0 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100000042424_100020667443 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100020667443_100000042424 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,0|2,0,1]=3 50 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,0|1,0,1]=2 55 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,0|1,0,2]=3 56 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,0,0,0,0,0|2,0,2]=4 61 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,0|1,0,1]=2 69 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,0,0,0,0|2,0,0]=2 74 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,0|1,0,0]=1 75 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,0,0,0,0|2,0,1]=3 79 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,0,0,0,0|2,0,1]=3 80 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,0,0,0,0,0|2,0,1]=3 82 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,0,0|1,0,1]=2 83 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,0,0|0,0,1]=1 84 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,0,0,0,0|1,0,2]=3 86 B8R0.28 O=C([O-])CSC[N+](=O)[O-] 62a_100020667443_100000761209 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|1,0,1]=3 136 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|1,0,2]=4 137 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|1,0,2]=4 139 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|1,0,2]=4 140 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,1]=3 144 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 147 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|1,0,2]=4 149 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|1,0,2]=4 150 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|1,0,1]=3 154 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,0,0,0,0,0|1,0,0]=2 155 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|1,0,1]=3 158 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|1,0,1]=3 159 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|1,0,1]=3 160 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|1,0,1]=3 165 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|0,0,1]=2 166 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|1,0,2]=4 167 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|0,0,2]=3 168 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|1,0,2]=4 169 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|1,0,2]=4 170 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|0,0,0]=1 171 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,0,0,0,0,0|1,0,1]=3 173 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,0,0,0,0,0|1,0,1]=3 174 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [1,0,0,0,0,0|1,0,2]=4 176 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 178 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|3,0,0]=4 179 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [0,1,0,0,0,0|3,0,0]=4 180 B9R0.1 C=C(C#N)CNCC(=O)N 2230a_100000711301_100000694840 [0,1,0,0,0,0|3,0,0]=4 181 B9R0.1 C=C(C#N)CNCC(=O)O 269956a_100016091260_100000694840 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,1,0,0,0,0|3,0,0]=4 183 B9R0.1 C=C(C)CNNC(=O)CO 22a_100000729518_100000210174 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,0|3,0,0]=4 185 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,1,0,0,0,0|3,0,0]=4 189 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,1,0,0,0,0|3,0,0]=4 190 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|3,0,0]=4 192 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,1,0,0,0,0|3,0,0]=4 193 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|2,0,0]=3 196 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|3,0,0]=4 197 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|3,0,0]=4 198 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|3,0,0]=4 204 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|1,0,0]=2 205 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,1,0,0,0,0|3,0,0]=4 206 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,1,0,0,0,0|3,0,0]=4 209 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,1,0,0,0,0|3,0,0]=4 210 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|1,0,1]=3 216 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|2,0,1]=4 217 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,1,0,0,0,0|2,0,0]=3 219 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,1,0,0,0,0|2,0,0]=3 220 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,0|1,0,0]=2 221 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,1]=4 223 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,1]=4 225 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [0,1,0,0,0,0|3,0,0]=4 227 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [0,1,0,0,0,0|3,0,0]=4 228 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [0,1,0,0,0,0|3,0,0]=4 229 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,1,0,0,0,0|3,0,0]=4 232 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,1,0,0,0,0|3,0,0]=4 235 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,1,0,0,0,0|2,0,1]=4 237 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|2,0,0]=3 239 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|2,0,0]=3 240 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|2,0,0]=3 241 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|3,0,0]=4 242 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,0,0,0,0|1,0,0]=2 243 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,0|0,0,0]=1 244 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|2,0,1]=4 246 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|1,0,1]=3 247 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|1,0,1]=3 248 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|2,0,0]=3 250 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|2,0,0]=3 251 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,1,0,0,0,0|2,0,0]=3 252 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,1,0,0,0,0|2,0,0]=3 253 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,1,0,0,0,0|1,0,1]=3 255 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,1,0,0,0,0|1,0,1]=3 256 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,0|2,0,1]=4 262 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,0|2,0,1]=4 263 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,0|1,0,1]=3 264 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|2,0,0]=3 265 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,1,0,0,0,0|3,0,0]=4 266 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,1,0,0,0,0|3,0,0]=4 267 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,0,0,0,0|1,0,2]=4 268 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,0,0,0,0|1,0,2]=4 271 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,0,0,0,0|1,0,2]=4 272 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [0,1,0,0,0,0|3,0,0]=4 273 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,1,0,0,0,0|3,0,0]=4 275 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,0|0,0,2]=3 276 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,0|1,0,1]=3 277 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,0|0,0,2]=3 278 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,1,0,0,0,0|1,0,2]=4 279 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,0|2,0,0]=3 280 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,1,0,0,0,0|3,0,0]=4 281 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,1,0,0,0,0|3,0,0]=4 282 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,1,0,0,0,0|2,0,0]=3 283 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 2230a_100000119354_100009893438 [0,1,0,0,0,0|3,0,0]=4 284 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 34a_100000119354_100009893438 [0,1,0,0,0,0|3,0,0]=4 285 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,1,0,0,0,0|2,0,0]=3 286 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,0|1,0,0]=2 287 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|2,0,1]=4 