,0,1,0,0|1,0,0]=3 12308 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,1,0,1,0,0|1,0,0]=3 12309 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,1,0,1,0,0|1,0,0]=3 12310 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,1,0,1,0,0|1,0,0]=3 12311 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 12312 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 12313 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 12314 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,1,0,1,0,0|1,0,0]=3 12315 B9R1.84 CC(=O)NN=C1CCC1 4a_100000189765_100000241760 [0,1,0,1,0,0|1,0,1]=4 12316 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,1,0,1,0,0|1,0,0]=3 12317 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,1,0,1,0,0|2,0,0]=4 12318 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,1,0,1,0,0|1,0,0]=3 12319 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [0,1,0,1,0,0|1,0,1]=4 12320 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [0,1,0,1,0,0|1,0,1]=4 12321 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [0,1,0,1,0,0|1,0,1]=4 12322 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [0,1,0,1,0,0|1,0,1]=4 12323 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [0,1,0,1,0,0|1,0,1]=4 12324 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [0,1,0,1,0,0|1,0,1]=4 12325 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,1,0,1,0,0|1,0,1]=4 12326 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,1,0,1,0,0|1,0,1]=4 12327 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [0,1,0,1,0,0|1,0,1]=4 12328 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [0,1,0,1,0,0|1,0,1]=4 12329 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [0,1,0,1,0,0|1,0,1]=4 12330 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [0,1,0,1,0,0|1,0,1]=4 12331 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [0,1,0,1,0,0|1,0,1]=4 12332 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,1,0,1,0,0|1,0,1]=4 12333 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,1,0,1,0,0|1,0,1]=4 12334 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [0,1,0,1,0,0|1,0,1]=4 12335 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [0,1,0,1,0,0|1,0,1]=4 12336 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [0,1,0,1,0,0|1,0,1]=4 12337 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,1,0,1,0,0|0,0,2]=4 12338 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,1,0,1,0,0|0,0,2]=4 12339 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,1,0,1,0,0|0,0,2]=4 12340 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,1,0,1,0,0|0,0,2]=4 12341 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,1,0,1,0,0|0,0,2]=4 12342 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,1,0,1,0,0|0,0,2]=4 12343 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,1,0,1,0,0|0,0,2]=4 12344 B9R1.84 CN(C)CCN1CCC1 269982a_100000754969_100000755713 [0,1,0,1,0,0|2,0,0]=4 12345 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [0,1,0,1,0,0|1,0,1]=4 12346 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [0,1,0,1,0,0|1,0,1]=4 12347 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,1,0,1,0,0|0,0,2]=4 12348 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,1,0,1,0,0|0,0,2]=4 12349 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,1,0,1,0,0|0,0,2]=4 12350 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,1,0,1,0,0|0,0,2]=4 12351 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,1,0,1,0,0|1,0,0]=3 12352 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,1,0,1,0,0|1,0,0]=3 12353 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,1,0,1,0,0|1,0,0]=3 12354 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,1,0,1,0,0|2,0,0]=4 12355 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,1,0,1,0,0|1,0,0]=3 12356 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,1,0,1,0,0|2,0,0]=4 12357 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,1,0,1,0,0|1,0,0]=3 12358 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,1,0,1,0,0|2,0,0]=4 12359 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,1,0,1,0,0|1,0,0]=3 12360 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,1,0,1,0,0|2,0,0]=4 12361 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,1,0,1,0,0|1,0,0]=3 12362 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,1,0,1,0,0|1,0,0]=3 12363 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,1,0,1,0,0|1,0,0]=3 12364 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,1,0,1,0,0|2,0,0]=4 12365 B9R1.84 O=[N+]([O-])CNC1CCC1 34a_100000749019_100000761209 [0,1,0,1,0,0|2,0,0]=4 12366 B9R1.84 O=[N+]([O-])COC1CCC1 34a_100000748187_100000761209 [0,1,0,1,0,0|2,0,0]=4 12367 B9R1.85 C=C(Br)CCOC1CC1 34a_100009813270_100000211595 [0,1,0,1,0,0|1,0,1]=4 12368 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,1,0,1,0,0|1,0,0]=3 12369 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,1,0,1,0,0|1,0,0]=3 12370 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,1,0,1,0,0|1,0,0]=3 12371 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,1,0,1,0,0|1,0,0]=3 12372 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,1,0,1,0,0|1,0,0]=3 12373 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,1,0,1,0,0|1,0,0]=3 12374 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,1,0,1,0,0|1,0,0]=3 