0 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100009813875_100020667443 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813875 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [0,0,0,0,0,0|2,0,1]=3 42 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020610796_100020667443 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020667443_100020610796 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [1,0,0,0,0,0|3,0,0]=4 63 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|2,0,0]=3 87 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|2,0,0]=3 89 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,0|2,0,0]=3 91 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|2,0,0]=3 94 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|2,0,0]=3 95 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|3,0,0]=4 97 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,0|2,0,0]=3 110 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|1,0,0]=2 111 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [1,0,0,0,0,0|1,0,1]=3 113 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [1,0,0,0,0,0|1,0,1]=3 114 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [1,0,0,0,0,0|2,0,1]=4 115 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|2,0,0]=3 117 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [1,0,0,0,0,0|2,0,1]=4 118 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,0,0,0,0,0|2,0,1]=4 119 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,0|2,0,0]=3 122 B10R0.13 CC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100000179758 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.13 CC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100009814033 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.13 CC(C(=O)N)C(=O)CC(=O)N 1458a_100134613110_100000702099 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.13 CC(C(=O)N)N(C)CC(=O)N 2230a_100000739694_100000702099 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,0,0|2,0,0]=3 127 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.13 CN(CC(=O)N)C(F)C(=O)N 2230a_100000739694_100009813875 [0,1,0,0,0,0|3,0,0]=4 129 B10R0.13 NC(=O)CC(=O)C(F)C(=O)N 1458a_100134613110_100009813875 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.13 NC(=O)CC(=O)C(F)C(=O)[O-] 1458a_100134613110_100020610796 [0,1,0,0,0,0|1,0,2]=4 131 B10R0.43 CC(=O)C(C)(C)OCC(=O)N 34a_100000747739_100000187820 [0,1,0,0,0,0|3,0,0]=4 132 B10R0.43 CC(=O)C(C)(C)OCC(=O)N 7a_100000747739_100000187820 [0,1,0,0,0,0|3,0,0]=4 133 B10R0.43 CC(=O)C(C)(C)SCC(=O)N 62a_100000075568_100000747473 [0,1,0,0,0,0|3,0,0]=4 134 B10R0.43 CC(=O)C(C)(C)SCC(=O)N 62a_100000747473_100000075568 [0,1,0,0,0,0|3,0,0]=4 135 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000711301_100000702505 [0,1,0,0,0,0|3,0,0]=4 136 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000743658_100000747473 [0,1,0,0,0,0|3,0,0]=4 137 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 34a_100000743658_100000187820 [0,1,0,0,0,0|3,0,0]=4 138 B10R0.43 CC(C)(OCC(=O)N)C(=O)N 34a_100011626353_100000187820 [0,1,0,0,0,0|3,0,0]=4 139 B10R0.43 CC(C)(OCC(=O)N)C(=O)N 7a_100011626353_100000187820 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.43 CC(C)(SCC(=O)N)C(=O)N 62a_100000702505_100000747473 [0,1,0,0,0,0|3,0,0]=4 141 B10R0.43 CC(C)(SCC(=O)N)C(=O)N 62a_100000747473_100000702505 [0,1,0,0,0,0|3,0,0]=4 142 B10R0.43 NC(=O)CSC(F)(F)C(=O)N 62a_100000747473_100009811971 [0,1,0,0,0,0|3,0,0]=4 143 B10R0.43 NC(=O)CSC(F)(F)C(=O)N 62a_100009811971_100000747473 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.43 NC(=O)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000747473 [0,1,0,0,0,0|2,0,1]=4 145 B10R0.43 NC(=O)CSC(F)(F)C(=O)[O-] 62a_100000747473_100000745680 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.57 C=CC(=O)N(C)CCC(=O)N 240690a_100000730477_200121576911 [0,1,0,0,0,0|3,0,0]=4 147 B10R0.57 CC(OCC(=O)N)C(=O)NN 34a_100000725659_100000187820 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 154 B10R0.57 CN(CCC(=O)N)C(=O)CO 240690a_100000730477_100000210174 [0,1,0,0,0,0|2,0,0]=3 155 B10R0.57 CN(CCC(=O)N)C(=O)CO 527a_100000730477_100000210174 [0,1,0,0,0,0|2,0,0]=3 156 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000209862_100000747473 [0,1,0,0,0,0|3,0,0]=4 158 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000747473_100000731044 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.57 CNC(=O)C(F)NCC(=O)N 2230a_100000711301_100009813575 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100000747473_100009813575 [0,1,0,0,0,0|3,0,0]=4 161 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100009813575_100000747473 [0,1,0,0,0,0|3,0,0]=4 