288 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,1,0,0,0,0|3,0,0]=4 289 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,1,0,0,0,0|3,0,0]=4 291 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,1,0,0,0,0|3,0,0]=4 292 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,1,0,0,0,0|2,0,1]=4 293 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,1,0,0,0,0|3,0,0]=4 295 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,1,0,0,0,0|3,0,0]=4 296 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,1,0,0,0,0|2,0,1]=4 297 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,0|2,0,1]=4 298 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,1,0,0,0,0|2,0,0]=3 299 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,0,0,0,0|2,0,1]=4 300 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|2,0,1]=4 301 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,1,0,0,0,0|2,0,1]=4 302 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,0|2,0,1]=4 303 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,0|1,0,2]=4 304 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,0|1,0,1]=3 305 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,1,0,0,0,0|3,0,0]=4 308 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,1,0,0,0,0|3,0,0]=4 309 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,1,0,0,0,0|2,0,1]=4 311 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,1,0,0,0,0|2,0,0]=3 312 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,1,0,0,0,0|1,0,1]=3 314 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)N 34a_100000119354_100000761209 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,0,0|1,0,0]=2 321 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,0,0|0,0,1]=2 322 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,0,0,0,0|2,0,1]=4 323 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,0|1,0,1]=3 324 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,1,0,0,0,0|1,0,1]=3 325 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100009813875_100020667443 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813875 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,1,0,0,0,0|2,0,0]=3 330 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [0,1,0,0,0,0|3,0,0]=4 331 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [0,1,0,0,0,0|3,0,0]=4 332 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [0,1,0,0,0,0|2,0,1]=4 333 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020610796_100020667443 [0,1,0,0,0,0|1,0,2]=4 335 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020667443_100020610796 [0,1,0,0,0,0|1,0,2]=4 336 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000225649_100000747473 [0,1,0,0,0,0|3,0,0]=4 337 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000739694_100000748629 [0,1,0,0,0,0|3,0,0]=4 338 B9R0.53 C=C(C)CN(C)CC(=O)N 269982a_100000225649_100000187820 [0,1,0,0,0,0|3,0,0]=4 339 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,1,0,0,0,0|2,0,0]=3 340 B9R0.53 C=C(C)CN(C)CC(=O)[O-] 269982a_100000225649_100020667443 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.53 C=C(F)CN(C)CC(=O)N 2230a_100000739694_100009893438 [0,1,0,0,0,0|3,0,0]=4 342 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,1,0,0,0,0|2,0,0]=3 343 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,0|2,0,1]=4 344 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,1,0,0,0,0|2,0,1]=4 345 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,1,0,0,0,0|2,0,1]=4 346 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,1,0,0,0,0|2,0,1]=4 347 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,1,0,0,0,0|1,0,1]=3 348 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,1,0,0,0,0|1,0,2]=4 349 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,1,0,0,0,0|2,0,0]=3 350 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,1,0,0,0,0|2,0,0]=3 351 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,1,0,0,0,0|1,0,0]=2 352 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,1,0,0,0,0|2,0,1]=4 353 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,1,0,0,0,0|1,0,1]=3 354 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,1,0,0,0,0|0,0,1]=2 355 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,1,0,0,0,0|2,0,1]=4 356 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,1,0,0,0,0|1,0,1]=3 357 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,1,0,0,0,0|2,0,1]=4 359 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,1,0,0,0,0|2,0,0]=3 360 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,0|2,0,1]=4 361 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,0|2,0,1]=4 362 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,1,0,0,0,0|2,0,1]=4 363 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,0|1,0,1]=3 364 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,1,0,0,0,0|2,1,0]=4 366 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [0,1,0,0,0,0|1,0,1]=3 367 B9R0.56 O=C(O)CNCC(F)(F)F 269956a_100016091260_100000763148 [0,1,0,0,0,0|2,0,1]=4 368 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [0,1,0,0,0,0|1,0,1]=3 369 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|3,0,0]=4 370 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,0|2,0,0]=3 371 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|3,0,0]=4 372 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,0|2,0,0]=3 373 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,1,0,0|3,0,0]=4 374 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,0,0,1,0,0|1,0,2]=4 376 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,0,0,1,0,0|2,0,1]=4 377 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|2,0,1]=4 378 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,0|1,0,1]=3 379 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,0|1,1,1]=4 380 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,0|1,0,1]=3 381 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,1,0|3,0,0]=4 382 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,1,0|3,0,0]=4 383 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,1,0|3,0,0]=4 384 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,1,0|3,0,0]=4 385 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,1,0|3,0,0]=4 386 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,1,0|3,0,0]=4 387 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,1,0|3,0,0]=4 388 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,1,0|2,0,0]=3 389 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,1,0|2,0,1]=4 390 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,0,0,1,0|2,0,1]=4 391 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,1,0|2,0,0]=3 392 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,1,0|2,0,0]=3 393 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,1,0|3,0,0]=4 394 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,1,0|3,0,0]=4 395 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,1,0|2,0,0]=3 396 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,1,0|2,0,0]=3 397 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,1,0|2,0,0]=3 398 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,1,0|2,0,0]=3 399 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,1,0|2,0,1]=4 400 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,1,0|2,0,1]=4 401 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,1,0|2,0,1]=4 402 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,1,0|3,0,0]=4 403 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,1,0|3,0,0]=4 404 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,1,0|3,0,0]=4 405 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,1,0|2,0,1]=4 406 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,1,0|2,0,0]=3 407 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,0,0,1,0|2,0,1]=4 408 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,1,0|2,0,0]=3 409 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,0,0,0,0,1|3,0,0]=4 410 