0 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,0,0,0,0|1,0,2]=3 39 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,0,0,0,0|1,0,2]=3 40 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,0,0,0,0|1,0,3]=4 42 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,0,0,0,0|1,0,2]=3 45 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,0,0,0,0|1,0,0]=1 46 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,0,0,0,0|1,0,2]=3 50 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,0,0,0,0|1,0,1]=2 56 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,0,0,0,0|2,0,1]=3 70 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,0,0,0,0|2,0,2]=4 76 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,0,0,0,0|2,0,2]=4 77 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,0,0,0,0|2,0,2]=4 81 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,0,0,0,0|2,0,2]=4 88 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,0,0,0,0|2,0,2]=4 90 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,0,0,0,0|2,0,2]=4 92 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,0,0,0,0|2,0,2]=4 99 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,0,0,0,0|2,0,2]=4 101 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,0,0,0,0|2,0,2]=4 104 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,0,0,0,0|2,0,2]=4 118 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,0,0,0,0|2,0,2]=4 120 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,0,0,0,0|2,0,0]=2 132 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,0,0,0,0|2,0,2]=4 136 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,0,0,0,0|2,0,2]=4 137 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,0,0,0,0|2,0,2]=4 138 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,0,0,0,0|2,0,2]=4 139 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,0,0,0,0|2,0,2]=4 140 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,0,0,0,0|2,0,2]=4 141 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,0,0,0,0|2,0,2]=4 142 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,0,0,0,0|3,0,1]=4 150 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,0,0,0,0|2,0,1]=3 152 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,0,0,0,0|3,0,1]=4 153 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,0,0,0,0|3,0,1]=4 154 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,0,0,0,0|2,0,2]=4 156 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [0,0,0,0,0,0|2,0,1]=3 157 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [0,0,0,0,0,0|2,0,1]=3 158 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,0,0,0,0|2,0,2]=4 163 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,0,0,0,0|2,0,2]=4 164 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,0,0,0,0|2,0,2]=4 165 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,0,0,0,0|2,0,2]=4 166 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,0,0,0,0|2,0,2]=4 167 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,0,0,0,0|2,0,2]=4 168 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,0,0,0,0|3,0,1]=4 169 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,0,0,0,0|2,0,1]=3 182 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,0,0,0,0|3,0,1]=4 184 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,0,0,0,0|2,0,2]=4 186 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,0,0,0,0|2,0,2]=4 187 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,0,0,0,0|2,0,2]=4 188 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,0,0,0,0|2,0,2]=4 200 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,0,0,0,0|2,0,1]=3 201 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,0,0,0,0|2,0,1]=3 202 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,0,0,0,0|2,0,2]=4 204 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,0,0,0,0|2,0,2]=4 205 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,0,0,0,0|2,0,2]=4 206 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,0,0,0,0|2,0,2]=4 207 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,0,0,0,0|2,0,2]=4 208 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,0,0,0,0|2,0,2]=4 209 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,0,0,0,0|2,0,2]=4 210 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,0,0,0,0|2,0,2]=4 211 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,0,0,0,0|2,0,2]=4 212 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,0,0,0,0|2,0,2]=4 214 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [0,0,0,0,0,0|2,0,1]=3 218 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [0,0,0,0,0,0|2,0,1]=3 219 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,0,0,0,0|2,0,2]=4 222 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,0,0,0,0|2,0,2]=4 223 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,0,0,0,0|3,0,1]=4 227 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 228 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,2]=4 229 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,2]=4 230 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|3,0,0]=4 234 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 243 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 249 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 250 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 251 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 253 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,0]=2 254 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,0]=2 255 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 260 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 261 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,2]=4 271 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,2]=4 277 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|3,0,0]=4 278 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|3,0,0]=4 343 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,0,1]=3 346 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,0,2]=4 347 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,1]=3 348 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,2]=4 350 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,2]=4 351 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|1,0,2]=4 353 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|1,0,2]=4 356 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|1,0,2]=4 357 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|1,0,2]=4 369 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|1,0,2]=4 370 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|1,0,1]=3 372 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|1,0,1]=3 373 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,0|1,0,0]=2 382 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,0|1,0,0]=2 383 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,1,0,0,0,0|2,0,0]=3 387 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|1,0,1]=3 388 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|1,0,1]=3 389 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|1,0,1]=3 390 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|0,0,2]=3 391 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|1,0,2]=4 392 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|1,0,2]=4 393 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,1,0,0,0,0|1,0,2]=4 394 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,0|1,0,2]=4 395 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,0|1,0,2]=4 396 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,0|1,0,2]=4 397 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,0|1,0,1]=3 405 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,0|1,0,2]=4 429 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,0,0,0,0|1,0,2]=4 432 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,1,0,0,0,0|3,0,0]=4 440 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,0|1,0,2]=4 441 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,1,0,0,0,0|1,0,2]=4 445 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|1,0,2]=4 446 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,0,0,0,0|1,0,2]=4 447 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,1,0,0,0,0|1,0,2]=4 452 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|1,0,2]=4 453 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,0,0,0,0|1,0,2]=4 457 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,0,0,0,0|1,0,2]=4 458 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,0,0,0,0|1,0,2]=4 459 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,0,0,0,0|1,0,2]=4 461 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,0,0,0,0|1,0,2]=4 463 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,2]=3 464 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|0,0,3]=4 465 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,0,0,0,0|1,0,2]=4 468 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,0,0,0,0|1,0,0]=2 470 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,0,0,0,0|1,0,0]=2 471 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,0,0,0,0|1,0,0]=2 472 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,0,0,0,0|1,0,0]=2 473 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,0,0,0,0|1,0,0]=2 474 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|1,0,2]=4 476 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|0,0,2]=3 478 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|1,0,2]=4 479 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|1,0,2]=4 481 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|1,0,2]=4 482 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|1,0,1]=3 487 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|1,0,1]=3 488 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|1,0,1]=3 511 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|1,0,1]=3 522 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|1,0,1]=3 523 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,0,0,0,0|2,0,0]=3 525 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,1,0,0,0,0|2,0,0]=3 528 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,1,0,0,0,0|2,0,0]=3 529 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,1,0,0,0,0|2,0,0]=3 530 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|1,0,2]=4 535 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,1,0,0,0,0|2,0,0]=3 539 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,1,0,0,0,0|1,0,0]=2 540 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,1,0,0,0,0|1,0,0]=2 541 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,1,0,0,0,0|1,0,0]=2 542 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,0,0,0,0|1,0,2]=4 545 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,0,0,0,0|1,0,0]=2 546 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,0,0,0,0|1,0,0]=2 547 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,0,0,0,0|1,0,0]=2 548 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,0,0,0,0|1,0,0]=2 549 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|1,0,2]=4 550 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|1,0,2]=4 551 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|1,0,2]=4 552 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|1,0,2]=4 553 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,1,0,0,0,0|1,0,0]=2 567 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|1,0,2]=4 569 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|1,0,2]=4 570 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|1,0,2]=4 579 