12375 B9R1.85 C=C(C)COCC1CO1 34a_100000210245_102125554688 [0,1,0,1,0,0|2,0,0]=4 12376 B9R1.85 C=C(C)COC[C@@H]1CO1 34a_100000757423_100000748629 [0,1,0,1,0,0|2,0,0]=4 12377 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,1,0,1,0,0|1,0,0]=3 12378 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,1,0,1,0,0|1,0,0]=3 12379 B9R1.85 C=C(C)CSCC1CO1 62a_100000748629_102125554688 [0,1,0,1,0,0|2,0,0]=4 12380 B9R1.85 C=C(C)CSCC1CO1 62a_102125554688_100000211660 [0,1,0,1,0,0|2,0,0]=4 12381 B9R1.85 C=C(C)CSCC1CS1 62a_100000031435_100000211660 [0,1,0,1,0,0|2,0,0]=4 12382 B9R1.85 C=C(C)CSCC1CS1 62a_100000748629_100000031435 [0,1,0,1,0,0|2,0,0]=4 12383 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000745022_100000211660 [0,1,0,1,0,0|2,0,0]=4 12384 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000748629_100000745022 [0,1,0,1,0,0|2,0,0]=4 12385 B9R1.85 C=C(F)CNCC1CC1 2230a_100000735609_100009893438 [0,1,0,1,0,0|1,0,1]=4 12386 B9R1.85 C=C(F)CNCC1CC1 34a_100000735609_100009893438 [0,1,0,1,0,0|1,0,1]=4 12387 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,1,0,1,0,0|1,0,1]=4 12388 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,1,0,1,0,0|1,0,1]=4 12389 B9R1.85 C=C(F)CSCC1CC1 62a_100000042424_100000742324 [0,1,0,1,0,0|1,0,1]=4 12390 B9R1.85 C=C(F)CSCC1CC1 62a_100000756562_100000042424 [0,1,0,1,0,0|1,0,1]=4 12391 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,1,0,1,0,0|1,0,1]=4 12392 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,1,0,1,0,0|1,0,1]=4 12393 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,1,0,1,0,0|1,0,1]=4 12394 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,1,0,1,0,0|1,0,1]=4 12395 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,1,0,1,0,0|0,0,1]=3 12396 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,1,0,1,0,0|0,0,0]=2 12397 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,1,0,1,0,0|0,0,0]=2 12398 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,1,0,1,0,0|0,0,0]=2 12399 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,1,0,1,0,0|0,0,0]=2 12400 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,1,0,1,0,0|1,0,0]=3 12401 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,1,0,1,0,0|0,0,0]=2 12402 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,1,0,1,0,0|0,0,0]=2 12403 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,1,0,1,0,0|0,0,0]=2 12404 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,1,0,1,0,0|0,0,0]=2 12405 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,1,0,1,0,0|1,0,1]=4 12406 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,1,0,1,0,0|1,0,0]=3 12407 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,1,0,1,0,0|1,0,0]=3 12408 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,1,0,1,0,0|1,0,0]=3 12409 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [0,1,0,1,0,0|1,0,1]=4 12410 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [0,1,0,1,0,0|1,0,1]=4 12411 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,1,0,1,0,0|1,0,1]=4 12412 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,1,0,1,0,0|1,0,1]=4 12413 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,1,0,1,0,0|1,0,1]=4 12414 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [0,1,0,1,0,0|1,0,1]=4 12415 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [0,1,0,1,0,0|1,0,1]=4 12416 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [0,1,0,1,0,0|1,0,1]=4 12417 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [0,1,0,1,0,0|1,0,1]=4 12418 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [0,1,0,1,0,0|1,0,1]=4 12419 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [0,1,0,1,0,0|1,0,1]=4 12420 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [0,1,0,1,0,0|1,0,1]=4 12421 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [0,1,0,1,0,0|1,0,1]=4 12422 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [0,1,0,1,0,0|1,0,1]=4 12423 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [0,1,0,1,0,0|1,0,1]=4 12424 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [0,1,0,1,0,0|1,0,1]=4 12425 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [0,1,0,1,0,0|1,0,1]=4 12426 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [0,1,0,1,0,0|1,0,1]=4 12427 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,1,0,1,0,0|1,0,1]=4 12428 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,1,0,1,0,0|1,0,1]=4 12429 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,1,0,1,0,0|1,0,1]=4 12430 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [0,1,0,1,0,0|1,0,1]=4 12431 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [0,1,0,1,0,0|1,0,1]=4 12432 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [0,1,0,1,0,0|1,0,1]=4 12433 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,1,0,1,0,0|0,0,2]=4 12434 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,1,0,1,0,0|0,0,2]=4 12435 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,1,0,1,0,0|0,0,2]=4 12436 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,1,0,1,0,0|0,0,2]=4 12437 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,1,0,1,0,0|0,0,2]=4 12438 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,1,0,1,0,0|0,0,2]=4 12439 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,1,0,1,0,0|0,0,2]=4 12440 