162 B10R0.57 CNC(=O)N(C)CCC(=O)N 2708a_100102657272_100000730477 [0,1,0,0,0,0|3,0,0]=4 163 B10R0.57 CNC(=O)N(C)CCC(=O)N 273464a_100102657272_100000730477 [0,1,0,0,0,0|3,0,0]=4 164 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,1,0,0,0,0|3,0,0]=4 165 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,1,0,0,0,0|3,0,0]=4 166 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,1,0,0,0,0|2,0,1]=4 167 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,1,0,0,0,0|2,0,1]=4 168 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,1,0,0,0,0|2,0,1]=4 169 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,0|2,0,0]=3 170 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,1,0,0,0,0|2,0,0]=3 171 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,0|3,0,0]=4 172 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,1,0,0,0,0|2,0,0]=3 173 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,1,0,0,0,0|3,0,0]=4 174 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,1,0,0,0,0|2,0,0]=3 175 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,1,0,0,0,0|2,0,0]=3 176 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,1,0,0,0,0|3,0,0]=4 177 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,1,0,0,0,0|3,0,0]=4 178 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,0|3,0,0]=4 179 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,0|3,0,0]=4 180 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_100000750875_100015343762 [0,1,0,0,0,0|3,0,0]=4 181 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_106832991635_100011216537 [0,1,0,0,0,0|3,0,0]=4 182 B10R0.82 CNC(=O)CCN(C)C(=O)C 1626a_100102657272_100011216537 [0,1,0,0,0,0|3,0,0]=4 183 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100000750875_100015343762 [0,1,0,0,0,0|3,0,0]=4 184 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100102657272_100011216537 [0,1,0,0,0,0|3,0,0]=4 185 B10R0.82 CNC(=O)CCN(C)C(=O)C 527a_100000750875_100103153847 [0,1,0,0,0,0|3,0,0]=4 186 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,1,0,0,0,0|3,0,0]=4 187 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,1,0,0,0,0|3,0,0]=4 188 B10R0.82 CNC(=O)CNC(F)C(=O)N 2230a_100000693194_100009813875 [0,1,0,0,0,0|3,0,0]=4 189 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,0|2,0,0]=3 190 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,1,0,0,0,0|3,0,0]=4 191 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,1,0,0,0,0|3,0,0]=4 192 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,1,0,0,0,0|3,0,0]=4 193 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,1,0,0,0,0|3,0,0]=4 194 B10R0.82 CNC(=O)COC(F)C(=O)N 34a_100000750040_100009813875 [0,1,0,0,0,0|3,0,0]=4 195 B10R0.82 CNC(=O)COC(F)C(=O)[O-] 34a_100000750040_100020610796 [0,1,0,0,0,0|2,0,1]=4 196 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,1,0,0,0,0|2,0,1]=4 197 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,1,0,0,0,0|3,0,0]=4 198 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,1,0,0,0,0|3,0,0]=4 199 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,1,0,0,0,0|3,0,0]=4 200 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,1,0,0,0,0|3,0,0]=4 201 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,1,0,0,0,0|3,0,0]=4 202 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,1,0,0,0,0|3,0,0]=4 203 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100000183359_100009813875 [0,1,0,0,0,0|3,0,0]=4 204 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183359 [0,1,0,0,0,0|3,0,0]=4 205 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100000183359_100020610796 [0,1,0,0,0,0|2,0,1]=4 206 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183359 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,1,0,0,0,0|2,0,0]=3 209 B10R0.84 C=C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016992060_100020667443 [0,1,0,0,0,0|3,0,0]=4 210 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,0|2,0,1]=4 211 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,1,0,0,0,0|3,0,0]=4 212 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,1,0,0,0,0|3,0,0]=4 213 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,1,0,0,0,0|3,0,0]=4 214 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [0,1,0,0,0,0|3,0,0]=4 215 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [0,1,0,0,0,0|3,0,0]=4 216 B10R0.84 CCN(CCC(=O)N)C(=O)C 11a_100020645749_100015343762 [0,1,0,0,0,0|3,0,0]=4 217 B10R0.84 CCN(CCC(=O)N)C(=O)C 1626a_100020645749_100015343762 [0,1,0,0,0,0|3,0,0]=4 218 B10R0.84 CCN(CCC(=O)N)C(=O)C 240690a_100020645749_100015343762 [0,1,0,0,0,0|3,0,0]=4 219 B10R0.84 CCN(CCC(=O)N)C(=O)C 527a_100020645749_100103153847 [0,1,0,0,0,0|3,0,0]=4 220 