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|1,0,2]=4 580 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,0,0,0,0|1,0,2]=4 586 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,0,0,0,0|1,0,2]=4 587 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,0,0,0,0|1,0,2]=4 590 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,0,0,0,0|1,0,2]=4 591 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,0,0,0,0|1,0,2]=4 592 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,0,0,0,0|1,0,2]=4 593 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,0,0,0,0|1,0,2]=4 594 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,0,0,0,0|1,0,2]=4 595 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,0,0,0,0|2,0,1]=4 596 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,0,0,0,0|2,0,1]=4 597 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,0,0,0,0|2,0,1]=4 599 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,0,0,0,0|2,0,1]=4 602 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,0,0,0,0|1,0,2]=4 606 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|1,0,0]=2 607 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|1,0,0]=2 608 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,0,0,0,0|1,0,0]=2 610 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,0,0,0,0|1,0,2]=4 613 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,0,0,0,0|1,0,2]=4 615 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,0,0,0,0|1,0,2]=4 616 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,0,0,0,0|1,0,2]=4 617 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,0,0,0,0|1,0,2]=4 618 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,0,0,0,0|1,0,2]=4 619 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,0,0,0,0|1,0,2]=4 620 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,0,0,0,0|1,0,2]=4 621 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,0,0,0,0|0,0,2]=3 622 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,0,0,0,0|1,0,2]=4 626 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,0,0,0,0|1,0,2]=4 629 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,0,0,0,0|0,0,3]=4 630 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,0,0,0,0|1,0,2]=4 631 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,0,0,0,0|1,0,2]=4 632 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,0,0,0,0|1,0,2]=4 633 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,0,0,0,0|1,0,2]=4 634 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,0,0,0,0|0,0,3]=4 635 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,0,0,0,0|0,0,3]=4 636 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,0,0,0,0|1,0,1]=3 638 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,0,0,0,0|1,0,2]=4 641 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,0,0,0,0|1,0,2]=4 642 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,0,0,0,0|1,0,2]=4 643 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,0,0,0,0|1,0,2]=4 644 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,0,0,0,0|1,0,2]=4 645 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,0,0,0,0|1,0,2]=4 646 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,0,0,0,0|1,0,2]=4 650 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,0,0,0,0|1,0,2]=4 651 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,0,0,0,0|1,0,2]=4 652 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,0,0,0,0|1,0,2]=4 653 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.7 CCNC/C=C/B(O)O 2230a_100015525214_100016262062 [0,1,0,0,0,0|1,0,1]=3 656 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,0,0,0,0|1,0,2]=4 659 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [0,1,0,0,0,0|1,0,1]=3 665 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,0,0,0,0|1,0,2]=4 668 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,0,0,0,0|1,0,2]=4 669 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,0,0,0,0|1,0,2]=4 670 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,0,0,0,0|1,0,2]=4 671 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,0,0,0,0|1,0,2]=4 672 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,0,0,0,0|1,0,1]=3 682 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,0,0,0,0|1,0,2]=4 685 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,0,0,0,0|1,0,2]=4 686 B8R0.7 CCSC/C=C/B(O)O 62a_100000210202_100016262062 [0,1,0,0,0,0|1,0,1]=3 687 B8R0.7 CCSC/C=C/B(O)O 62a_100016262062_100000210202 [0,1,0,0,0,0|1,0,1]=3 688 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,0,0,0,0|1,0,2]=4 693 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,0,0,0,0|1,0,2]=4 694 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,0,0,0,0|1,0,2]=4 695 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,0,0,0,0|1,0,2]=4 709 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,0,0,0,0|1,0,2]=4 710 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,0,0,0,0|1,0,2]=4 711 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,0,0,0,0|1,0,1]=3 721 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,0,0,0,0|1,0,2]=4 722 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,0,0,0,0|1,0,2]=4 723 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,0,0,0,0|1,0,2]=4 724 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,0,0,0,0|1,0,2]=4 725 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,0,0,0,0|1,0,1]=3 734 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,0,0,0,0|1,0,2]=4 741 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,0,0,0,0|1,0,2]=4 744 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,0,0,0,0|1,0,2]=4 745 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,0,0,0,0|1,0,2]=4 747 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,0,0,0,0|1,0,2]=4 748 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,0,0,0,0|1,0,1]=3 759 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,0,0,0,0|1,0,2]=4 765 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,0,0,0,0|1,0,2]=4 768 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,0,0,0,0|1,0,2]=4 769 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,0,0,0,0|1,0,2]=4 771 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,0,0,0,0|1,0,2]=4 784 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,0,0,0,0|1,0,1]=3 785 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,0,0,0,0|1,0,1]=3 786 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,0,0,0,0|1,0,2]=4 789 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,0,0,0,0|1,0,2]=4 790 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,0,0,0,0|1,0,2]=4 791 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,0,0,0,0|1,0,2]=4 792 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,0,0,0,0|1,0,2]=4 793 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,0,0,0,0|1,0,2]=4 794 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,0,0,0,0|1,0,2]=4 795 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,0,0,0,0|1,0,2]=4 796 B8R0.7 OB(O)/C=C/CSCF 62a_100015361967_100016262062 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.7 OB(O)/C=C/CSCF 62a_100016262062_100015361967 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,0,0,0,0|1,0,2]=4 799 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,0,0,0,0|1,0,2]=4 800 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,0,0,0,0|1,0,1]=3 801 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,0,0,0,0|1,0,2]=4 802 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,0,0,0,0|1,0,2]=4 803 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|1,0,0]=2 815 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|1,0,0]=2 816 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|0,0,3]=4 817 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|1,0,2]=4 818 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|1,0,2]=4 819 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|1,0,2]=4 821 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|1,0,2]=4 822 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|1,0,2]=4 823 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|1,0,2]=4 824 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|1,0,2]=4 832 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|1,0,1]=3 836 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|1,0,2]=4 842 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|1,0,2]=4 843 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|2,0,1]=4 845 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|2,0,1]=4 850 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|1,0,2]=4 852 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|1,0,2]=4 853 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|1,0,2]=4 854 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|1,0,2]=4 855 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,0,0,0,0|2,0,1]=4 860 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,0,0,0,0|2,0,1]=4 861 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,0|1,0,2]=4 866 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,0|1,0,2]=4 867 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|1,0,2]=4 868 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|1,0,2]=4 869 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|1,0,1]=3 876 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|2,0,1]=4 880 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|1,0,2]=4 882 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|1,0,2]=4 883 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|2,0,1]=4 884 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|2,0,1]=4 890 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,0,0,0,0|1,0,2]=4 891 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,1,0,0,0,0|1,0,2]=4 892 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|1,0,2]=4 895 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|1,0,2]=4 896 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,0,0,0,0|1,0,2]=4 897 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,0,0,0,0|3,0,0]=4 909 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,0,0,0,0|1,0,1]=3 917 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,0,0,0,0|1,0,2]=4 918 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,0,0,0,0|1,0,2]=4 921 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,0,0,0,0|1,0,2]=4 925 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,0,0,0,0|1,0,2]=4 928 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|2,0,1]=4 931 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,0,0,0,0|1,0,1]=3 932 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|1,0,2]=4 933 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,0,0,0,0|1,0,2]=4 936 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,0,0,0,0|1,0,2]=4 937 B8R0.28 CN(C)C/C=C/B(O)O 2230a_100102631434_100016262062 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.28 CN(C)C/C=C/B(O)O 269982a_100102631434_100016262062 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,1,0,0,0,0|2,0,0]=3 940 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,0,0,0,0|1,0,2]=4 941 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,0,0,0,0|1,0,2]=4 942 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,0,0,0,0|1,0,2]=4 944 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,0,0,0,0|1,0,2]=4 946 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,0,0,0,0|1,0,1]=3 948 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,0,0,0,0|2,0,1]=4 949 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,0,0,0,0|2,0,1]=4 950 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,0,0,0,0|1,0,2]=4 