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,1,0,1,0,0|0,0,2]=4 12441 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,1,0,1,0,0|0,0,2]=4 12442 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,1,0,1,0,0|0,0,2]=4 12443 B9R1.85 CN(C)CCCC1CO1 2230a_100102631434_100000733510 [0,1,0,1,0,0|2,0,0]=4 12444 B9R1.85 CN(C)CCCC1CO1 269982a_100102631434_100000733510 [0,1,0,1,0,0|2,0,0]=4 12445 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [0,1,0,1,0,0|1,0,1]=4 12446 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [0,1,0,1,0,0|1,0,1]=4 12447 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [0,1,0,1,0,0|1,0,1]=4 12448 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,1,0,1,0,0|0,0,2]=4 12449 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,1,0,1,0,0|0,0,2]=4 12450 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,1,0,1,0,0|0,0,2]=4 12451 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,1,0,1,0,0|0,0,2]=4 12452 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,1,0,1,0,0|0,0,2]=4 12453 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,1,0,1,0,0|1,0,0]=3 12454 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,1,0,1,0,0|1,0,0]=3 12455 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,1,0,1,0,0|1,0,0]=3 12456 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,1,0,1,0,0|1,0,0]=3 12457 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,1,0,1,0,0|1,0,0]=3 12458 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,1,0,1,0,0|1,0,0]=3 12459 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,1,0,1,0,0|2,0,0]=4 12460 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,1,0,1,0,0|1,0,0]=3 12461 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,1,0,1,0,0|2,0,0]=4 12462 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,1,0,1,0,0|1,0,0]=3 12463 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,1,0,1,0,0|1,0,0]=3 12464 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,1,0,1,0,0|2,0,0]=4 12465 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,1,0,1,0,0|2,0,0]=4 12466 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,1,0,1,0,0|2,0,0]=4 12467 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,1,0,1,0,0|2,0,0]=4 12468 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,1,0,1,0,0|2,0,0]=4 12469 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,1,0,1,0,0|2,0,0]=4 12470 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,1,0,1,0,0|1,0,0]=3 12471 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,1,0,1,0,0|2,0,0]=4 12472 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,1,0,1,0,0|2,0,0]=4 12473 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,1,0,1,0,0|2,0,0]=4 12474 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,1,0,1,0,0|2,0,0]=4 12475 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,1,0,1,0,0|1,0,0]=3 12476 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,1,0,1,0,0|1,0,0]=3 12477 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,1,0,1,0,0|2,0,0]=4 12478 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,1,0,1,0,0|1,0,0]=3 12479 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,1,0,1,0,0|1,0,0]=3 12480 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,1,0,1,0,0|2,0,0]=4 12481 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,1,0,1,0,0|2,0,0]=4 12482 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,1,0,1,0,0|2,0,0]=4 12483 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,1,0,1,0,0|2,0,0]=4 12484 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,1,0,1,0,0|2,0,0]=4 12485 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,1,0,1,0,0|2,0,0]=4 12486 B9R1.85 O=[N+]([O-])CNCC1CC1 34a_100000735609_100000761209 [0,1,0,1,0,0|2,0,0]=4 12487 B9R1.85 O=[N+]([O-])COCC1CC1 34a_100000211283_100000761209 [0,1,0,1,0,0|2,0,0]=4 12488 B9R1.85 O=[N+]([O-])CSCC1CC1 62a_100000756562_100000761209 [0,1,0,1,0,0|2,0,0]=4 12489 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,1,0,1,0,0|0,0,0]=2 12490 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|1,0,0]=3 12491 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|2,0,0]=4 12492 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 12493 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 12494 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 12495 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 12496 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,1,0,0|1,0,1]=4 12497 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|0,0,0]=2 12498 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,1,0,0|1,0,0]=3 12499 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,1,0,1,0,0|1,0,1]=4 12500 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|1,0,0]=3 12501 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|1,0,0]=3 12502 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,1,0,0|1,0,0]=3 12503 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,1,0,0|1,0,0]=3 12504 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,1,0,0|1,0,0]=3 12505 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,1,0,0|1,0,0]=3 12506 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|1,0,0]=3 12507 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|1,0,0]=3 12508 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|1,0,0]=3 12509 