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,1,0,0,0,0|2,0,0]=3 221 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,1,0,0,0,0|3,0,0]=4 222 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,1,0,0,0,0|1,0,0]=2 225 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,1,0,0,0,0|1,0,0]=2 226 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,0|2,0,0]=3 227 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B10R0.84 N#CC(NCC(=O)N)C(=O)N 2230a_100000039599_100000747473 [0,1,0,0,0,0|2,0,1]=4 230 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,1,0,0,0,0|2,0,0]=3 231 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747473 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,0|3,0,0]=4 233 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,1,0,0,0,0|3,0,0]=4 234 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,1,0,0,0,0|1,0,0]=2 235 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,1,0,0,0,0|1,0,0]=2 236 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,1,0,0,0,0|3,0,0]=4 237 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,0,0|3,0,0]=4 238 B10R0.93 CC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100009814033 [0,1,0,0,0,0|3,0,0]=4 239 B10R0.93 CC(=O)C(C)OC(C)C(=O)N 34a_100000212229_100000702099 [0,1,0,0,0,0|3,0,0]=4 240 B10R0.93 CC(=O)C(C)OC(F)C(=O)N 34a_100000212229_100009813875 [0,1,0,0,0,0|3,0,0]=4 241 B10R0.93 CC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000179758 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100009814033 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100009814033_100000702099 [0,1,0,0,0,0|3,0,0]=4 244 B10R0.93 CC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100009814033 [0,1,0,0,0,0|3,0,0]=4 245 B10R0.93 CC(=O)C(C)SC(F)C(=O)N 62a_100009814033_100009813875 [0,1,0,0,0,0|3,0,0]=4 246 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 2230a_100000119354_100000702099 [0,1,0,0,0,0|3,0,0]=4 247 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 34a_100000119354_100000702099 [0,1,0,0,0,0|3,0,0]=4 248 B10R0.93 CC(O[C@@H](C)C(=O)[O-])C(=O)N 7a_217856618621_100000702099 [0,1,0,0,0,0|2,0,1]=4 249 B10R0.93 CC(O[C@H](C)C(=O)N)C(=O)N 34a_100000731257_100000702099 [0,1,0,0,0,0|3,0,0]=4 250 B10R0.93 CC(O[C@H](C)C(=O)N)C(=O)N 7a_100000731257_100000702099 [0,1,0,0,0,0|3,0,0]=4 251 B10R0.93 CC(SC(C)C(=O)N)C(=O)N 62a_100000702099_100000702099 [0,1,0,0,0,0|3,0,0]=4 252 B10R0.93 CC(SC(F)C(=O)N)C(=O)N 62a_100000702099_100009813875 [0,1,0,0,0,0|3,0,0]=4 253 B10R0.93 CC(SC(F)C(=O)N)C(=O)N 62a_100009813875_100000702099 [0,1,0,0,0,0|3,0,0]=4 254 B10R0.93 CC(SC(F)C(=O)[O-])C(=O)N 62a_100000702099_100020610796 [0,1,0,0,0,0|2,0,1]=4 255 B10R0.93 CC(SC(F)C(=O)[O-])C(=O)N 62a_100020610796_100000702099 [0,1,0,0,0,0|2,0,1]=4 256 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 2230a_100000119354_100009813875 [0,1,0,0,0,0|3,0,0]=4 257 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 34a_100000119354_100009813875 [0,1,0,0,0,0|3,0,0]=4 258 B10R0.93 C[C@@H](NC(F)C(=O)[O-])C(=O)N 34a_100000119354_100020610796 [0,1,0,0,0,0|2,0,1]=4 259 B10R0.93 C[C@@H](OC(F)C(=O)N)C(=O)N 34a_100000731257_100009813875 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.93 C[C@@H](OC(F)C(=O)N)C(=O)N 7a_100000731257_100009813875 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.93 C[C@@H](OC(F)C(=O)[O-])C(=O)N 34a_100000731257_100020610796 [0,1,0,0,0,0|2,0,1]=4 262 B10R0.93 C[C@H](OC(F)C(=O)N)C(=O)[O-] 7a_217856618621_100009813875 [0,1,0,0,0,0|2,0,1]=4 263 B10R0.93 NC(=O)C(F)SC(F)C(=O)N 62a_100009813875_100009813875 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.93 NC(=O)C(F)SC(F)C(=O)[O-] 62a_100009813875_100020610796 [0,1,0,0,0,0|2,0,1]=4 265 B10R0.93 NC(=O)C(F)SC(F)C(=O)[O-] 62a_100020610796_100009813875 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,1,0,0|1,0,2]=4 267 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,0|2,0,0]=3 268 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,1,0,0|1,0,2]=4 269 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,0|2,0,0]=3 270 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|3,0,0]=4 271 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [0,0,0,1,0,0|3,0,0]=4 272 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [0,0,0,1,0,0|3,0,0]=4 273 B10R1.349 CC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100015343762 [0,0,0,1,0,0|3,0,0]=4 274 B10R1.349 CC(=O)N1CC(C1)C(=O)N 527a_100025753142_100103153847 [0,0,0,1,0,0|3,0,0]=4 275 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,1,0|3,0,0]=4 276 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,1,0|3,0,0]=4 277 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,1|3,0,0]=4 278 