951 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,0,0,0,0|1,0,2]=4 952 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,0,0,0,0|2,0,1]=4 953 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,0,0,1,0,0|2,0,1]=4 954 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,1,0,0|0,1,1]=3 955 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,0,0,1,0,0|3,0,0]=4 956 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,0,0,1,0,0|2,0,0]=3 957 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,0,0,1,0,0|3,0,0]=4 958 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,0,0,1,0,0|1,0,2]=4 962 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,0,0,1,0,0|1,1,1]=4 963 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,0,0,1,0,0|1,0,2]=4 964 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,0,0,1,0,0|1,1,1]=4 965 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,1,0,0|2,0,1]=4 967 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,1,0,0|2,0,1]=4 968 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,1,0,0|1,0,2]=4 969 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,1,0,0|1,0,2]=4 970 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,1,0,0|2,0,1]=4 971 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|1,0,0]=2 972 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,1,0,0|2,0,0]=3 973 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,1,0,0|2,0,0]=3 974 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|1,0,2]=4 975 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|1,0,2]=4 976 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|2,0,1]=4 977 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|2,0,1]=4 979 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|2,0,1]=4 980 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|1,0,0]=2 981 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,1,0,0|2,0,0]=3 982 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,1,0,0|2,0,0]=3 983 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|1,0,2]=4 984 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|2,0,1]=4 987 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|2,0,1]=4 988 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|2,0,1]=4 989 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|1,0,2]=4 990 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|1,0,2]=4 991 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,0|1,0,0]=2 992 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,0|1,0,2]=4 993 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,0|1,0,2]=4 994 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,0|2,0,1]=4 995 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,0|2,0,1]=4 996 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,0|2,0,1]=4 997 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,0|2,0,1]=4 998 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,1,0,0|1,0,2]=4 1000 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,0|1,0,0]=2 1001 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,0|1,0,2]=4 1002 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|1,0,0]=2 1003 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|1,0,2]=4 1004 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|1,0,2]=4 1005 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|2,0,1]=4 1006 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,0|2,0,1]=4 1007 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,0|2,0,1]=4 1008 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,0|2,0,1]=4 1009 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,0|2,0,1]=4 1010 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,0|3,0,0]=4 1011 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|1,0,1]=3 1014 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|1,0,2]=4 1015 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|1,0,2]=4 1016 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|1,0,0]=2 1017 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|1,0,2]=4 1018 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|1,0,2]=4 1019 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|1,0,2]=4 1020 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|2,0,0]=4 1021 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|2,0,0]=4 1022 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|2,0,0]=4 1023 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 1024 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 1025 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 1026 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1027 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,0]=3 1028 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,0]=3 1029 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1030 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1031 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1032 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 1033 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 1034 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 1035 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1036 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1037 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1038 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1039 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 1040 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1041 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 1042 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1043 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1044 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 1045 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1046 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 1047 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1048 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1049 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 1050 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1051 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1052 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|2,0,0]=4 1053 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|2,0,0]=4 1054 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|2,0,0]=4 1055 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 1056 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1057 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1058 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1059 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1060 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1061 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1062 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 1063 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 1064 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,1]=4 1065 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,1]=4 1066 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,1]=4 1067 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,1]=4 1068 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,1]=4 1069 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,1]=4 1070 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,1]=4 1071 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1072 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 1073 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|1,0,1]=4 1074 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|1,0,1]=4 1075 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1076 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,1]=4 1077 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,1]=4 1078 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,1]=4 1079 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,1]=4 1080 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,1]=4 1081 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,1]=4 1082 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,1]=4 1083 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 1084 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 1085 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 1086 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 1087 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 1088 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 1089 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1090 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 1091 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1092 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,1]=4 1093 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1094 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,1]=4 1095 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1096 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,1]=4 1097 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 1098 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 1099 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 1100 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 1101 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|1,0,0]=3 1102 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|1,0,0]=3 1103 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|2,0,0]=4 1104 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,1,0,0,0,0|2,0,0]=4 1107 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,0,2]=4 1111 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,1]=4 1114 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 1115 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 1117 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|2,0,0]=4 1118 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|1,0,1]=4 1126 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,2]=4 1127 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|2,0,0]=4 1130 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,2]=4 1131 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|2,0,0]=4 1132 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,0]=3 1133 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,0]=3 1135 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 1136 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 1137 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,1]=4 1140 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,1]=3 1141 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,1]=4 1142 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 1143 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 1144 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 1145 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 1150 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 1151 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1152 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1153 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1154 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1155 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1156 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1157 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,1]=4 1160 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,1]=4 1161 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,1]=4 1162 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 1163 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 1164 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,1]=4 1171 