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,1|2,0,0]=3 411 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,1|2,0,0]=3 412 B9R0.55 C=C(F)CNOCC(=O)O 269956a_100000106656_100000042424 [0,0,0,0,0,1|2,0,0]=3 413 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,1|3,0,0]=4 414 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,1|3,0,0]=4 415 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,1|2,0,0]=3 416 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,1|2,0,1]=4 417 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,1|3,0,0]=4 418 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,0,1|3,0,0]=4 419 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,1|3,0,0]=4 420 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,0,1|3,0,0]=4 421 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,1|1,0,0]=2 422 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,0,1|3,0,0]=4 423 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,0,1|3,0,0]=4 424 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,0,1|3,0,0]=4 425 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,0,1|2,0,1]=4 426 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,0,1|3,0,0]=4 427 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,0,1|3,0,0]=4 428 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,0,1|3,0,0]=4 429 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,0,1|2,0,1]=4 430 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,0,1|2,0,1]=4 431 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,0,1|3,0,0]=4 432 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,0,0,0,0,1|3,0,0]=4 433 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,0,1|3,0,0]=4 434 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,0,1|3,0,0]=4 435 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,0,1|3,0,0]=4 436 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,1|1,0,0]=2 437 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,1|2,0,1]=4 438 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,0,0,0,1|3,0,0]=4 439 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,0,0,0,1|3,0,0]=4 440 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,0,0,0,0,1|2,0,1]=4 441 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,0,0,0,0,1|2,0,1]=4 442 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,1|2,0,1]=4 443 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,1|2,0,1]=4 444 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,1|2,0,1]=4 445 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,0,0,0,1|2,0,1]=4 446 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,0,0,0,1|2,0,1]=4 447 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,1|1,0,1]=3 448 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,0,0,0,1|2,0,1]=4 449 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,1|2,0,1]=4 450 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,1|1,0,1]=3 451 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,1|3,0,0]=4 452 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,1|1,0,1]=3 453 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,0,0,0,1|2,0,0]=3 454 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,0,1|1,0,0]=2 455 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,0,0,0,1|3,0,0]=4 456 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,0,0,0,1|3,0,0]=4 457 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,0,0,0,1|2,0,1]=4 458 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,0,0,0,1|3,0,0]=4 459 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,0,0,0,1|3,0,0]=4 460 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,0,0,0,1|2,0,1]=4 461 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,0,0,0,1|2,0,1]=4 462 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,0,1|1,0,0]=2 463 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,0,0,0,0,1|2,0,1]=4 464 B9R0.55 O=C(O)CONC[N+](=O)[O-] 269956a_100000106656_100000761209 [0,0,0,0,0,1|1,0,1]=3 465 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,0,1|0,0,1]=2 466 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,0,1|3,0,0]=4 467 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|2,0,0]=4 468 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|2,0,0]=4 469 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|2,0,0]=4 470 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|2,0,0]=4 471 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|2,0,0]=4 472 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|2,0,0]=4 473 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 474 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|1,0,1]=4 475 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|1,0,1]=4 476 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|1,0,1]=4 477 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|1,0,1]=4 478 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|0,0,1]=3 479 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|1,0,0]=3 480 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [2,0,0,0,0,0|1,0,1]=4 481 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [2,0,0,0,0,0|2,0,0]=4 482 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [2,0,0,0,0,0|1,0,0]=3 483 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [2,0,0,0,0,0|1,0,1]=4 484 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [2,0,0,0,0,0|1,0,1]=4 485 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [2,0,0,0,0,0|1,0,1]=4 486 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [2,0,0,0,0,0|2,0,0]=4 487 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [2,0,0,0,0,0|2,0,0]=4 488 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [2,0,0,0,0,0|2,0,0]=4 489 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|1,0,1]=4 490 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|0,0,1]=3 491 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|0,0,1]=3 492 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [2,0,0,0,0,0|1,0,0]=3 493 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|1,0,1]=4 494 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|1,0,1]=4 495 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|0,0,2]=4 496 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|0,0,2]=4 497 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [1,1,0,0,0,0|1,0,1]=4 498 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [1,1,0,0,0,0|1,0,1]=4 499 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [1,1,0,0,0,0|1,0,1]=4 500 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [1,1,0,0,0,0|2,0,0]=4 501 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [1,1,0,0,0,0|2,0,0]=4 502 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [1,1,0,0,0,0|2,0,0]=4 503 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [1,1,0,0,0,0|2,0,0]=4 504 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [1,1,0,0,0,0|2,0,0]=4 505 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [1,1,0,0,0,0|1,0,0]=3 506 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [1,1,0,0,0,0|1,0,0]=3 507 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [1,1,0,0,0,0|1,0,1]=4 508 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [1,1,0,0,0,0|1,0,0]=3 509 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [1,1,0,0,0,0|1,0,1]=4 510 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [1,1,0,0,0,0|1,0,1]=4 511 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [1,1,0,0,0,0|1,0,1]=4 513 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [1,1,0,0,0,0|1,0,0]=3 514 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,1,0,0,0,0|0,0,0]=2 515 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|1,0,1]=4 516 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [1,1,0,0,0,0|1,0,1]=4 518 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [1,1,0,0,0,0|1,0,1]=4 519 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|0,0,1]=3 520 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|0,0,1]=3 521 