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,0,0,0,0,1|3,0,0]=4 279 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,0,0,0,0,1|3,0,0]=4 280 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [0,0,0,0,0,1|3,0,0]=4 281 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [0,0,0,0,0,1|3,0,0]=4 282 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,0,1|2,0,0]=3 283 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,0,0,0,0,1|2,0,1]=4 284 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,0,0,0,0,1|1,0,2]=4 285 B10R0.98 C=C(C)C(C)NCCC(=O)N 269862a_100000740010_100011216138 [0,0,0,0,0,1|3,0,0]=4 286 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,0,1|3,0,0]=4 287 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,0,1|3,0,0]=4 288 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,0,1|3,0,0]=4 289 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,0,0,0,0,1|3,0,0]=4 290 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,0,0,0,0,1|3,0,0]=4 291 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,0,0,0,0,1|3,0,0]=4 292 B10R0.98 C=C(F)COC[C@H](N)C(=O)N 34a_100000729942_100009893438 [0,0,0,0,0,1|3,0,0]=4 293 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,0,0,0,0,1|2,0,1]=4 294 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,0,0,0,0,1|2,0,1]=4 295 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [0,0,0,0,0,1|2,0,0]=3 296 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [0,0,0,0,0,1|2,0,0]=3 297 B10R0.98 CC(=O)C(C)COCC(=O)[O-] 34a_100000032740_100020667443 [0,0,0,0,0,1|3,0,0]=4 298 B10R0.98 CC(=O)C(C)OCCC(=O)N 34a_100000212229_100000731001 [0,0,0,0,0,1|2,0,0]=3 299 B10R0.98 CC(=O)C(C)OCCC(=O)N 7a_100000757172_100000179758 [0,0,0,0,0,1|2,0,0]=3 300 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [0,0,0,0,0,1|2,0,0]=3 301 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [0,0,0,0,0,1|2,0,0]=3 302 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,1|2,0,0]=3 303 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,0,0,0,0,1|3,0,0]=4 304 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,0,0,0,0,1|3,0,0]=4 305 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,0,0,0,0,1|3,0,0]=4 306 B10R0.98 CC(=O)CCOC(F)C(=O)N 34a_100000759926_100009813875 [0,0,0,0,0,1|3,0,0]=4 307 B10R0.98 CC(=O)CCOC(F)C(=O)N 7a_100000759926_100009813875 [0,0,0,0,0,1|3,0,0]=4 308 B10R0.98 CC(=O)CCOC(F)C(=O)[O-] 34a_100000759926_100020610796 [0,0,0,0,0,1|2,0,1]=4 309 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,0,0,0,0,1|2,0,1]=4 310 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,0,0,0,0,1|3,0,0]=4 311 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,0,0,0,0,1|3,0,0]=4 312 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,0,0,0,0,1|3,0,0]=4 313 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,0,0,0,0,1|3,0,0]=4 314 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,0,0,0,0,1|3,0,0]=4 315 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100000053229_100009813875 [0,0,0,0,0,1|3,0,0]=4 316 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100009813875_100000053229 [0,0,0,0,0,1|3,0,0]=4 317 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100000053229_100020610796 [0,0,0,0,0,1|2,0,1]=4 318 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000053229 [0,0,0,0,0,1|2,0,1]=4 319 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,0,0,0,0,1|3,0,0]=4 320 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,0,0,0,0,1|2,0,1]=4 321 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,1|1,0,0]=2 322 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,1|2,0,0]=3 323 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,0,0,0,0,1|3,0,0]=4 324 B10R0.98 CC(COCC(=O)N)[N+](=O)[O-] 34a_100000039676_100000187820 [0,0,0,0,0,1|2,0,1]=4 325 B10R0.98 CC(COCC(=O)N)[N+](=O)[O-] 7a_100000039676_100000187820 [0,0,0,0,0,1|2,0,1]=4 326 B10R0.98 CC(OCCC(=O)N)C(=O)N 34a_100000757172_100000702099 [0,0,0,0,0,1|2,0,0]=3 327 B10R0.98 CC(OCCC(=O)N)C(=O)N 7a_100000757172_100000702099 [0,0,0,0,0,1|2,0,0]=3 328 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [0,0,0,0,0,1|2,0,0]=3 329 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [0,0,0,0,0,1|2,0,0]=3 330 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,0,0,0,0,1|2,0,0]=3 331 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,0,0,0,0,1|2,0,0]=3 332 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 34a_100000731257_100000731001 [0,0,0,0,0,1|2,0,0]=3 333 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 7a_100000731257_100000744528 [0,0,0,0,0,1|2,0,0]=3 334 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,1|1,0,0]=2 335 B10R0.98 C[C@H](OCCC(=O)N)C(=O)[O-] 