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|2,0,0]=4 1172 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|2,0,0]=4 1173 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,1,0,0,0,0|2,0,0]=4 1174 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,1]=4 1179 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 1180 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|2,0,0]=4 1184 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,1]=4 1187 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|1,0,0]=3 1188 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|1,0,0]=3 1189 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|0,0,2]=4 1190 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,1]=4 1194 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 1196 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 1197 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|1,0,1]=4 1200 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|1,0,1]=4 1201 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|2,0,0]=4 1204 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,1]=4 1205 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,1]=4 1207 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,1]=4 1208 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|2,0,0]=4 1209 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|2,0,0]=4 1211 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,1]=4 1212 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|1,0,0]=3 1213 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,1]=4 1215 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1217 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1218 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1222 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 1223 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|1,0,0]=3 1224 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,1]=4 1225 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,1]=4 1226 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,1,0,0,0,0|1,0,1]=4 1227 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,1,0,0,0,0|1,0,1]=4 1228 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|1,0,1]=4 1229 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|1,0,1]=4 1230 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|1,0,1]=4 1236 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,0,1]=4 1239 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,1,0,0,0,0|1,0,1]=4 1252 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|0,0,1]=3 1258 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|0,0,1]=3 1259 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|0,0,1]=3 1260 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|0,0,1]=3 1261 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|0,0,2]=4 1262 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|0,0,2]=4 1263 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|0,0,2]=4 1264 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|0,0,2]=4 1265 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|0,0,2]=4 1266 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|0,0,2]=4 1267 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|0,0,2]=4 1268 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,1,0,0,0,0|1,0,1]=4 1269 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,1,0,0,0,0|1,0,1]=4 1270 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|0,0,2]=4 1271 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|0,0,2]=4 1272 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,1,0,0,0,0|0,0,2]=4 1273 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,1,0,0,0,0|0,0,2]=4 1274 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,1,0,0,0,0|1,0,1]=4 1275 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,1,0,0,0,0|1,0,1]=4 1277 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,1,0,0,0,0|0,0,2]=4 1279 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,1,0,0,0,0|0,0,2]=4 1280 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|1,0,1]=4 1282 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|1,0,1]=4 1283 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,1,0,0,0,0|1,0,1]=4 1284 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,1,0,0,0,0|1,0,1]=4 1285 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,1,0,0,0,0|1,0,1]=4 1286 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,1,0,0,0,0|1,0,1]=4 1287 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,1,0,0,0,0|1,0,1]=4 1288 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,1,0,0,0,0|1,0,1]=4 1289 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,1,0,0,0,0|1,0,1]=4 1290 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,1,0,0,0,0|1,0,1]=4 1291 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,1,0,0,0,0|1,0,1]=4 1292 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,1,0,0,0,0|1,0,1]=4 1293 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,1,0,0,0,0|1,0,1]=4 1294 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,1,0,0,0,0|0,0,2]=4 1296 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,1,0,0,0,0|0,0,2]=4 1297 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|1,0,0]=3 1300 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,0]=3 1305 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,0]=3 1306 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,0]=3 1307 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,2]=4 1308 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,2]=4 1309 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|1,0,1]=4 1310 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|1,0,1]=4 1311 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|2,0,0]=4 1316 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|2,0,0]=4 1320 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,2,0,0,0,0|2,0,0]=4 1321 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,2,0,0,0,0|2,0,0]=4 1322 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,2,0,0,0,0|2,0,0]=4 1323 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,2,0,0,0,0|2,0,0]=4 1324 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,2,0,0,0,0|2,0,0]=4 1325 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,2,0,0,0,0|2,0,0]=4 1326 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,2,0,0,0,0|1,0,1]=4 1327 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,2,0,0,0,0|0,0,2]=4 1328 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,2,0,0,0,0|2,0,0]=4 1329 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,2,0,0,0,0|2,0,0]=4 1330 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,2,0,0,0,0|2,0,0]=4 1331 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,2,0,0,0,0|2,0,0]=4 1332 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,2,0,0,0,0|1,0,1]=4 1333 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,2,0,0,0,0|1,0,1]=4 1334 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,2,0,0,0,0|0,0,2]=4 1335 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,2,0,0,0,0|0,0,2]=4 1336 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,2,0,0,0,0|2,0,0]=4 1337 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,2,0,0,0,0|2,0,0]=4 1338 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,2,0,0,0,0|2,0,0]=4 1339 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,2,0,0,0,0|2,0,0]=4 1341 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,2,0,0,0,0|2,0,0]=4 1342 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,2,0,0,0,0|2,0,0]=4 1344 B9R0.4 CCCNC(=O)C=C(Cl)Cl 1626a_100020643023_100000137448 [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.4 CCCNC(=O)C=C(Cl)Cl 240690a_100020643023_100000137448 [0,2,0,0,0,0|2,0,0]=4 1346 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|1,0,1]=4 1347 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,2,0,0,0,0|1,0,1]=4 1348 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,2,0,0,0,0|1,0,1]=4 1349 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|1,0,1]=4 1350 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,2,0,0,0,0|2,0,0]=4 1351 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,2,0,0,0,0|0,0,2]=4 1352 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|1,0,1]=4 1353 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|0,0,2]=4 1354 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,2,0,0,0,0|1,0,1]=4 1355 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,2,0,0,0,0|1,0,1]=4 1356 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,2,0,0,0,0|0,0,2]=4 1357 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|2,0,0]=4 1358 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,2,0,0,0,0|2,0,0]=4 1359 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,2,0,0,0,0|1,0,1]=4 1360 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,2,0,0,0,0|1,0,1]=4 1361 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,2,0,0,0,0|2,0,0]=4 1362 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,2,0,0,0,0|2,0,0]=4 1363 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,2,0,0,0,0|2,0,0]=4 1364 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,2,0,0,0,0|2,0,0]=4 1366 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,2,0,0,0,0|1,0,1]=4 1368 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,2,0,0,0,0|1,0,1]=4 1369 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,2,0,0,0,0|0,0,2]=4 1370 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,2,0,0,0,0|1,0,1]=4 1371 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|2,0,0]=4 1372 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|2,0,0]=4 1373 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|2,0,0]=4 1374 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,2,0,0,0,0|2,0,0]=4 1375 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,2,0,0,0,0|1,0,1]=4 1376 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,2,0,0,0,0|1,0,1]=4 1377 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,2,0,0,0,0|0,0,2]=4 1378 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,2,0,0,0,0|2,0,0]=4 1379 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,2,0,0,0,0|1,0,1]=4 1380 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,2,0,0,0,0|1,0,1]=4 1381 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,2,0,0,0,0|1,0,1]=4 1382 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,2,0,0,0,0|2,0,0]=4 1383 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,2,0,0,0,0|2,0,0]=4 1385 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,2,0,0,0,0|1,0,1]=4 1386 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,2,0,0,0,0|1,0,1]=4 1387 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,2,0,0,0,0|1,0,1]=4 1388 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,2,0,0,0,0|0,0,2]=4 1389 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,2,0,0,0,0|2,0,0]=4 1390 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|1,0,1]=4 1391 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,2,0,0,0,0|1,0,1]=4 1392 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,2,0,0,0,0|2,0,0]=4 1393 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,2,0,0,0,0|2,0,0]=4 1394 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,2,0,0,0,0|2,0,0]=4 1395 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,2,0,0,0,0|2,0,0]=4 1396 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,2,0,0,0,0|1,0,1]=4 1397 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,2,0,0,0,0|1,0,1]=4 1398 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,2,0,0,0,0|0,0,2]=4 