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [1,1,0,0,0,0|0,0,2]=4 522 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 523 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 524 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|0,0,1]=3 525 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [1,1,0,0,0,0|1,0,1]=4 526 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|2,0,0]=4 527 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [1,1,0,0,0,0|2,0,0]=4 528 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [1,1,0,0,0,0|2,0,0]=4 529 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [1,1,0,0,0,0|1,0,0]=3 530 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [1,1,0,0,0,0|2,0,0]=4 531 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [1,1,0,0,0,0|2,0,0]=4 532 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [1,1,0,0,0,0|2,0,0]=4 533 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [1,1,0,0,0,0|2,0,0]=4 534 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|1,0,1]=4 535 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|2,0,0]=4 536 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|2,0,0]=4 537 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|2,0,0]=4 538 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,1]=4 539 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [1,1,0,0,0,0|1,0,0]=3 540 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,1,0,0,0,0|1,0,1]=4 541 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,1,0,0,0,0|1,0,1]=4 542 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,1,0,0,0,0|1,0,1]=4 543 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [1,1,0,0,0,0|2,0,0]=4 544 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [1,1,0,0,0,0|2,0,0]=4 545 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [1,1,0,0,0,0|2,0,0]=4 546 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,1,0,0,0,0|1,0,1]=4 547 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|0,0,1]=3 548 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|0,0,1]=3 549 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,1,0,0,0,0|1,0,0]=3 550 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,1,0,0,0,0|1,0,0]=3 551 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|1,0,1]=4 552 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|1,0,1]=4 553 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|1,0,1]=4 554 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 555 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [1,1,0,0,0,0|1,0,1]=4 556 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|1,0,1]=4 557 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|0,0,2]=4 558 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|1,0,1]=4 559 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [1,1,0,0,0,0|1,0,1]=4 560 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|1,0,0]=3 561 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [1,1,0,0,0,0|2,0,0]=4 562 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [1,1,0,0,0,0|2,0,0]=4 563 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|1,0,0]=3 564 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [1,1,0,0,0,0|2,0,0]=4 565 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,1,0,0,0,0|1,0,0]=3 566 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,1,0,0,0,0|1,0,1]=4 567 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,1,0,0,0,0|2,0,0]=4 568 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|2,0,0]=4 569 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|2,0,0]=4 570 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,1,0,0,0,0|2,0,0]=4 571 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,1,0,0,0,0|2,0,0]=4 572 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,1,0,0,0,0|1,0,1]=4 573 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,1,0,0,0,0|2,0,0]=4 574 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,1,0,0,0,0|2,0,0]=4 575 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|1,0,1]=4 576 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,1,0,0,0,0|2,0,0]=4 577 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 578 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|1,0,1]=4 579 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|1,0,1]=4 580 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|1,0,1]=4 581 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|1,0,1]=4 582 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|0,0,1]=3 583 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|2,0,0]=4 584 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|0,1,1]=4 585 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,1,0,0,0,0|2,0,0]=4 586 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 587 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [1,1,0,0,0,0|1,0,1]=4 588 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [1,1,0,0,0,0|1,0,1]=4 589 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|1,0,1]=4 591 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,1,0,0,0,0|2,0,0]=4 592 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,1,0,0,0,0|2,0,0]=4 593 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,1,0,0,0,0|2,0,0]=4 594 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,1,0,0,0,0|2,0,0]=4 595 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|1,0,1]=4 596 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,1]=4 597 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|0,0,1]=3 598 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,1,0,0,0,0|1,0,1]=4 599 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,1,0,0,0,0|0,0,1]=3 600 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,1,0,0,0,0|0,0,0]=2 601 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [1,1,0,0,0,0|1,0,1]=4 602 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,1,0,0,0,0|2,0,0]=4 603 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [1,1,0,0,0,0|2,0,0]=4 604 B8R0.8 C=CCNC(F)C(=O)N 2230a_100020586998_100009813875 [1,1,0,0,0,0|2,0,0]=4 605 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,1,0,0,0,0|1,0,0]=3 606 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [1,1,0,0,0,0|2,0,0]=4 607 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [1,1,0,0,0,0|2,0,0]=4 608 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,1,0,0,0,0|1,0,1]=4 609 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,1,0,0,0,0|2,0,0]=4 610 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,1,0,0,0,0|2,0,0]=4 611 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,1,0,0,0,0|2,0,0]=4 612 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,1,0,0,0,0|1,0,1]=4 613 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,1,0,0,0,0|1,0,1]=4 614 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,1,0,0,0,0|2,0,0]=4 615 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,1,0,0,0,0|2,0,0]=4 616 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,1]=4 617 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 618 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 619 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,1,0,0,0,0|1,0,0]=3 620 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,1,0,0,0,0|1,0,0]=3 621 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,1,0,0,0,0|1,0,1]=4 622 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,1,0,0,0,0|1,0,1]=4 623 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,1,0,0,0,0|2,0,0]=4 624 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,1,0,0,0,0|2,0,0]=4 625 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [1,1,0,0,0,0|1,0,1]=4 626 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,1,0,0,0,0|0,0,0]=2 627 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|1,0,1]=4 628 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|0,0,1]=3 629 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,1,0,0,0,0|1,0,1]=4 630 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [1,1,0,0,0,0|1,0,1]=4 631 