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,1,0,0|1,0,1]=4 12510 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,1,0,1,0,0|2,0,0]=4 12511 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,1,0,1,0,0|2,0,0]=4 12512 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [0,1,0,1,0,0|2,0,0]=4 12513 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 12514 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 12515 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 12516 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,1,0,0|1,0,0]=3 12517 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,1,0,0|1,0,1]=4 12518 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|0,0,0]=2 12519 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,1,0,1,0,0|1,0,1]=4 12520 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,1,0,0|1,0,1]=4 12521 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 12522 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 12523 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 12524 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,1,0,1,0,0|2,0,0]=4 12525 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,1,0,1,0,0|2,0,0]=4 12526 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,1,0,1,0,0|2,0,0]=4 12527 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,1,0,1,0,0|2,0,0]=4 12528 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 12529 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 12530 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 12531 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 12532 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,0]=3 12533 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 12534 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 12535 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,1,0,1,0,0|2,0,0]=4 12536 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,1,0,1,0,0|2,0,0]=4 12537 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,1,0,1,0,0|2,0,0]=4 12538 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,1,0,1,0,0|2,0,0]=4 12539 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,1,0,1,0,0|1,0,0]=3 12540 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,1,0,1,0,0|1,0,0]=3 12541 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,1,0,1,0,0|1,0,0]=3 12542 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,1,0,1,0,0|1,0,0]=3 12543 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,1,0,1,0,0|2,0,0]=4 12544 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,1,0,1,0,0|2,0,0]=4 12545 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|2,0,0]=4 12546 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|1,0,0]=3 12547 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|1,0,0]=3 12548 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 12549 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 12550 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 12551 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,1,0,1,0,0|2,0,0]=4 12552 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 12553 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 12554 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 12555 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,1,0,1,0,0|2,0,0]=4 12556 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,0]=3 12557 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|2,0,0]=4 12558 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|1,0,1]=4 12559 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,1,0,1,0,0|1,0,0]=3 12560 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,1,0,1,0,0|1,0,0]=3 12561 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,1,0,1,0,0|1,0,0]=3 12562 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,1,0,1,0,0|1,0,0]=3 12563 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,1,0,1,0,0|1,0,0]=3 12564 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 12565 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 12566 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 12567 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [0,1,0,1,0,0|2,0,0]=4 12568 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,1,0,1,0,0|2,0,0]=4 12569 B9R1.110 NC(=O)C(F)N1CCC1 269982a_100000754969_100009813875 [0,1,0,1,0,0|2,0,0]=4 12570 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|1,0,1]=4 12571 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|1,0,1]=4 12572 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|1,0,0]=3 12573 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,1,0,1,0,0|1,0,0]=3 12574 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,1,0,1,0,0|1,0,0]=3 12575 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,1,0,1,0,0|1,0,0]=3 12576 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,1,0,1,0,0|1,0,0]=3 12577 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,1,0,1,0,0|1,0,0]=3 12578 B9R1.112 CC(CC1CC1)N(C)C 270004a_100102631434_200000686933 [0,1,0,1,0,0|2,0,0]=4 12579 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,1,0,1,0,0|2,0,0]=4 12580 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,1,0,1,0,0|2,0,0]=4 12581 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,1,0,1,0,0|2,0,0]=4 12582 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,1,0,1,0,0|2,0,0]=4 