7a_217856618621_100000744528 [0,0,0,0,0,1|1,0,1]=3 336 B10R0.98 NC(=O)CCNC(=O)C(=O)N 240690a_100000740010_100011215815 [0,0,0,0,0,1|2,0,1]=4 337 B10R0.98 NC(=O)CCOC(F)C(=O)N 34a_100000757172_100009813875 [0,0,0,0,0,1|2,0,0]=3 338 B10R0.98 NC(=O)CCOC(F)C(=O)N 7a_100000757172_100009813875 [0,0,0,0,0,1|2,0,0]=3 339 B10R0.98 NC(=O)CCOC(F)C(=O)[O-] 34a_100000757172_100020610796 [0,0,0,0,0,1|1,0,1]=3 340 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100000744528_100009813875 [0,0,0,0,0,1|2,0,0]=3 341 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100009813875_100000744528 [0,0,0,0,0,1|2,0,0]=3 342 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100000744528_100020610796 [0,0,0,0,0,1|1,0,1]=3 343 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000744528 [0,0,0,0,0,1|1,0,1]=3 344 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,1|1,0,0]=2 345 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,0,1|1,0,0]=2 346 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,0,1|2,0,0]=3 347 B10R0.98 NC(=O)[C@@H](N)COC[N+](=O)[O-] 34a_100000729942_100000761209 [0,0,0,0,0,1|3,0,0]=4 348 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,0,0,0,0,1|3,0,0]=4 349 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,1|2,0,0]=3 350 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [2,0,0,0,0,0|2,0,0]=4 354 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [2,0,0,0,0,0|2,0,0]=4 359 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 360 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 361 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 365 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 366 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 367 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|1,0,0]=3 369 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [2,0,0,0,0,0|1,0,1]=4 372 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|1,0,0]=3 373 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|1,0,0]=3 374 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [2,0,0,0,0,0|1,0,1]=4 375 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [2,0,0,0,0,0|1,0,1]=4 376 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 377 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 379 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 380 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 381 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 382 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [2,0,0,0,0,0|1,0,1]=4 384 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [2,0,0,0,0,0|2,0,0]=4 385 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [2,0,0,0,0,0|1,0,1]=4 386 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [1,1,0,0,0,0|2,0,0]=4 387 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|2,0,0]=4 394 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|2,0,0]=4 396 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [1,1,0,0,0,0|2,0,0]=4 399 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [1,1,0,0,0,0|2,0,0]=4 401 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [1,1,0,0,0,0|2,0,0]=4 403 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,1,0,0,0,0|1,0,0]=3 404 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [1,1,0,0,0,0|1,0,0]=3 405 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,1,0,0,0,0|1,0,0]=3 406 B9R0.43 NC(=O)CNC(C=O)C=O 2230a_100000711301_100000736813 [1,1,0,0,0,0|2,0,0]=4 407 B9R0.43 NC(=O)CSC(C=O)C=O 62a_100000736813_100000747473 [1,1,0,0,0,0|2,0,0]=4 408 B9R0.43 NC(=O)CSC(C=O)C=O 62a_100000747473_100000736813 [1,1,0,0,0,0|2,0,0]=4 409 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [1,1,0,0,0,0|2,0,0]=4 410 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,1,0,0,0,0|2,0,0]=4 411 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [1,1,0,0,0,0|1,0,0]=3 412 B9R0.1 C#CC(=O)CCNC(=O)N 1458a_100000211873_200000034859 [1,1,0,0,0,0|2,0,0]=4 413 B9R0.1 C#CC(=O)CCOC(=O)N 1458a_100000211873_200011214921 [1,1,0,0,0,0|2,0,0]=4 414 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|2,0,0]=4 415 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,1,0,0,0,0|1,0,0]=3 416 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [1,1,0,0,0,0|2,0,0]=4 419 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,0]=3 420 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 421 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|2,0,0]=4 422 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|1,0,0]=3 424 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [1,1,0,0,0,0|2,0,0]=4 425 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [1,1,0,0,0,0|2,0,0]=4 426 