0 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,0,0|1,0,2]=3 35 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,0,0,0,0|1,0,3]=4 36 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.1 C#CC(=O)C/C=C/B(O)O 1458a_100000211873_100016262062 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.1 C=CC(=O)C/C=C/B(O)O 1458a_100000185746_100016262062 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|1,0,2]=4 60 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.1 CCC(=O)C/C=C/B(O)O 1458a_100000210414_100016262062 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,0,2]=4 69 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,0,2]=4 70 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,0,2]=4 71 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,0|1,0,1]=3 74 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,1,0,0,0,0|1,0,2]=4 81 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|1,0,2]=4 82 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.1 O=C(CO)C/C=C/B(O)O 1458a_100000210174_100016262062 [0,1,0,0,0,0|1,0,1]=3 87 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,0,0|1,0,2]=4 91 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,1,0,0,0,0|3,0,0]=4 92 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,1,0,0,0,0|3,0,0]=4 93 B9R0.53 CC(=CC(=O)CC(=O)N)Cl 1458a_200042562850_100000187820 [0,1,0,0,0,0|3,0,0]=4 94 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.53 CC(=CC(=O)CC(=O)[O-])Cl 1458a_200042562850_100020667443 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.53 CC(=CC(=O)CC(=O)[O-])I 1458a_100025716642_100020667443 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,1,0,0,0,0|3,0,0]=4 100 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,1,0,0,0,0|1,0,2]=4 102 B9R0.53 NC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000187820 [0,1,0,0,0,0|3,0,0]=4 103 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,1,0,0,0,0|1,0,2]=4 105 B9R0.53 O=C([O-])CC(=O)C=C(Cl)Cl 1458a_100000137448_100020667443 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,0|1,0,2]=4 107 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,1,0,0|1,1,1]=4 110 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,1,0,0|2,1,0]=4 111 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,1,0,0|1,1,1]=4 113 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,0,0,1,0,0|2,1,0]=4 114 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,0|1,0,2]=4 118 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,1,0|3,0,0]=4 119 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,1,0|3,0,0]=4 120 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,1,0|3,0,0]=4 121 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,1,0|2,0,1]=4 122 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,1,0|3,0,0]=4 123 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,1,0|3,0,0]=4 124 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,1,0|3,0,0]=4 125 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,1,0|3,0,0]=4 126 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,1,0|3,0,0]=4 127 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,1,0|3,0,0]=4 128 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,1,0|3,0,0]=4 129 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,1,0|3,0,0]=4 130 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,1,0|3,0,0]=4 131 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,1,0|3,0,0]=4 132 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,1,0|2,0,1]=4 133 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,1,0|3,0,0]=4 134 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,1|2,0,1]=4 135 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,1|1,0,2]=4 136 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,1|2,0,1]=4 137 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,0,1|1,0,2]=4 138 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,0,1|2,0,1]=4 139 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,0,1|1,0,2]=4 140 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [2,0,0,0,0,0|1,0,1]=4 152 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.5 O=C([O-])CC(=O)C=CBr 1458a_100016273825_100020667443 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.5 O=C([O-])CC(=O)C=CCl 1458a_200016279998_100020667443 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.5 O=C([O-])CC(=O)C=CI 1458a_100016256311_100020667443 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,1,0|2,0,0]=4 176 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [0,1,0,0,0,1|2,0,0]=4 177 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,1,0,0,0,1|0,0,2]=4 178 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,1,0,0,0,1|1,0,1]=4 179 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,1,0,0,0,1|1,0,1]=4 180 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,2,0,0,0,0|1,0,1]=4 182 B10R0.3 COCC(=O)C/C=C/B(O)O 1458a_100000210968_100016262062 [0,2,0,0,0,0|1,0,1]=4 183 B10R0.3 O=C(C/C=C/B(O)O)CCO 1458a_100011216618_100016262062 [0,2,0,0,0,0|1,0,1]=4 184 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.44 CC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000183797 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,2,0,0,0,0|2,0,0]=4 187 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,2,0,0,0,0|2,0,0]=4 189 B10R0.44 COC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000747449 [0,2,0,0,0,0|2,0,0]=4 190 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,2,0,0,0,0|1,0,1]=4 191 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,2,0,0,0,0|1,0,1]=4 192 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,2,0,0,0,0|0,0,2]=4 193 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.44 NC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000182717 [0,2,0,0,0,0|2,0,0]=4 196 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,2,0,0,0,0|2,0,0]=4 197 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,2,0,0,0,0|2,0,0]=4 198 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,2,0,0,0,0|2,0,0]=4 199 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|0,0,2]=4 200 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,2,0,0,0,0|1,0,1]=4 202 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,2,0,0,0,0|1,0,1]=4 203 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,1,0,0|0,0,2]=4 205 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,1,0,0|0,1,1]=4 206 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,0,0,1,0,0|1,1,0]=4 207 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,0,0,1,1,0|2,0,0]=4 216 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,0,0,1,1,0|2,0,0]=4 217 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [0,0,0,1,1,0|2,0,0]=4 218 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,0,0,1,1,0|2,0,0]=4 219 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,1,0,0|2,0,0]=4 220 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,1,0,0|1,0,1]=4 221 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,1,0,0|0,0,2]=4 222 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,1,0,0|0,1,1]=4 223 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,1,0,0|1,1,0]=4 225 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,1,0,0|2,0,0]=4 228 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,2,0|2,0,0]=4 229 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,2,0|2,0,0]=4 230 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,2,0|1,0,1]=4 231 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,2,0|2,0,0]=4 232 B10R0.97 O=C(O)CNC/C=C/B(O)O 269956a_100016091260_100016262062 [0,0,0,0,0,2|1,0,1]=4