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [1,1,0,0,0,0|1,0,1]=4 632 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [1,1,0,0,0,0|2,0,0]=4 633 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [1,1,0,0,0,0|2,0,0]=4 634 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [1,1,0,0,0,0|0,0,2]=4 635 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [1,1,0,0,0,0|1,0,1]=4 636 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [1,1,0,0,0,0|1,0,1]=4 637 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [1,1,0,0,0,0|1,0,1]=4 638 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [1,1,0,0,0,0|1,0,0]=3 639 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [1,1,0,0,0,0|1,0,1]=4 640 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [1,1,0,0,0,0|1,0,1]=4 641 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,1]=4 642 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|2,0,0]=4 643 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [1,1,0,0,0,0|1,0,1]=4 644 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|0,0,1]=3 645 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [1,1,0,0,0,0|1,0,1]=4 646 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,1,0|2,0,0]=4 647 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,1,0,0,1,0|2,0,0]=4 648 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,1,0,0,1,0|2,0,0]=4 649 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,1,0,0,1,0|2,0,0]=4 650 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,1,0|2,0,0]=4 651 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,1,0|2,0,0]=4 652 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,0,0,1,0|2,0,0]=4 653 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,0,0,1,0|2,0,0]=4 654 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,0,0,1,0|2,0,0]=4 655 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,1,0|2,0,0]=4 656 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,1,0,0,1,0|2,0,0]=4 657 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,1,0,0,0,1|1,0,1]=4 658 B10R0.15 CC(C)(O)CNOCC(=O)O 269956a_100000106656_100000764493 [0,1,0,0,0,1|1,0,1]=4 659 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [0,1,0,0,0,1|1,0,1]=4 660 B10R0.15 NS(=O)(=O)CNOCC(=O)O 269956a_100000106656_100000741382 [0,1,0,0,0,1|1,0,1]=4 661 B10R0.15 O=C(O)CNCCS(=O)(=O)[O-] 269956a_100016091260_100000762736 [0,1,0,0,0,1|1,0,1]=4 662 B10R0.15 O=C(O)CONCS(=O)(=O)[O-] 269956a_100000106656_100009817235 [0,1,0,0,0,1|1,0,1]=4 663 B10R0.55 C=C(C#N)CNOCC(=O)O 269956a_100000106656_100000694840 [0,1,0,0,0,1|2,0,0]=4 664 B10R0.55 C=CC(O)CNOCC(=O)O 269956a_100000106656_100000730141 [0,1,0,0,0,1|1,0,1]=4 665 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,1|2,0,0]=4 666 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,0,0,0,1|2,0,0]=4 667 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,0,0,0,1|2,0,0]=4 668 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,1,0,0,0,1|1,0,0]=3 669 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,1,0,0,0,1|1,0,1]=4 670 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [0,1,0,0,0,1|2,0,0]=4 671 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [0,1,0,0,0,1|2,0,0]=4 672 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [0,1,0,0,0,1|2,0,0]=4 673 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,1,0,0,0,1|1,0,0]=3 674 B10R0.55 CNC(=O)CCNCC(=O)[O-] 34a_100000738227_100020667443 [0,1,0,0,0,1|1,0,1]=4 675 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [0,1,0,0,0,1|2,0,0]=4 676 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [0,1,0,0,0,1|1,0,0]=3 677 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,1|2,0,0]=4 678 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,1|2,0,0]=4 679 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,1|2,0,0]=4 680 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,1,0,0,0,1|2,0,0]=4 681 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,1,0,0,0,1|1,0,0]=3 682 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,1,0,0,0,1|0,0,0]=2 683 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,1|1,0,1]=4 684 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,1|1,0,1]=4 685 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,1,0,0,0,1|2,0,0]=4 686 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,1,0,0,0,1|2,0,0]=4 687 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,1,0,0,0,1|2,0,0]=4 688 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,1,0,0,0,1|1,0,1]=4 689 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,1,0,0,0,1|1,0,1]=4 690 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,1,0,0,0,1|2,0,0]=4 691 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,1|1,0,1]=4 692 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,1,0,0,0,1|0,0,0]=2 693 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,1,0,0,0,1|2,0,0]=4 694 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,1,0,0,0,1|2,0,0]=4 695 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,1,0,0,0,1|2,0,0]=4 696 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,1,0,0,0,1|2,0,0]=4 697 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,1,0,0,0,1|2,0,0]=4 698 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,1,0,0,0,1|2,0,0]=4 699 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,1,0,0,0,1|2,0,0]=4 700 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,1,0,0,0,1|2,0,0]=4 701 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,1,0,0,0,1|2,0,0]=4 702 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,1,0,0,0,1|2,0,0]=4 703 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,1,0,0,0,1|2,0,0]=4 704 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,1,0,0,0,1|2,0,0]=4 705 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,1,0,0,0,1|2,0,0]=4 706 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [0,1,0,0,0,1|2,0,0]=4 707 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [0,1,0,0,0,1|1,0,1]=4 708 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,1,0,0,0,1|1,0,1]=4 709 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [0,1,0,0,0,1|2,0,0]=4 710 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [0,1,0,0,0,1|2,0,0]=4 711 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [0,1,0,0,0,1|2,0,0]=4 712 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,1,0,0,0,1|0,0,2]=4 713 B10R0.55 O=C(O)CONC[C@@H](O)CF 269956a_100000106656_100015614560 [0,1,0,0,0,1|1,0,1]=4 714 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,1,0,0,0,1|0,0,2]=4 715 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,1,0,0,0,1|2,0,0]=4 716 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,0,1|2,0,0]=4 717 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,0,1|1,0,0]=3 718 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,1,0,0,0,1|1,0,0]=3 719 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,1,0,0,0,1|1,0,0]=3 720 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,1,0,0,0,1|1,0,1]=4 721 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [0,1,0,0,0,1|2,0,0]=4 722 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [0,1,0,0,0,1|2,0,0]=4 723 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,1,0,0,0,1|1,0,0]=3 724 B10R0.96 NC(=O)CNC(=O)CC(=O)N 240690a_100000711301_100134613110 [0,1,0,0,0,1|2,0,0]=4 725 B10R0.96 NC(=O)CNC(=O)CC(=O)N 527a_100000711301_100134613110 [0,1,0,0,0,1|2,0,0]=4 726 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,1|2,0,0]=4 727 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,1|2,0,0]=4 728 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,1,0,0,0,1|2,0,0]=4 729 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,1,0,0,0,1|2,0,0]=4 730 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,1,0,0,0,1|2,0,0]=4 731 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,1|2,0,0]=4 732 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,1,0,0,0,1|1,0,0]=3 733 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [0,1,0,0,0,1|1,0,0]=3 734 