1399 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|1,0,1]=4 1400 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,2,0,0,0,0|1,0,1]=4 1401 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,2,0,0,0,0|0,0,2]=4 1402 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,2,0,0,0,0|1,0,1]=4 1403 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,2,0,0,0,0|1,0,1]=4 1404 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,2,0,0,0,0|1,0,1]=4 1405 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,2,0,0,0,0|1,0,1]=4 1406 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,2,0,0,0,0|1,0,1]=4 1407 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,2,0,0,0,0|1,0,1]=4 1408 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,2,0,0,0,0|1,0,1]=4 1409 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,2,0,0,0,0|1,0,0]=3 1410 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,2,0,0,0,0|1,0,0]=3 1411 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,2,0,0,0,0|1,0,0]=3 1412 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,2,0,0,0,0|1,0,0]=3 1413 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,2,0,0,0,0|1,0,0]=3 1414 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|2,0,0]=4 1415 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|1,0,1]=4 1416 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|1,0,1]=4 1417 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|0,0,1]=3 1418 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|1,0,1]=4 1419 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|0,0,1]=3 1420 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|0,0,1]=3 1421 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|0,0,2]=4 1422 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|1,0,1]=4 1423 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|1,0,1]=4 1424 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|1,0,1]=4 1425 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|1,0,1]=4 1426 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|1,0,1]=4 1427 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|1,0,1]=4 1428 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,0,1]=4 1429 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,1]=4 1430 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|1,0,1]=4 1431 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|1,0,1]=4 1432 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|1,0,1]=4 1433 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|1,0,1]=4 1434 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|1,0,1]=4 1435 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|1,0,1]=4 1437 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,2,0,0,0,0|2,0,0]=4 1439 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,2,0,0,0,0|1,0,1]=4 1441 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,2,0,0,0,0|2,0,0]=4 1443 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,2,0,0,0,0|2,0,0]=4 1444 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,2,0,0,0,0|2,0,0]=4 1445 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,2,0,0,0,0|1,0,1]=4 1449 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,2,0,0,0,0|1,0,1]=4 1450 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,2,0,0,0,0|0,0,2]=4 1451 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,2,0,0,0,0|1,0,1]=4 1452 B9R0.53 CC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218427 [0,2,0,0,0,0|2,0,0]=4 1453 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,2,0,0,0,0|1,0,1]=4 1454 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,2,0,0,0,0|1,0,1]=4 1455 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,2,0,0,0,0|1,0,1]=4 1456 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,2,0,0,0,0|0,0,2]=4 1457 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,2,0,0,0,0|1,0,1]=4 1458 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|0,0,2]=4 1459 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|1,0,1]=4 1460 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,2,0,0,0,0|2,0,0]=4 1462 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|0,0,2]=4 1463 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|1,0,1]=4 1464 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|1,0,1]=4 1465 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.1 CCC(=O)C/C=C/B(O)O 1458a_100000210414_100016262062 [0,2,0,0,0,0|1,0,1]=4 1467 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,2,0,0,0,0|1,0,1]=4 1469 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,2,0,0,0,0|2,0,0]=4 1470 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,2,0,0,0,0|0,0,2]=4 1471 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,2,0,0,0,0|1,0,1]=4 1472 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,2,0,0,0,0|0,0,2]=4 1473 B9R0.1 CCN(C)C/C=C/B(O)O 2230a_100000225621_100016262062 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.1 CCN(C)C/C=C/B(O)O 269982a_100000225621_100016262062 [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,2,0,0,0,0|0,0,2]=4 1476 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,2,0,0,0,0|0,0,2]=4 1477 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,2,0,0,0,0|2,0,0]=4 1478 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,2,0,0,0,0|2,0,0]=4 1479 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,2,0,0,0,0|1,0,0]=3 1480 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,2,0,0,0,0|1,0,0]=3 1481 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,2,0,0,0,0|2,0,0]=4 1482 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|1,0,1]=4 1484 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,1]=4 1486 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,2,0,0,0,0|1,0,1]=4 1487 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|1,0,1]=4 1488 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,2,0,0,0,0|1,0,1]=4 1489 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,2,0,0,0,0|1,0,1]=4 1490 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,2,0,0,0,0|1,0,1]=4 1491 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|1,0,1]=4 1493 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,2,0,0,0,0|1,0,1]=4 1494 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,2,0,0,0,0|1,0,1]=4 1496 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,2,0,0,0,0|1,0,1]=4 1497 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,2,0,0,0,0|1,0,1]=4 1498 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,2,0,0,0,0|1,0,1]=4 1499 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,2,0,0,0,0|1,0,1]=4 1500 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,2,0,0,0,0|1,0,1]=4 1501 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [0,2,0,0,0,0|1,0,0]=3 1502 B9R0.5 C#CCC(=O)C=CCOC 1458a_100016285016_100000184674 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,2,0,0,0,0|0,0,2]=4 1505 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [0,2,0,0,0,0|1,0,0]=3 1506 B9R0.5 C=CCC(=O)C=CCOC 1458a_100016285016_100000210623 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|1,0,1]=4 1509 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|1,0,1]=4 1510 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|1,0,1]=4 1511 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,2,0,0,0,0|0,0,2]=4 1512 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,2,0,0,0,0|0,0,2]=4 1513 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|0,0,2]=4 1514 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,2,0,0,0,0|0,0,2]=4 1515 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|2,0,0]=4 1516 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|2,0,0]=4 1517 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [0,2,0,0,0,0|1,0,0]=3 1518 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|1,0,0]=3 1519 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,2,0,0,0,0|1,0,0]=3 1520 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,2,0,0,0,0|0,0,0]=2 1521 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 1522 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|1,0,0]=3 1523 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,2,0,0,0,0|1,0,0]=3 1524 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|0,0,2]=4 1525 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|0,0,2]=4 1526 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|0,0,2]=4 1527 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|0,0,2]=4 1528 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|1,0,1]=4 1529 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|1,0,1]=4 1530 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|1,0,1]=4 1531 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|1,0,1]=4 1532 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|1,0,1]=4 1533 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|1,0,1]=4 1534 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|1,0,1]=4 1535 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|1,0,1]=4 1538 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|1,0,1]=4 1539 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|1,0,1]=4 1540 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|1,0,1]=4 1541 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|1,0,1]=4 1542 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|1,0,1]=4 1543 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|1,0,1]=4 1544 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|1,0,1]=4 1545 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|1,0,0]=3 1551 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|1,0,0]=3 1552 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|1,0,0]=3 1553 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|1,0,0]=3 1554 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|1,0,0]=3 1555 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|1,0,0]=3 1556 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|1,0,0]=3 1557 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|1,0,0]=3 1558 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|1,0,0]=3 1561 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.5 CNNC(=O)C=CCOC 22a_100016993582_100016285016 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.5 COCC=CC(=O)CC#N 1458a_100016285016_100011214920 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,2,0,0,0,0|1,0,0]=3 1566 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|1,0,1]=4 1567 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,0,1]=4 1568 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,0,1]=4 1569 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|1,0,0]=3 1570 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|1,0,0]=3 1571 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|1,0,0]=3 1572 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|1,0,0]=3 1573 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|1,0,0]=3 1574 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|1,0,1]=4 1575 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|0,0,2]=4 1576 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1577 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1578 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1587 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1588 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1589 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1590 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,1]=4 1591 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,1]=4 1592 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|1,0,1]=4 