0 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.55 C=C(F)CNOCC(=O)O 269956a_100000106656_100000042424 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.55 O=C(O)CONC[N+](=O)[O-] 269956a_100000106656_100000761209 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|1,0,2]=4 48 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,1,0,0,0,0|3,0,0]=4 49 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [0,1,0,0,0,0|3,0,0]=4 51 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [0,1,0,0,0,0|3,0,0]=4 52 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,0|1,0,2]=4 53 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,0|1,0,2]=4 54 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,0|1,0,2]=4 55 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,1,0,0,0,0|1,0,1]=3 57 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,1,0,0,0,0|2,0,1]=4 58 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,1,0,0,0,0|2,0,1]=4 59 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,1,0,0,0,0|1,0,2]=4 61 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,1,0,0,0,0|1,0,2]=4 62 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,1,0,0,0,0|2,0,0]=3 63 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,1,0,0,0,0|2,0,1]=4 64 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,1,0,0,0,0|1,0,2]=4 77 B10R0.96 NC(=O)CNC(=O)CC(=O)N 240690a_100000711301_100134613110 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.96 NC(=O)CNC(=O)CC(=O)N 527a_100000711301_100134613110 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [0,1,0,0,0,0|3,0,0]=4 80 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,0|1,0,2]=4 83 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,0|2,0,1]=4 84 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,0|2,0,1]=4 85 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,0,0|1,0,2]=4 86 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,0,0,1,0,0|2,0,1]=4 87 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,1,0|3,0,0]=4 88 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,1,0|3,0,0]=4 89 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,0,0,0,1,0|2,0,1]=4 90 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,1,0|2,0,1]=4 91 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,1,0|2,0,1]=4 92 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,1,0|3,0,0]=4 93 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,1,0|3,0,0]=4 94 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,1,0|2,0,1]=4 95 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,1,0|2,0,1]=4 96 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,1,0|2,0,1]=4 97 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,0,0,1,0|3,0,0]=4 98 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,1,0|2,0,0]=3 99 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,0,0,1,0|3,0,0]=4 100 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,0,0,1,0|2,0,1]=4 101 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,0,0,1,0|2,0,1]=4 102 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,1,0|2,0,1]=4 103 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,1,0|1,0,1]=3 104 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,0,0,1,0|1,0,2]=4 105 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,1,0|3,0,0]=4 106 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,0,1|1,0,2]=4 107 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,0,1|2,0,1]=4 108 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,0,1|2,0,1]=4 109 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,0,1|2,0,1]=4 110 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,0,0,0,0,1|3,0,0]=4 111 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,0,1|1,0,2]=4 112 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,0,0,0,0,1|2,0,1]=4 113 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,0,0,0,1|2,0,1]=4 114 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 124 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 126 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|0,0,2]=4 127 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [1,1,0,0,0,0|1,0,1]=4 128 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,1,0,0,0,0|1,0,1]=4 130 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,1,0,0,0,0|1,0,1]=4 131 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,1,0|2,0,0]=4 132 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,1,0|2,0,0]=4 133 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,1,0|1,0,1]=4 134 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,1,0,0,1,0|2,0,0]=4 135 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,1,0,0,1,0|1,0,1]=4 136 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,1,0,0,1,0|2,0,0]=4 137 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,1,0,0,1,0|1,0,1]=4 138 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,0,0,0,1|0,0,2]=4 139 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [0,1,0,0,0,1|1,0,1]=4 140 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [0,2,0,0,0,0|1,0,1]=4 141 B11R0.93 COC(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000211351 [0,2,0,0,0,0|2,0,0]=4 142 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,2,0,0,0,0|1,0,1]=4 143 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,2,0,0,0,0|0,0,2]=4 144 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000204255_100000747449 [0,2,0,0,0,0|1,0,1]=4 145 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000747449_100000204255 [0,2,0,0,0,0|1,0,1]=4 146 B11R0.106 COC(=O)COCCC(=O)CO 1458a_100000210174_100000090808 [0,2,0,0,0,0|1,0,1]=4 147 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,2,0,0,0,0|1,0,1]=4 148 B11R0.107 COC(=O)CCC(=O)CC(=O)N 1458a_100000187943_100000187820 [0,2,0,0,0,0|1,0,1]=4 149 B11R0.107 COC(=O)CCC(=O)CC(=O)[O-] 1458a_100000187943_100020667443 [0,2,0,0,0,0|0,0,2]=4 150 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,2,0,0,0,0|1,0,1]=4 151 B11R0.107 COC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100000182966 [0,2,0,0,0,0|2,0,0]=4 152 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,2,0,0,0,0|1,0,1]=4 153 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,2,0,0,0,0|1,0,1]=4 154 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,2,0,0,0,0|1,0,1]=4 155 B11R0.176 C=COC(=O)CNOCC(=O)O 269956a_100000106656_100000036128 [0,2,0,0,0,0|2,0,0]=4 156 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,2,0,0,0,0|1,0,1]=4 157 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,2,0,0,0,0|2,0,0]=4 158 B11R0.176 O=C(O)CONCC(=O)NCO 269956a_100000106656_100000185155 [0,2,0,0,0,0|2,0,0]=4 159 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,1,0,0|1,0,1]=4 161 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,1,0|1,0,1]=4 164 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,1,0|1,0,1]=4 165 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,1,0,0|0,1,1]=4 166 B11R1.39 COC(=O)Cc1csc(n1)O 271570a_203496583355_100010153560 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.43 CC(=O)Cc1ccc(o1)C=O 1458a_100000070787_200000079136 [0,1,0,1,0,0|1,0,1]=4 168 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,1,0,1,0,0|2,0,0]=4 169 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,2,0|2,0,0]=4 170 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,2,0|2,0,0]=4