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,1|1,0,0]=3 735 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,1,0,0,0,1|1,0,0]=3 736 B10R0.98 CC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100009813279 [0,1,0,0,0,1|2,0,0]=4 737 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,1|1,0,0]=3 738 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,1|0,0,1]=3 739 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,1|1,0,1]=4 740 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,1,0,0,0,1|1,0,1]=4 741 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,1|1,0,1]=4 742 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,1|1,0,1]=4 743 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,1|1,0,1]=4 744 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,1,0,0,0,1|2,0,0]=4 745 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,1,0,0,0,1|2,0,0]=4 746 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,1|1,0,1]=4 747 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,1|1,0,0]=3 748 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,1|1,0,0]=3 749 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,1,0,0,0,1|1,0,1]=4 750 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,0,1|0,0,1]=3 751 B10R0.3 C=COC(=O)CNCC(=O)N 2230a_100000711301_100000036128 [0,2,0,0,0,0|1,0,0]=3 752 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,2,0,0,0,0|0,0,0]=2 753 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,2,0,0,0,0|1,0,1]=4 754 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,2,0,0,0,0|1,0,1]=4 755 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,2,0,0,0,0|2,0,0]=4 756 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000036128_100000747473 [0,2,0,0,0,0|2,0,0]=4 757 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000747473_100000036128 [0,2,0,0,0,0|2,0,0]=4 758 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100000036128_100020667443 [0,2,0,0,0,0|1,0,1]=4 759 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100020667443_100000036128 [0,2,0,0,0,0|1,0,1]=4 760 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|2,0,0]=4 761 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,2,0,0,0,0|2,0,0]=4 762 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,2,0,0,0,0|1,0,1]=4 763 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,2,0,0,0,0|1,0,1]=4 764 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,2,0,0,0,0|2,0,0]=4 765 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,2,0,0,0,0|1,0,0]=3 766 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,2,0,0,0,0|2,0,0]=4 767 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,2,0,0,0,0|2,0,0]=4 768 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,2,0,0,0,0|1,0,0]=3 769 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|2,0,0]=4 770 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|2,0,0]=4 771 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|2,0,0]=4 772 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,2,0,0,0,0|1,0,0]=3 773 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,2,0,0,0,0|0,0,0]=2 774 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 775 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 776 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|2,0,0]=4 777 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,2,0,0,0,0|2,0,0]=4 778 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,2,0,0,0,0|2,0,0]=4 779 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,2,0,0,0,0|1,0,1]=4 780 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,2,0,0,0,0|1,0,1]=4 781 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|2,0,0]=4 782 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|2,0,0]=4 783 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,2,0,0,0,0|0,0,2]=4 784 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,2,0,0,0,0|1,0,1]=4 785 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,2,0,0,0,0|2,0,0]=4 786 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [0,2,0,0,0,0|1,0,0]=3 787 B10R0.3 NC(=O)COCC(=O)CCO 1458a_100011219004_100000211926 [0,2,0,0,0,0|2,0,0]=4 788 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [0,2,0,0,0,0|2,0,0]=4 789 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [0,2,0,0,0,0|2,0,0]=4 790 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,2,0,0,0,0|0,0,0]=2 791 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [0,2,0,0,0,0|1,0,1]=4 792 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [0,2,0,0,0,0|1,0,1]=4 793 B10R0.44 C=C(C#N)CN(C)CC(=O)O 269956a_100000746989_100000694840 [0,2,0,0,0,0|2,0,0]=4 794 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000198492_100000748629 [0,2,0,0,0,0|2,0,0]=4 795 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000225649_100000747449 [0,2,0,0,0,0|2,0,0]=4 796 B10R0.44 C=C(C)CN(C)CC(=O)OC 269982a_100000225649_100000747449 [0,2,0,0,0,0|2,0,0]=4 797 B10R0.44 C=C(F)CN(C)CC(=O)OC 2230a_100000198492_100009893438 [0,2,0,0,0,0|2,0,0]=4 798 B10R0.44 C=CC(O)CN(C)CC(=O)O 269956a_100000746989_100000730141 [0,2,0,0,0,0|1,0,1]=4 799 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,2,0,0,0,0|1,0,0]=3 800 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,2,0,0,0,0|1,0,1]=4 801 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,2,0,0,0,0|0,0,2]=4 802 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,2,0,0,0,0|1,0,1]=4 803 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,2,0,0,0,0|0,0,2]=4 804 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000189611_100000747473 [0,2,0,0,0,0|2,0,0]=4 805 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183359 [0,2,0,0,0,0|2,0,0]=4 806 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,2,0,0,0,0|1,0,0]=3 807 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,2,0,0,0,0|2,0,0]=4 808 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,2,0,0,0,0|2,0,0]=4 809 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,2,0,0,0,0|1,0,1]=4 810 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,2,0,0,0,0|2,0,0]=4 811 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,2,0,0,0,0|2,0,0]=4 812 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000198492_100000747473 [0,2,0,0,0,0|1,0,0]=3 813 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747449 [0,2,0,0,0,0|1,0,0]=3 814 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,2,0,0,0,0|0,0,0]=2 815 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,2,0,0,0,0|1,0,1]=4 816 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,2,0,0,0,0|1,0,1]=4 817 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,2,0,0,0,0|1,0,1]=4 818 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,2,0,0,0,0|1,0,1]=4 819 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,2,0,0,0,0|1,0,1]=4 820 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,2,0,0,0,0|2,0,0]=4 821 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,2,0,0,0,0|1,0,0]=3 822 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,2,0,0,0,0|2,0,0]=4 823 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,2,0,0,0,0|1,0,0]=3 824 B10R0.57 CNC(=O)C(F)NCC(=O)N 2230a_100000711301_100009813575 [0,2,0,0,0,0|2,0,0]=4 825 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,2,0,0,0,0|2,0,0]=4 826 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,2,0,0,0,0|2,0,0]=4 827 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [0,2,0,0,0,0|1,0,1]=4 828 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,2,0,0,0,0|1,0,1]=4 829 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,2,0,0,0,0|1,0,1]=4 830 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,2,0,0,0,0|1,0,1]=4 831 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|2,0,0]=4 832 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,2,0,0,0,0|1,0,0]=3 833 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|1,0,1]=4 834 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|1,0,1]=4 835 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,2,0,0,0,0|2,0,0]=4 