1593 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|1,0,1]=4 1594 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,2,0,0,0,0|2,0,0]=4 1595 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|1,0,1]=4 1596 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|1,0,1]=4 1597 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|1,0,1]=4 1598 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,2,0,0,0,0|1,0,1]=4 1605 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|1,0,1]=4 1606 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|1,0,1]=4 1607 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,1]=4 1608 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,1]=4 1610 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,1]=4 1611 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,1]=4 1612 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|1,0,1]=4 1613 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|1,0,1]=4 1614 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,2,0,0,0,0|1,0,1]=4 1615 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,2]=4 1616 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,2,0,0,0,0|1,0,0]=3 1617 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,2,0,0,0,0|1,0,0]=3 1618 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,2,0,0,0,0|1,0,0]=3 1619 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 1620 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 1621 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,2,0,0,0,0|1,0,0]=3 1622 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,2,0,0,0,0|1,0,0]=3 1624 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,2,0,0,0,0|1,0,0]=3 1625 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,2,0,0,0,0|1,0,0]=3 1626 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 1627 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,2,0,0,0,0|1,0,0]=3 1628 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|0,0,2]=4 1629 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,2,0,0,0,0|0,0,2]=4 1630 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,2,0,0,0,0|0,0,2]=4 1631 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,2,0,0,0,0|0,0,2]=4 1632 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,2,0,0,0,0|0,0,2]=4 1633 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,2,0,0,0,0|1,0,1]=4 1634 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|0,0,2]=4 1635 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,2,0,0,0,0|0,0,2]=4 1636 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,2,0,0,0,0|0,0,2]=4 1637 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|0,0,2]=4 1638 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|0,0,2]=4 1639 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,2,0,0,0,0|1,0,0]=3 1640 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|0,0,2]=4 1641 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,2,0,0,0,0|0,0,2]=4 1642 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|0,0,2]=4 1643 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|0,0,2]=4 1644 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,2,0,0,0,0|1,0,1]=4 1645 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,2,0,0,0,0|0,0,0]=2 1646 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,2,0,0,0,0|0,0,2]=4 1647 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,2,0,0,0,0|1,0,1]=4 1648 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,2,0,0,0,0|0,0,0]=2 1649 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|0,0,2]=4 1650 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,2,0,0,0,0|0,0,2]=4 1651 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|1,0,1]=4 1652 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|1,0,1]=4 1653 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,2,0,0,0,0|1,0,1]=4 1654 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|1,0,1]=4 1655 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,2,0,0,0,0|1,0,1]=4 1656 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,2,0,0,0,0|1,0,1]=4 1657 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,2,0,0,0,0|0,0,0]=2 1658 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,2,0,0,0,0|0,0,0]=2 1659 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,2,0,0,0,0|0,0,2]=4 1660 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,2,0,0,0,0|0,0,2]=4 1661 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|1,0,1]=4 1662 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|1,0,1]=4 1663 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,2,0,0,0,0|0,0,2]=4 1664 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,2,0,0,0,0|0,0,2]=4 1665 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,2,0,0,0,0|0,0,2]=4 1666 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,2,0,0,0,0|1,0,1]=4 1667 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,2,0,0,0,0|1,0,1]=4 1668 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,2,0,0,0,0|1,0,1]=4 1669 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,2,0,0,0,0|1,0,0]=3 1670 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,2,0,0,0,0|1,0,0]=3 1671 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|0,0,2]=4 1673 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|0,0,2]=4 1674 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,2,0,0,0,0|0,0,2]=4 1675 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,2,0,0,0,0|0,0,2]=4 1676 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,2,0,0,0,0|0,0,2]=4 1677 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,2,0,0,0,0|0,0,2]=4 1678 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,2,0,0,0,0|1,0,1]=4 1679 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,2,0,0,0,0|1,0,1]=4 1680 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,2,0,0,0,0|1,0,1]=4 1681 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,2,0,0,0,0|1,0,1]=4 1682 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,2,0,0,0,0|1,0,1]=4 1683 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,2,0,0,0,0|1,0,1]=4 1684 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,2,0,0,0,0|1,0,1]=4 1685 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,2,0,0,0,0|1,0,1]=4 1686 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,2,0,0,0,0|1,0,1]=4 1687 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,2,0,0,0,0|1,0,1]=4 1688 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,2,0,0,0,0|1,0,1]=4 1689 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,2,0,0,0,0|1,0,1]=4 1690 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,2,0,0,0,0|1,0,1]=4 1691 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,2,0,0,0,0|1,0,1]=4 1692 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,2,0,0,0,0|1,0,1]=4 1693 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|1,0,1]=4 1694 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|1,0,1]=4 1695 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,2,0,0,0,0|1,0,1]=4 1696 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,2,0,0,0,0|1,0,1]=4 1697 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|0,0,2]=4 1698 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|0,0,2]=4 1699 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|0,0,2]=4 1700 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|0,0,2]=4 1701 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|1,0,1]=4 1702 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|1,0,1]=4 1703 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,2,0,0,0,0|1,0,1]=4 1704 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|1,0,1]=4 1706 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|1,0,1]=4 1707 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,2,0,0,0,0|1,0,1]=4 1708 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,2,0,0,0,0|1,0,1]=4 1709 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|1,0,1]=4 1710 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|1,0,1]=4 1711 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,2,0,0,0,0|0,0,2]=4 1712 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|0,0,2]=4 1713 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|1,0,1]=4 1714 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|1,0,1]=4 1715 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,2,0,0,0,0|0,0,2]=4 1716 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,2]=4 1717 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,2]=4 1718 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|1,0,0]=3 1719 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,2,0,0,0,0|1,0,0]=3 1720 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,2,0,0,0,0|1,0,0]=3 1721 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,2,0,0,0,0|1,0,0]=3 1722 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,2,0,0,0,0|0,0,2]=4 1723 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|0,0,2]=4 1724 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|0,0,2]=4 1725 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,2,0,0,0,0|1,0,1]=4 1726 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,2,0,0,0,0|1,0,1]=4 1727 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|1,0,1]=4 1728 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|1,0,1]=4 1729 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|1,0,1]=4 1730 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|0,0,2]=4 1731 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|0,0,2]=4 1732 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|0,0,2]=4 1733 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.47 CCCNNC(=O)C(O)O 22a_100000740057_100000233687 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|1,0,1]=4 1738 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|1,0,1]=4 1739 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|1,0,1]=4 1740 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,2,0,0,0,0|2,0,0]=4 1741 B9R0.47 CCOC=CC(=O)N(C)C 11a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.47 CCOC=CC(=O)N(C)C 1626a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.47 CCOC=CC(=O)N(C)C 240690a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,2,0,0,0,0|1,0,1]=4 1745 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.47 COCC=CC(=O)N(C)C 11a_100102631434_100016285016 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.47 COCC=CC(=O)N(C)C 1626a_100102631434_100016285016 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.47 COCC=CC(=O)N(C)C 240690a_100102631434_100016285016 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,2,0,0,0,0|1,0,1]=4 1751 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,2,0,0,0,0|1,0,1]=4 1753 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,2,0,0,0,0|1,0,1]=4 1754 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,2,0,0,0,0|1,0,1]=4 1755 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,2,0,0,0,0|1,0,1]=4 1758 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,2,0,0,0,0|1,0,1]=4 1759 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|0,0,2]=4 1760 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,2,0,0,0,0|1,0,1]=4 1761 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,2,0,0,0,0|1,0,0]=3 1762 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,2,0,0,0,0|1,0,0]=3 1763 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,2,0,0,0,0|1,0,1]=4 1764 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,2,0,0,0,0|1,0,0]=3 1765 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,2,0,0,0,0|1,0,0]=3 1766 