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,1,0,0,0,0|2,0,0]=4 427 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 428 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [1,1,0,0,0,0|2,0,0]=4 429 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [1,1,0,0,0,0|2,0,0]=4 430 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [1,1,0,0,0,0|2,0,0]=4 432 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 433 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 434 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|1,0,0]=3 436 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,1,0,0,0,0|1,0,1]=4 437 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,1,0,0,0,0|1,0,1]=4 438 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [1,1,0,0,0,0|1,0,1]=4 439 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [1,1,0,0,0,0|1,0,1]=4 440 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [1,1,0,0,0,0|1,0,1]=4 441 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [1,1,0,0,0,0|1,0,1]=4 442 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [1,1,0,0,0,0|2,0,0]=4 445 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [1,1,0,0,0,0|2,0,0]=4 446 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [1,1,0,0,0,0|2,0,0]=4 447 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [1,1,0,0,0,0|2,0,0]=4 448 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [1,1,0,0,0,0|2,0,0]=4 449 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [1,1,0,0,0,0|2,0,0]=4 450 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [1,1,0,0,0,0|2,0,0]=4 452 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [1,1,0,0,0,0|2,0,0]=4 453 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [1,1,0,0,0,0|2,0,0]=4 454 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,1,0,0,0,0|1,0,0]=3 456 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [1,1,0,0,0,0|2,0,0]=4 457 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [1,1,0,0,0,0|2,0,0]=4 459 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [1,1,0,0,0,0|2,0,0]=4 461 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [1,1,0,0,0,0|1,0,1]=4 462 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [1,1,0,0,0,0|2,0,0]=4 464 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [1,1,0,0,0,0|2,0,0]=4 465 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [1,1,0,0,0,0|2,0,0]=4 472 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,0]=3 475 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,0]=3 476 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,0]=3 477 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 478 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|2,0,0]=4 481 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|2,0,0]=4 482 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,1,0,0,0,0|1,0,0]=3 483 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,1,0,0,0,0|1,0,0]=3 484 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,1,0,0,0,0|2,0,0]=4 487 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|0,0,0]=2 488 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [1,1,0,0,0,0|1,0,0]=3 489 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [1,1,0,0,0,0|1,0,0]=3 490 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [1,1,0,0,0,0|1,0,0]=3 493 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,1,0,0,0,0|1,0,0]=3 494 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [1,1,0,0,0,0|1,0,0]=3 497 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [1,1,0,0,0,0|1,0,1]=4 499 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [1,1,0,0,0,0|0,0,2]=4 500 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [1,1,0,0,0,0|2,0,0]=4 501 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [1,1,0,0,0,0|2,0,0]=4 502 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,1,0,0,1,0|1,0,0]=3 506 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,1,0|2,0,0]=4 507 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,1,0|2,0,0]=4 508 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,1,0,0,1,0|1,0,0]=3 509 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [0,1,0,0,0,1|1,0,1]=4 510 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,1,0,0,0,1|2,0,0]=4 511 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,1,0,0,0,1|2,0,0]=4 512 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,1,0,0,0,1|2,0,0]=4 513 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [0,1,0,0,0,1|2,0,0]=4 514 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [0,1,0,0,0,1|2,0,0]=4 515 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,1,0,0,0,1|2,0,0]=4 516 B11R0.143 CCN(CCC(=O)N)CC(=O)O 269956a_100000746405_100000744528 [0,1,0,0,0,1|2,0,0]=4 517 