836 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,2,0,0,0,0|2,0,0]=4 837 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,2,0,0,0,0|1,0,1]=4 838 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,2,0,0,0,0|2,0,0]=4 839 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,2,0,0,0,0|2,0,0]=4 840 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,2,0,0,0,0|1,0,1]=4 841 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,2,0,0,0,0|1,0,1]=4 842 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,2,0,0,0,0|2,0,0]=4 843 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,2,0,0,0,0|2,0,0]=4 844 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|2,0,0]=4 845 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|2,0,0]=4 846 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|2,0,0]=4 847 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|2,0,0]=4 848 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|2,0,0]=4 849 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|2,0,0]=4 850 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,1]=4 851 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|2,0,0]=4 852 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|2,0,0]=4 853 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|2,0,0]=4 854 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|2,0,0]=4 855 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|2,0,0]=4 856 B10R0.59 CNC(=O)CNCC(=O)NC 2230a_100000693194_100000183359 [0,2,0,0,0,0|2,0,0]=4 857 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,2,0,0,0,0|1,0,0]=3 858 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,2,0,0,0,0|2,0,0]=4 859 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,2,0,0,0,0|2,0,0]=4 860 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,2,0,0,0,0|2,0,0]=4 861 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,2,0,0,0,0|2,0,0]=4 862 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,2,0,0,0,0|2,0,0]=4 863 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,2,0,0,0,0|2,0,0]=4 864 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|2,0,0]=4 865 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,0]=3 866 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,2,0,0,0,0|2,0,0]=4 867 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,1]=4 868 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|1,0,1]=4 869 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|1,0,1]=4 870 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|0,0,2]=4 871 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,2,0,0,0,0|2,0,0]=4 872 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,2,0,0,0,0|1,0,0]=3 873 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|1,0,1]=4 874 B10R0.65 CC(C)(CO)CNCC(=O)O 269956a_100016091260_100009813988 [0,2,0,0,0,0|1,0,1]=4 875 B10R0.65 COC(C)(C)CNCC(=O)O 269956a_100016091260_100000701081 [0,2,0,0,0,0|1,0,1]=4 876 B10R0.77 COC(CNCC(=O)O)OC 269956a_100016091260_100000751394 [0,2,0,0,0,0|0,0,2]=4 877 B10R0.82 C=C(C#N)CN[C@@H](C)C(=O)O 269956a_100000743915_100000694840 [0,2,0,0,0,0|2,0,0]=4 878 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,2,0,0,0,0|1,0,1]=4 879 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,2,0,0,0,0|1,0,0]=3 880 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|1,0,1]=4 881 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,2,0,0,0,0|2,0,0]=4 882 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,2,0,0,0,0|2,0,0]=4 883 B10R0.82 CNC(=O)CNC(F)C(=O)N 2230a_100000693194_100009813875 [0,2,0,0,0,0|2,0,0]=4 884 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,2,0,0,0,0|1,0,0]=3 885 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,2,0,0,0,0|2,0,0]=4 886 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,2,0,0,0,0|2,0,0]=4 887 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,2,0,0,0,0|0,0,0]=2 888 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,2,0,0,0,0|1,0,0]=3 889 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,2,0,0,0,0|1,0,0]=3 890 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,2,0,0,0,0|2,0,0]=4 891 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,2,0,0,0,0|1,0,1]=4 892 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,2,0,0,0,0|2,0,0]=4 893 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,2,0,0,0,0|2,0,0]=4 894 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,2,0,0,0,0|2,0,0]=4 895 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,2,0,0,0,0|2,0,0]=4 896 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,2,0,0,0,0|2,0,0]=4 897 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,2,0,0,0,0|2,0,0]=4 898 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100000747449_100009813875 [0,2,0,0,0,0|2,0,0]=4 899 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100009813875_100000747449 [0,2,0,0,0,0|2,0,0]=4 900 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100000747449_100020610796 [0,2,0,0,0,0|1,0,1]=4 901 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747449 [0,2,0,0,0,0|1,0,1]=4 902 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,2,0,0,0,0|1,0,1]=4 903 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|0,0,2]=4 904 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|1,0,1]=4 905 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,2,0,0,0,0|0,0,2]=4 906 B10R0.13 C=C(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748629 [0,2,0,0,0,0|2,0,0]=4 907 B10R0.13 C=C(F)CN(C)C(C)C(=O)O 269956a_100000749554_100000042424 [0,2,0,0,0,0|2,0,0]=4 908 B10R0.13 CC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100009814033 [0,2,0,0,0,0|2,0,0]=4 909 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,2,0,0,0,0|1,0,0]=3 910 B10R0.13 CC(C(=O)N)N(C)CC(=O)N 2230a_100000739694_100000702099 [0,2,0,0,0,0|2,0,0]=4 911 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,2,0,0,0,0|1,0,0]=3 912 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,2,0,0,0,0|0,0,1]=3 913 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,2,0,0,0,0|1,0,1]=4 914 B10R0.13 CC(C(=O)O)N(C)C[N+](=O)[O-] 269956a_100000749554_100000761209 [0,2,0,0,0,0|1,0,1]=4 915 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,2,0,0,0,0|1,0,1]=4 916 B10R0.13 CN(CC(=O)N)C(F)C(=O)N 2230a_100000739694_100009813875 [0,2,0,0,0,0|2,0,0]=4 917 B10R0.43 CC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000075568 [0,2,0,0,0,0|1,0,0]=3 918 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000711301_100000702505 [0,2,0,0,0,0|2,0,0]=4 919 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000743658_100000747473 [0,2,0,0,0,0|2,0,0]=4 920 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 34a_100000743658_100000187820 [0,2,0,0,0,0|2,0,0]=4 921 B10R0.43 CC(C)(NCC(=O)O)[N+](=O)[O-] 269956a_100016091260_200009813997 [0,2,0,0,0,0|1,0,1]=4 922 B10R0.43 CC(C)(NCC(=O)[O-])C(=O)N 34a_100000743658_100020667443 [0,2,0,0,0,0|1,0,1]=4 923 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,2,0,0,0,0|2,0,0]=4 924 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,2,0,0,0,0|2,0,0]=4 925 B10R0.84 C=C(F)CNC(CO)C(=O)O 269956a_100000187304_100000042424 [0,2,0,0,0,0|2,0,0]=4 926 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [0,2,0,0,0,0|2,0,0]=4 927 B10R0.84 C=C[C@H](NCC(=C)C)C(=O)O 269956a_100016992060_100000748629 [0,2,0,0,0,0|2,0,0]=4 928 B10R0.84 C=C[C@H](NCC(=C)F)C(=O)O 269956a_100016992060_100000042424 [0,2,0,0,0,0|2,0,0]=4 929 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,2,0,0,0,0|1,0,0]=3 930 B10R0.84 C=C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016992060_100020667443 [0,2,0,0,0,0|0,0,1]=3 931 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,2,0,0,0,0|1,0,1]=4 932 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,2,0,0,0,0|1,0,1]=4 933 B10R0.84 C=C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100016992060_100000761209 [0,2,0,0,0,0|1,0,1]=4 934 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,2,0,0,0,0|1,0,1]=4 935 