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,2,0,0,0,0|1,0,1]=4 1767 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,2,0,0,0,0|1,0,0]=3 1768 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,2,0,0,0,0|1,0,0]=3 1769 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,2,0,0,0,0|0,0,2]=4 1770 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,2,0,0,0,0|0,0,2]=4 1771 B9R0.2 CCCNN=CC=C(C)C 4a_100000740057_100011215525 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.2 CCCOC/C=C/B(O)O 34a_100000210258_100016262062 [0,2,0,0,0,0|1,0,1]=4 1773 B9R0.2 CCCSC/C=C/B(O)O 62a_100000210303_100016262062 [0,2,0,0,0,0|1,0,1]=4 1774 B9R0.2 CCCSC/C=C/B(O)O 62a_100016262062_100000210303 [0,2,0,0,0,0|1,0,1]=4 1775 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,2,0,0,0,0|0,0,2]=4 1776 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,2,0,0,0,0|0,0,2]=4 1777 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,2,0,0,0,0|1,0,1]=4 1778 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,2,0,0,0,0|0,0,2]=4 1779 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [0,2,0,0,0,0|1,0,1]=4 1780 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [0,2,0,0,0,0|1,0,1]=4 1781 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [0,2,0,0,0,0|1,0,1]=4 1782 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [0,2,0,0,0,0|1,0,1]=4 1783 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,2,0,0,0,0|0,0,2]=4 1784 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.2 COCSC/C=C/B(O)O 62a_100000766300_100016262062 [0,2,0,0,0,0|1,0,1]=4 1786 B9R0.2 COCSC/C=C/B(O)O 62a_100016262062_100000766300 [0,2,0,0,0,0|1,0,1]=4 1787 B9R0.2 CSCCC/C=C/B(O)O 62a_200000210301_200016261450 [0,2,0,0,0,0|1,0,1]=4 1788 B9R0.2 CSCCC/C=C/B(O)O 62a_200016261450_200000210301 [0,2,0,0,0,0|1,0,1]=4 1789 B9R0.2 CSCCC=NNC(=O)C 4a_100000189765_100000210997 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.2 CSCSC/C=C/B(O)O 62a_100011218213_100016262062 [0,2,0,0,0,0|1,0,1]=4 1792 B9R0.2 CSCSC/C=C/B(O)O 62a_100016262062_100011218213 [0,2,0,0,0,0|1,0,1]=4 1793 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,2,0,0,0,0|1,0,1]=4 1794 B9R0.2 NCCOC/C=C/B(O)O 34a_100000210304_100016262062 [0,2,0,0,0,0|1,0,1]=4 1795 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,2,0,0,0,0|0,0,2]=4 1796 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,2,0,0,0,0|0,0,2]=4 1797 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,2,0,0,0,0|1,0,1]=4 1798 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.2 OB(O)/C=C/CNCCF 34a_100000724931_100016262062 [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.2 OB(O)/C=C/COCCBr 34a_100000211926_100016262062 [0,2,0,0,0,0|1,0,1]=4 1803 B9R0.2 OB(O)/C=C/CSCCF 62a_100011217306_100016262062 [0,2,0,0,0,0|1,0,1]=4 1804 B9R0.2 OB(O)/C=C/CSCCF 62a_100016262062_100011217306 [0,2,0,0,0,0|1,0,1]=4 1805 B9R0.2 OCCNC/C=C/B(O)O 2230a_100016997473_100016262062 [0,2,0,0,0,0|1,0,1]=4 1806 B9R0.2 OCCNC/C=C/B(O)O 34a_100016990907_100016262062 [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.2 OCCSC/C=C/B(O)O 62a_100000211926_100016262062 [0,2,0,0,0,0|1,0,1]=4 1808 B9R0.2 OCCSC/C=C/B(O)O 62a_100016262062_100000211926 [0,2,0,0,0,0|1,0,1]=4 1809 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200016261450_200025704644 [0,2,0,0,0,0|1,0,1]=4 1810 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200025704644_200016261450 [0,2,0,0,0,0|1,0,1]=4 1811 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,2,0,0,0,0|1,0,1]=4 1812 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|1,0,1]=4 1816 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|1,0,1]=4 1817 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|1,0,1]=4 1819 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|1,0,1]=4 1820 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 1821 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,2,0,0,0,0|1,0,1]=4 1823 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|1,0,1]=4 1826 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,2,0,0,0,0|0,0,2]=4 1827 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,2,0,0,0,0|1,0,1]=4 1830 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,2,0,0,0,0|1,0,1]=4 1832 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,2,0,0,0,0|1,0,1]=4 1834 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,2,0,0,0,0|0,0,2]=4 1836 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.55 CC(C)NC/C=C/B(O)O 2230a_100138425928_100016262062 [0,2,0,0,0,0|1,0,1]=4 1838 B9R0.55 CC(C)NC/C=C/B(O)O 34a_100138425928_100016262062 [0,2,0,0,0,0|1,0,1]=4 1839 B9R0.55 CC(C)OC/C=C/B(O)O 34a_100000212225_100016262062 [0,2,0,0,0,0|1,0,1]=4 1840 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,2,0,0,0,0|1,0,1]=4 1841 B9R0.55 CC(C)SC/C=C/B(O)O 62a_100000210206_100016262062 [0,2,0,0,0,0|1,0,1]=4 1842 B9R0.55 CC(C)SC/C=C/B(O)O 62a_100016262062_100000210206 [0,2,0,0,0,0|1,0,1]=4 1843 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,2,0,0,0,0|0,0,2]=4 1844 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,2,0,0,0,0|1,0,1]=4 1845 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,2,0,0,0,0|1,0,1]=4 1846 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,2,0,0,0,0|1,0,1]=4 1847 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|1,0,1]=4 1851 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,2,0,0,0,0|1,0,1]=4 1853 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|1,0,1]=4 1856 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|1,0,1]=4 1857 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|2,0,0]=4 1858 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|1,0,1]=4 1861 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|1,0,1]=4 1862 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,2,0,0,0,0|1,0,1]=4 1863 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,2,0,0,0,0|1,0,1]=4 1864 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,2,0,0,0,0|1,0,1]=4 1865 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,2,0,0,0,0|1,0,1]=4 1866 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,1,0,0|0,1,1]=4 1867 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,0,0,1,0,0|2,0,0]=4 1868 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,1]=4 1869 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,1]=4 1870 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,1]=4 1871 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,1]=4 1872 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 1873 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 1874 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 1875 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,1]=4 1876 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,1]=4 1877 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,1]=4 1878 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 1879 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 1880 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 1881 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,1]=4 1882 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,1,0,0|1,0,1]=4 1883 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,1,0,0|1,0,1]=4 1884 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,1,0,0|1,0,1]=4 1885 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,1,0,0|1,0,1]=4 1886 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,1,0,0|1,0,1]=4 1887 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,0,0,1,0,0|2,0,0]=4 1888 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|1,0,1]=4 1889 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,1,0,0|0,1,0]=3 1890 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,1,0,1,0,0|2,0,0]=4 1891 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,1,0,1,0,0|1,0,0]=3 1892 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [0,1,0,1,0,0|2,0,0]=4 1893 B9R1.7 CCCc1noc(n1)O 270196a_100011193412_100015183105 [0,1,0,1,0,0|1,0,1]=4 1894 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [0,1,0,1,0,0|2,0,0]=4 1895 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,1,0,1,0,0|1,0,0]=3 1896 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|1,0,1]=4 1897 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [0,1,0,1,0,0|2,0,0]=4 1898 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|1,0,1]=4 1899 B9R1.7 CCSc1cc(on1)C 62a_100000210202_100000716708 [0,1,0,1,0,0|2,0,0]=4 1900 B9R1.7 CCSc1cc(on1)C 62a_100000716708_100000210202 [0,1,0,1,0,0|2,0,0]=4 1901 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,1,0,0|1,0,0]=3 1902 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|1,0,1]=4 1903 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|1,0,1]=4 1904 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|1,0,1]=4 1905 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|1,0,1]=4 1906 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [0,1,0,1,0,0|2,0,0]=4 1907 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [0,1,0,1,0,0|1,1,0]=4 1908 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [0,1,0,1,0,0|2,0,0]=4 1909 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [0,1,0,1,0,0|2,0,0]=4 1910 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [0,1,0,1,0,0|2,0,0]=4 1911 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [0,1,0,1,0,0|2,0,0]=4 1912 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [0,1,0,1,0,0|2,0,0]=4 1913 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [0,1,0,1,0,0|2,0,0]=4 1914 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [0,1,0,1,0,0|2,0,0]=4 1915 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [0,1,0,1,0,0|2,0,0]=4 1916 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [0,1,0,1,0,0|2,0,0]=4 1917 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [0,1,0,1,0,0|2,0,0]=4 1918 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [0,1,0,1,0,0|2,0,0]=4 1919 B9R1.7 CNCc1cc(on1)C 207a_100102657272_100011217994 [0,1,0,1,0,0|2,0,0]=4 1920 B9R1.7 CNCc1cc(on1)C 2230a_100000745230_200000210301 [0,1,0,1,0,0|2,0,0]=4 1921 B9R1.7 CNCc1cc(on1)C 2230a_106832991635_100000199038 [0,1,0,1,0,0|2,0,0]=4 1922 B9R1.7 CNCc1cc(on1)C 270004a_106832991635_100011217994 [0,1,0,1,0,0|2,0,0]=4 1923 B9R1.7 CNCc1cc(on1)C 34a_100000745230_200000210301 [0,1,0,1,0,0|2,0,0]=4 1924 B9R1.7 CNCc1cc(on1)C 34a_100102657272_100000199038 [0,1,0,1,0,0|2,0,0]=4 1925 B9R1.7 CNCc1cc(on1)C 7a_106832991635_100000199038 [0,1,0,1,0,0|2,0,0]=4 1926 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,1,0,1,0,0|1,0,1]=4 1927 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,1,0,1,0,0|1,0,1]=4 1928 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,1,0,1,0,0|1,0,1]=4 1929 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,1,0,0|1,0,1]=4 1930 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,1,0,0|1,0,1]=4 1931 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,1,0,0|1,0,1]=4 1932 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,1,0,1,0,0|1,0,1]=4 1933 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,1,0,1,0,0|1,0,1]=4 1934 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,1,0,1,0,0|1,0,1]=4 1935 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,1,0,1,0,0|0,0,2]=4 1936 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,1,0,1,0,0|2,0,0]=4 1937 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,1,0,1,0,0|2,0,0]=4 1938 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,1,0,1,0,0|2,0,0]=4 1939 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,1,0,1,0,0|2,0,0]=4 1940 