12583 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|2,0,0]=4 12584 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,1,0,1,0,0|2,0,0]=4 12585 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,1,0,1,0,0|2,0,0]=4 12586 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,1,0,1,0,0|2,0,0]=4 12587 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,1,0,1,0,0|2,0,0]=4 12588 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|1,0,1]=4 12589 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|0,0,0]=2 12590 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|0,0,0]=2 12591 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|1,0,0]=3 12592 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|0,0,0]=2 12593 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|1,0,0]=3 12594 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|0,0,0]=2 12595 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,1,0,1,0,0|1,0,0]=3 12596 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,1,0,1,0,0|1,0,0]=3 12597 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,1,0,1,0,0|1,0,0]=3 12598 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,1,0,0|1,0,1]=4 12599 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,1,0,0|1,0,1]=4 12600 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,1,0,1,0,0|1,0,0]=3 12601 B9R1.133 CNC1CCS(=O)(=O)C1 2230a_100000683523_200000210301 [0,1,0,1,0,0|2,0,0]=4 12602 B9R1.133 CNC1CCS(=O)(=O)C1 34a_100000683523_200000210301 [0,1,0,1,0,0|2,0,0]=4 12603 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [0,1,0,1,0,0|2,0,0]=4 12604 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [0,1,0,1,0,0|2,0,0]=4 12605 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 2230a_100000683523_200025704644 [0,1,0,1,0,0|2,0,0]=4 12606 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 34a_100000683523_200025704644 [0,1,0,1,0,0|2,0,0]=4 12607 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [0,1,0,1,0,0|2,0,0]=4 12608 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [0,1,0,1,0,0|2,0,0]=4 12609 B9R1.147 C=C(C)CNC1(CC1)C 2230a_100000757604_100000748629 [0,1,0,1,0,0|2,0,0]=4 12610 B9R1.147 C=C(C)COC1(CC1)C 7a_100011725673_100000748629 [0,1,0,1,0,0|2,0,0]=4 12611 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,1,0,1,0,0|1,0,0]=3 12612 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,1,0,1,0,0|1,0,0]=3 12613 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,1,0,1,0,0|1,0,0]=3 12614 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,1,0,1,0,0|1,0,0]=3 12615 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,1,0,1,0,0|1,0,0]=3 12616 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,1,0,1,0,0|1,0,0]=3 12617 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,1,0,1,0,0|1,0,0]=3 12618 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,1,0,1,0,0|2,0,0]=4 12619 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,1,0,1,0,0|2,0,0]=4 12620 B9R1.19 CS(=O)(=O)N1CCCC1 40a_100000188435_100000738038 [0,1,0,1,0,0|2,0,0]=4 12621 B9R1.68 CC1CCN1S(=O)(=O)C 40a_100000755817_100000738038 [0,1,0,1,0,0|2,0,0]=4 12622 B9R1.114 CS(=O)(=O)NC1CCC1 40a_100000749019_100000738038 [0,1,0,1,0,0|2,0,0]=4 12623 B9R1.115 CS(=O)(=O)NCC1CC1 40a_100000735609_100000738038 [0,1,0,1,0,0|2,0,0]=4 12624 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,1,0,1,0,0|1,0,0]=3 12625 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,1,0,1,0,0|1,0,0]=3 12626 B9R1.170 CC(=O)NC1CC1(F)F 1626a_100020610826_100015343762 [0,1,0,1,0,0|2,0,0]=4 12627 B9R1.170 CC(=O)NC1CC1(F)F 240690a_100020610826_100015343762 [0,1,0,1,0,0|2,0,0]=4 12628 B9R1.170 CC(=O)NC1CC1(F)F 527a_100020610826_100103153847 [0,1,0,1,0,0|2,0,0]=4 12629 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,1,0,1,0,0|1,0,0]=3 12630 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,0,0,2,0,0|2,0,0]=4 12631 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,0,0,2,0,0|2,0,0]=4 12632 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,0,0,2,0,0|2,0,0]=4 12633 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,0,0,2,0,0|2,0,0]=4 12634 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,0,0,2,0,0|2,0,0]=4 12635 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,0,0,2,0,0|2,0,0]=4 12636 B9R2.139 CN1CCC2(C1)CC2 2230a_100000697357_200000210301 [0,0,0,2,0,0|2,0,0]=4 12637 B9R2.139 CN1CCC2(C1)CC2 269982a_100000697357_200000210301 [0,0,0,2,0,0|2,0,0]=4 12638 B9R2.139 CN1CCC2(C1)CC2 34a_100000697357_200000210301 [0,0,0,2,0,0|2,0,0]=4 12639 B9R2.139 [13CH3]N1CCC2(C1)CC2 2230a_100000697357_200025704644 [0,0,0,2,0,0|2,0,0]=4 12640 B9R2.139 [13CH3]N1CCC2(C1)CC2 269982a_100000697357_200025704644 [0,0,0,2,0,0|2,0,0]=4 12641 B9R2.139 [13CH3]N1CCC2(C1)CC2 34a_100000697357_200025704644 [0,0,0,2,0,0|2,0,0]=4 12642 B9R2.138 CN1CC2(C1)CCC2 2230a_100000690493_200000210301 [0,0,0,2,0,0|2,0,0]=4 12643 B9R2.138 CN1CC2(C1)CCC2 269982a_100000690493_200000210301 [0,0,0,2,0,0|2,0,0]=4 12644 B9R2.138 CN1CC2(C1)CCC2 34a_100000690493_200000210301 [0,0,0,2,0,0|2,0,0]=4 12645 B9R2.138 [13CH3]N1CC2(C1)CCC2 2230a_100000690493_200025704644 [0,0,0,2,0,0|2,0,0]=4 12646 B9R2.138 [13CH3]N1CC2(C1)CCC2 269982a_100000690493_200025704644 [0,0,0,2,0,0|2,0,0]=4 12647 B9R2.138 [13CH3]N1CC2(C1)CCC2 34a_100000690493_200025704644 [0,0,0,2,0,0|2,0,0]=4