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,2,0,0,0,0|2,0,0]=4 936 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,2,0,0,0,0|2,0,0]=4 937 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,2,0,0,0,0|2,0,0]=4 938 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,2,0,0,0,0|1,0,0]=3 939 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,2,0,0,0,0|1,0,1]=4 940 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,2,0,0,0,0|1,0,0]=3 941 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,2,0,0,0,0|0,0,1]=3 942 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,2,0,0,0,0|1,0,1]=4 943 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,2,0,0,0,0|1,0,1]=4 944 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [0,2,0,0,0,0|1,0,1]=4 945 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,2,0,0,0,0|1,0,1]=4 946 B10R0.84 N#CC(NCC(=O)N)C(=O)N 2230a_100000039599_100000747473 [0,2,0,0,0,0|2,0,0]=4 947 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,2,0,0,0,0|1,0,0]=3 948 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747473 [0,2,0,0,0,0|2,0,0]=4 949 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000187820 [0,2,0,0,0,0|2,0,0]=4 950 B10R0.84 NC(=O)[C@H](CO)NCC(=O)[O-] 34a_100000729942_100020667443 [0,2,0,0,0,0|1,0,1]=4 951 B10R0.84 O=C(O)C(CO)NC[N+](=O)[O-] 269956a_100000187304_100000761209 [0,2,0,0,0,0|1,0,1]=4 952 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,2,0,0,0,0|0,0,1]=3 953 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,2,0,0,0,0|1,0,1]=4 954 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,2,0,0,0,0|1,0,1]=4 955 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,2,0,0,0,0|1,0,1]=4 956 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,2,0,0,0,0|1,0,0]=3 957 B10R0.93 CC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100009814033 [0,2,0,0,0,0|2,0,0]=4 958 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 2230a_100000119354_100000702099 [0,2,0,0,0,0|2,0,0]=4 959 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 34a_100000119354_100000702099 [0,2,0,0,0,0|2,0,0]=4 960 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 2230a_100000119354_100009813875 [0,2,0,0,0,0|2,0,0]=4 961 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 34a_100000119354_100009813875 [0,2,0,0,0,0|2,0,0]=4 962 B10R0.93 C[C@@H](NC(F)C(=O)[O-])C(=O)N 34a_100000119354_100020610796 [0,2,0,0,0,0|1,0,1]=4 963 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,2,0,0,0,0|1,0,1]=4 964 B10R0.31 CN(CC(=O)O)CS(=O)(=O)N 269956a_100000746989_100000741382 [0,2,0,0,0,0|1,0,1]=4 965 B10R0.31 CN(CC(=O)O)CS(=O)(=O)[O-] 269956a_100000746989_100009817235 [0,2,0,0,0,0|1,0,1]=4 966 B10R0.70 C=C(C)CN(CC)CC(=O)O 269956a_100000746405_100000748629 [0,2,0,0,0,0|2,0,0]=4 967 B10R0.70 C=C(F)CN(CC)CC(=O)O 269956a_100000746405_100000042424 [0,2,0,0,0,0|2,0,0]=4 968 B10R0.70 CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210202 [0,2,0,0,0,0|2,0,0]=4 969 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [0,2,0,0,0,0|1,0,0]=3 970 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [0,2,0,0,0,0|1,0,1]=4 971 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [0,2,0,0,0,0|1,0,1]=4 972 B10R0.70 CCN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746405_100000761209 [0,2,0,0,0,0|1,0,1]=4 973 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [0,2,0,0,0,0|0,0,1]=3 974 B10R0.70 NC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000187820 [0,2,0,0,0,0|1,0,1]=4 975 B10R0.70 O=C([O-])CN(CO)CC(=O)[O-] 269956a_100016989150_100020667443 [0,2,0,0,0,0|0,0,2]=4 976 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [1,0,0,1,0,0|1,0,1]=4 977 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|2,0,0]=4 978 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,1]=4 979 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,1,0|2,0,0]=4 980 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,1,0|2,0,0]=4 981 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,1|2,0,0]=4 982 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,1|2,0,0]=4 983 B10R1.54 NC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747473 [0,0,0,1,0,1|2,0,0]=4 984 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,0,0,1,0,1|1,0,0]=3 985 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,0,1,0,1|1,0,1]=4 986 B10R1.126 O=C(O)CONCC1CO1 269956a_100000106656_102125554688 [0,0,0,1,0,1|1,0,1]=4 987 B10R1.126 O=C(O)CONC[C@@H]1CO1 269956a_100000106656_100000745022 [0,0,0,1,0,1|1,0,1]=4 988 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|2,0,0]=4 989 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,1,0,0|2,0,0]=4 990 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,1,0,0|2,0,0]=4 991 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,1,0,0|2,0,0]=4 992 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,1,0,0|2,0,0]=4 993 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,1,0,0|2,0,0]=4 994 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,1,0,1,0,0|1,0,0]=3 995 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,1,0,1,0,0|1,0,1]=4 996 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,1,0,1,0,0|1,0,1]=4 997 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,1,0,1,0,0|1,0,1]=4 998 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,1,0,1,0,0|2,0,0]=4 999 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,1,0,1,0,0|1,0,1]=4 1000 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|2,0,0]=4 1001 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|2,0,0]=4 1002 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|1,0,1]=4 1003 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,1,0,1,0,0|1,0,1]=4 1004 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|1,0,1]=4 1005 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|1,0,1]=4 1006 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,1,0,1,0,0|1,0,1]=4 1007 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,1,0,1,0,0|1,0,1]=4 1008 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,2,0|2,0,0]=4 1009 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,2,0|2,0,0]=4 1010 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,2,0|1,0,1]=4 1011 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,2,0|2,0,0]=4 1012 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,0,0,0,0,2|2,0,0]=4 1013 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,0,2|2,0,0]=4 1014 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [0,0,0,0,0,2|2,0,0]=4 1015 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,0,2|1,0,0]=3 1016 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,0,2|1,0,0]=3 1017 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,0,0,0,0,2|2,0,0]=4 1018 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,0,0,0,0,2|2,0,0]=4 1019 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,0,2|1,0,0]=3 1020 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,0,2|1,0,0]=3 1021 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,0,0,0,0,2|1,0,0]=3 1022 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,0,0,0,0,2|1,0,1]=4 1023 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,0,0,0,0,2|1,0,1]=4 1024 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [0,0,0,0,0,2|2,0,0]=4 1025 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,0,2|1,0,0]=3 1026 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [0,0,0,0,0,2|1,0,1]=4 1027 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,0,0,0,0,2|1,0,0]=3 1028 B10R0.97 NC(=O)CNCCNC(=O)N 2230a_100000711301_200000034859 [0,0,0,0,0,2|2,0,0]=4 1029 B10R0.97 NC(=O)CNCCNC(=O)N 34a_100020590234_100000187820 [0,0,0,0,0,2|2,0,0]=4 1030 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,0,0,0,2|1,0,0]=3 1031 B10R0.97 NC(=O)NCCNCC(=O)[O-] 34a_100020590234_100020667443 [0,0,0,0,0,2|1,0,1]=4 1032 B10R0.97 O=C(O)CNC/C=C/B(O)O 269956a_100016091260_100016262062 [0,0,0,0,0,2|1,0,1]=4 1033 B10R0.97 O=C(O)CNCCC=C(F)F 269956a_100016091260_200009816681 [0,0,0,0,0,2|2,0,0]=4