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,1,0,0|1,0,0]=3 1941 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|1,0,1]=4 1942 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|1,0,1]=4 1943 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|1,0,1]=4 1944 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,1,0,1,0,0|1,1,0]=4 1945 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [0,1,0,1,0,0|2,0,0]=4 1946 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,1,0,1,0,0|2,0,0]=4 1947 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,1,0,1,0,0|2,0,0]=4 1948 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [0,1,0,1,0,0|2,0,0]=4 1949 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [0,1,0,1,0,0|2,0,0]=4 1950 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,1,0,1,0,0|1,0,1]=4 1951 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,1,0,1,0,0|1,0,1]=4 1952 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,1,0,1,0,0|1,0,1]=4 1953 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,1,0,1,0,0|1,0,1]=4 1954 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,1,0,0|1,0,0]=3 1955 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,1,0,0|1,0,0]=3 1956 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|1,0,1]=4 1957 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|1,0,1]=4 1958 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|1,0,1]=4 1959 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|1,0,1]=4 1960 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [0,1,0,1,0,0|2,0,0]=4 1961 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [0,1,0,1,0,0|2,0,0]=4 1962 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,1,0,1,0,0|2,0,0]=4 1963 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,1,0,1,0,0|2,0,0]=4 1964 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,1,0,1,0,0|2,0,0]=4 1965 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,1,0,1,0,0|2,0,0]=4 1966 B9R1.7 Cc1cc(no1)CN[13CH3] 2230a_100000745230_200025704644 [0,1,0,1,0,0|2,0,0]=4 1967 B9R1.7 Cc1cc(no1)CN[13CH3] 34a_100000745230_200025704644 [0,1,0,1,0,0|2,0,0]=4 1968 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [0,1,0,1,0,0|2,0,0]=4 1969 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,1,0,1,0,0|2,0,0]=4 1970 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,1,0,1,0,0|2,0,0]=4 1971 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [0,1,0,1,0,0|2,0,0]=4 1972 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [0,1,0,1,0,0|2,0,0]=4 1973 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,1,0,1,0,0|2,0,0]=4 1974 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,1,0,1,0,0|2,0,0]=4 1975 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,1,0,1,0,0|2,0,0]=4 1976 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,1,0,0|1,0,1]=4 1977 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,1,0,1,0,0|1,0,1]=4 1978 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,1,0,1,0,0|1,0,1]=4 1979 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,1,0,1,0,0|2,0,0]=4 1980 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,1,0,1,0,0|2,0,0]=4 1981 B9R1.7 OCCn1ccc(n1)O 271570a_203496583355_200010732121 [0,1,0,1,0,0|2,0,0]=4 1982 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [0,1,0,1,0,0|2,0,0]=4 1983 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [0,1,0,1,0,0|2,0,0]=4 1984 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,1,0,1,0,0|1,0,1]=4 1985 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|1,0,1]=4 1986 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [0,1,0,1,0,0|2,0,0]=4 1987 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,1,0,1,0,0|1,0,1]=4 1988 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,1,0,1,0,0|1,0,1]=4 1989 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,1,0,0|1,0,0]=3 1990 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,1,0,0|1,0,0]=3 1991 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|1,0,1]=4 1992 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|1,0,1]=4 1993 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|1,0,1]=4 1994 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|1,0,1]=4 1995 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [0,1,0,1,0,0|2,0,0]=4 1996 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [0,1,0,1,0,0|2,0,0]=4 1997 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,1,0,0|1,0,0]=3 1998 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,1,0,1,0,0|1,0,0]=3 1999 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,1,0,0|1,0,0]=3 2000 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,1,0,1,0,0|1,0,0]=3 2001 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,1,0,1,0,0|2,0,0]=4 2002 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|1,0,1]=4 2003 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,1,0,0|1,0,0]=3 2004 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|0,0,2]=4 2005 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|1,0,1]=4 2006 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,1,0,0|1,0,0]=3 2007 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|0,0,2]=4 2008 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|1,0,1]=4 2009 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,1,0,1,0,0|1,0,0]=3 2010 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,1,0,1,0,0|1,0,0]=3 2011 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4 2012 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|1,0,1]=4 2013 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,1,0,1,0,0|1,0,1]=4 2014 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,1,0,1,0,0|0,0,2]=4 2015 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,1,0,0|1,0,1]=4 2016 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,1,0,0|1,0,1]=4 2017 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,1,0,0|1,0,1]=4 2018 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,1,0,0|1,0,1]=4 2019 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,1,0,0|1,0,1]=4 2020 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,1,0,0|1,0,1]=4 2021 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,1,0,0|1,0,1]=4 2022 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,1,0,0|1,0,1]=4 2023 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,1,0,0|1,0,1]=4 2024 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,1,0,1,0,0|1,0,1]=4 2025 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|1,0,0]=3 2026 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,1,0,0|2,0,0]=4 2027 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|2,0,0]=4 2028 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|1,0,0]=3 2029 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|1,0,0]=3 2030 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|1,0,0]=3 2031 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,1,0,0|2,0,0]=4 2032 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,1,0,0|2,0,0]=4 2033 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,1,0,0|2,0,0]=4 2034 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,1,0,0|2,0,0]=4 2035 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,1,0,0|2,0,0]=4 2036 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|1,0,0]=3 2037 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,1,0,1,0,0|2,0,0]=4 2038 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,1,0,0|2,0,0]=4 2039 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|0,0,2]=4 2040 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|1,0,1]=4 2041 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|1,0,1]=4 2042 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,1,0,1,0,0|1,0,1]=4 2043 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,1,0,1,0,0|1,0,1]=4 2044 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,1,0,1,0,0|1,0,0]=3 2045 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,1,0,1,0,0|1,0,0]=3 2046 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,1,0,1,0,0|1,0,0]=3 2047 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|1,0,1]=4 2048 B9R1.79 O=C(C=C1CCC1)CF 1458a_100000686340_100015361967 [0,1,0,1,0,0|1,0,0]=3 2049 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|0,0,2]=4 2050 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|1,0,1]=4 2051 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|1,0,1]=4 2052 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|1,0,0]=3 2053 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|1,0,0]=3 2054 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|1,0,0]=3 2055 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|1,0,0]=3 2056 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,1]=4 2057 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,1]=4 2058 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,1,0,1,0,0|1,0,0]=3 2059 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|0,0,2]=4 2060 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|1,0,1]=4 2061 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|1,0,1]=4 2062 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,1,0,1,0,0|2,0,0]=4 2063 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|1,0,1]=4 2064 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|1,0,1]=4 2065 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|1,0,0]=3 2066 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,1,0,0|1,0,0]=3 2067 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,1,0,1,0,0|1,0,0]=3 2068 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,1,0,1,0,0|2,0,0]=4 2069 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|1,0,0]=3 2070 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|1,0,0]=3 2071 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,1,0,0|1,0,0]=3 2072 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,1,0,1,0,0|1,0,0]=3 2073 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,1,0,1,0,0|2,0,0]=4 2074 B9R1.84 CC(=O)NN=C1CCC1 4a_100000189765_100000241760 [0,1,0,1,0,0|2,0,0]=4 2075 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,1,0,1,0,0|0,0,2]=4 2076 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,1,0,1,0,0|1,0,1]=4 2077 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,1,0,1,0,0|2,0,0]=4 2078 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,1,0,1,0,0|0,0,2]=4 2079 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,1,0,1,0,0|1,0,1]=4 2080 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,1,0,1,0,0|1,0,1]=4 2081 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,1,0,1,0,0|1,0,1]=4 2082 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,1,0,1,0,0|1,0,1]=4 2083 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|0,0,2]=4 2084 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|1,0,0]=3 2085 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|1,0,0]=3 2086 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,1,0,0|1,0,0]=3 2087 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|1,0,0]=3 2088 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|1,0,0]=3 2089 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [0,1,0,1,0,0|2,0,0]=4 2090 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,1,0,1,0,0|0,1,1]=4 2091 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,1,0,1,0,0|2,0,0]=4 2092 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|2,0,0]=4 2093 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|1,0,1]=4 2094 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,1,0,1,0,0|2,0,0]=4 2095 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|2,0,0]=4