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,1,0,0,0,1|2,0,0]=4 518 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,1,0,0,0,1|2,0,0]=4 519 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,1,0,0,0,1|2,0,0]=4 520 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,1,0,0,0,1|2,0,0]=4 521 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,1,0,0,0,1|2,0,0]=4 522 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,1,0,0,0,1|2,0,0]=4 523 B11R0.109 CNC(=O)CCNC(C)C(=O)C 2230a_100000738227_100009814033 [0,1,0,0,0,1|2,0,0]=4 524 B11R0.109 CNC(=O)CCNC(C)C(=O)N 2230a_100000738227_100000702099 [0,1,0,0,0,1|2,0,0]=4 525 B11R0.109 CNC(=O)CCNC(C)C(=O)N 34a_100000738227_100000702099 [0,1,0,0,0,1|2,0,0]=4 526 B11R0.109 CNC(=O)CCNC(F)C(=O)N 2230a_100000738227_100009813875 [0,1,0,0,0,1|2,0,0]=4 527 B11R0.109 CNC(=O)CCNC(F)C(=O)N 34a_100000738227_100009813875 [0,1,0,0,0,1|2,0,0]=4 528 B11R0.109 CNC(=O)CCNC(F)C(=O)[O-] 34a_100000738227_100020610796 [0,1,0,0,0,1|1,0,1]=4 529 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,1,0,0,0,1|1,0,0]=3 530 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000737683 [0,1,0,0,0,1|2,0,0]=4 531 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100012179268 [0,1,0,0,0,1|2,0,0]=4 532 B11R0.109 CNC(=O)CCOC(C)C(=O)C 34a_100000212229_100012179268 [0,1,0,0,0,1|2,0,0]=4 533 B11R0.109 CNC(=O)CCOC(C)C(=O)N 34a_100000754576_100000702099 [0,1,0,0,0,1|2,0,0]=4 534 B11R0.109 CNC(=O)CCOC(F)C(=O)N 34a_100000754576_100009813875 [0,1,0,0,0,1|2,0,0]=4 535 B11R0.109 CNC(=O)CCOC(F)C(=O)[O-] 34a_100000754576_100020610796 [0,1,0,0,0,1|1,0,1]=4 536 B11R0.109 CNC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000737683 [0,1,0,0,0,1|1,0,1]=4 537 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100012179268 [0,1,0,0,0,1|2,0,0]=4 538 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000737683 [0,1,0,0,0,1|2,0,0]=4 539 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100000737683_100009814033 [0,1,0,0,0,1|2,0,0]=4 540 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737683 [0,1,0,0,0,1|2,0,0]=4 541 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000702099_100000737683 [0,1,0,0,0,1|2,0,0]=4 542 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000737683_100000702099 [0,1,0,0,0,1|2,0,0]=4 543 B11R0.109 CNC(=O)CCSC(F)C(=O)N 62a_100000737683_100009813875 [0,1,0,0,0,1|2,0,0]=4 544 B11R0.109 CNC(=O)CCSC(F)C(=O)N 62a_100009813875_100000737683 [0,1,0,0,0,1|2,0,0]=4 545 B11R0.109 CNC(=O)CCSC(F)C(=O)[O-] 62a_100000737683_100020610796 [0,1,0,0,0,1|1,0,1]=4 546 B11R0.109 CNC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000737683 [0,1,0,0,0,1|1,0,1]=4 547 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,1,0,0,0,1|1,0,0]=3 548 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,1,0,0,0,1|1,0,0]=3 549 B11R0.109 CNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183359 [0,1,0,0,0,1|2,0,0]=4 550 B11R0.109 CNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183359 [0,1,0,0,0,1|2,0,0]=4 551 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,1|1,0,0]=3 552 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,1,0,0,0,1|2,0,0]=4 553 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,1,0,0,0,1|2,0,0]=4 554 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,1,0,0,0,1|2,0,0]=4 555 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,1,0,0,0,1|2,0,0]=4 556 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [0,1,0,0,0,1|2,0,0]=4 557 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100000747473_100009813391 [0,1,0,0,0,1|1,0,1]=4 558 B11R0.145 C=C(CSCC(=O)N)C(=O)OC 62a_100009813391_100000747473 [0,1,0,0,0,1|1,0,1]=4 559 B11R0.145 C=C(F)COC[C@@H](N)C(=O)OC 34a_100000003586_100009893438 [0,1,0,0,0,1|2,0,0]=4 560 B11R0.145 CC(OCCC(=O)N)C(=O)NN 34a_100000725659_100000731001 [0,1,0,0,0,1|2,0,0]=4 561 B11R0.145 CCC(=O)C(C)OCCC(=O)N 7a_100000757172_100000742827 [0,1,0,0,0,1|2,0,0]=4 562 B11R0.145 CCC(=O)C(C)SCCC(=O)N 62a_100000742827_100000744528 [0,1,0,0,0,1|2,0,0]=4 563 B11R0.145 CCC(=O)C(C)SCCC(=O)N 62a_100000744528_100000742827 [0,1,0,0,0,1|2,0,0]=4 564 B11R0.145 CNC(=O)C(C)CNCC(=O)N 2230a_100015187722_100000747473 [0,1,0,0,0,1|2,0,0]=4 565 B11R0.145 CNC(=O)C(C)CNCC(=O)N 34a_100015187722_100000187820 [0,1,0,0,0,1|2,0,0]=4 566 B11R0.145 CNC(=O)C(C)OCCC(=O)N 34a_100000757172_100000731044 [0,1,0,0,0,1|2,0,0]=4 567 B11R0.145 CNC(=O)C(C)OCCC(=O)N 7a_100000757172_100000209862 [0,1,0,0,0,1|2,0,0]=4 568 B11R0.145 CNC(=O)C(C)SCCC(=O)N 62a_100000209862_100000744528 [0,1,0,0,0,1|2,0,0]=4 569 B11R0.145 CNC(=O)C(C)SCCC(=O)N 62a_100000744528_100000731044 [0,1,0,0,0,1|2,0,0]=4 570 B11R0.145 CNC(=O)C(F)OCCC(=O)N 34a_100000757172_100009813575 [0,1,0,0,0,1|2,0,0]=4 571 B11R0.145 CNC(=O)C(F)OCCC(=O)N 7a_100000757172_100009813575 [0,1,0,0,0,1|2,0,0]=4 572 B11R0.145 CNC(=O)C(F)SCCC(=O)N 62a_100000744528_100009813575 [0,1,0,0,0,1|2,0,0]=4 573 B11R0.145 CNC(=O)C(F)SCCC(=O)N 62a_100009813575_100000744528 [0,1,0,0,0,1|2,0,0]=4 574 B11R0.145 CNC(=O)[C@@H](C)NCCC(=O)N 2230a_100000684985_100000744528 [0,1,0,0,0,1|2,0,0]=4 575 B11R0.145 CNC(=O)[C@@H](C)NCCC(=O)N 34a_100000684985_100000731001 [0,1,0,0,0,1|2,0,0]=4 576 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011610305 [0,1,0,0,0,1|1,0,1]=4 577 B11R0.145 COC(=O)C(=O)CSCC(=O)N 62a_100011610305_100000747473 [0,1,0,0,0,1|1,0,1]=4 578 B11R0.145 COC(=O)C(=O)NCCC(=O)N 11a_100000740010_100000024059 [0,1,0,0,0,1|1,0,1]=4 579 B11R0.145 COC(=O)C(=O)NCCC(=O)N 240690a_100000740010_100000024059 [0,1,0,0,0,1|1,0,1]=4 580 B11R0.145 COC(=O)C(=O)NCCC(=O)N 527a_100000740010_100000024059 [0,1,0,0,0,1|1,0,1]=4 581 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,1,0,0,0,1|2,0,0]=4 582 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,1,0,0,0,1|1,0,0]=3 583 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,1,0,0,0,1|1,0,0]=3 584 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [0,1,0,0,0,1|2,0,0]=4 585 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,1,0,0,0,1|1,0,0]=3 586 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,1,0,0,0,1|1,0,0]=3 587 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,1,0,0,0,1|2,0,0]=4 588 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,1,0,0,0,1|2,0,0]=4 589 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,1,0,0,0,1|2,0,0]=4 590 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,1,0,0,0,1|2,0,0]=4 591 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [0,1,0,0,0,1|1,0,0]=3 592 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [0,1,0,0,0,1|1,0,0]=3 593 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [0,1,0,0,0,1|1,0,0]=3 594 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,1,0,0,0,1|2,0,0]=4 595 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,1,0,0,0,1|2,0,0]=4 596 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [0,1,0,0,0,1|1,0,0]=3 597 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [0,1,0,0,0,1|1,0,0]=3 598 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [0,1,0,0,0,1|1,0,0]=3 599 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [0,1,0,0,0,1|2,0,0]=4 600 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,1,0,0,0,1|0,0,0]=2 601 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,1,0,0,0,1|1,0,0]=3 602 B11R0.145 COC(=O)[C@H](N)COC[N+](=O)[O-] 34a_100000003586_100000761209 [0,1,0,0,0,1|2,0,0]=4 603 B11R0.145 NNC(=O)C(N)COCC(=O)N 34a_100016989258_100000187820 [0,1,0,0,0,1|1,0,0]=3 604 B11R0.145 NNC(=O)C(N)COCC(=O)[O-] 34a_100016989258_100020667443 [0,1,0,0,0,1|2,0,0]=4 605 B11R0.150 CC(=O)C(C)COC(C)C(=O)N 34a_100000032740_100000702099 [0,1,0,0,0,1|2,0,0]=4 606 B11R0.150 CC(=O)C(C)COC(C)C(=O)N 7a_100000032740_100000702099 [0,1,0,0,0,1|2,0,0]=4 607 B11R0.150 CC(=O)C(C)COC(F)C(=O)N 34a_100000032740_100009813875 [0,1,0,0,0,1|2,0,0]=4 608 B11R0.150 CC(=O)C(C)COC(F)C(=O)N 7a_100000032740_100009813875 [0,1,0,0,0,1|2,0,0]=4 609 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,1,0,0,0,1|2,0,0]=4 610 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [0,1,0,0,0,1|2,0,0]=4 611 B11R0.150 CC(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000702099 [0,1,0,0,0,1|1,0,0]=3 612 B11R0.150 NC(=O)C(F)OC[C@H](N)C(=O)N 34a_100000729942_100009813875 [0,1,0,0,0,1|1,0,0]=3 613 B11R0.150 NC(=O)[C@@H](N)COC(F)C(=O)[O-] 34a_100000729942_100020610796 [0,1,0,0,0,1|1,0,1]=4 614 B11R0.202 CC(=O)C(C)(C)OCCC(=O)N 34a_100000747739_100000731001 [0,1,0,0,0,1|2,0,0]=4 615 B11R0.202 CC(=O)C(C)(C)OCCC(=O)N 7a_100000747739_100000744528 [0,1,0,0,0,1|2,0,0]=4 616 B11R0.202 CC(=O)C(C)(C)OCCC(=O)N 7a_100000757172_100000075568 [0,1,0,0,0,1|2,0,0]=4 617 B11R0.202 CC(=O)C(C)(C)SCCC(=O)N 62a_100000075568_100000744528 [0,1,0,0,0,1|2,0,0]=4 618 B11R0.202 CC(=O)C(C)(C)SCCC(=O)N 62a_100000744528_100000075568 [0,1,0,0,0,1|2,0,0]=4 619 B11R0.202 CC(C)(CNCC(=O)N)C(=O)N 2230a_100000740840_100000747473 [0,1,0,0,0,1|2,0,0]=4 620 B11R0.202 CC(C)(CNCC(=O)N)C(=O)N 34a_100000740840_100000187820 [0,1,0,0,0,1|2,0,0]=4 621 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [0,1,0,0,0,1|1,0,0]=3 622 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)O 269956a_100000693527_100020667443 [0,1,0,0,0,1|2,0,0]=4 623 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_100000747473_200009895572 [0,1,0,0,0,1|2,0,0]=4 624 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_200009895572_100000747473 [0,1,0,0,0,1|2,0,0]=4 625 B11R0.202 CC(C)(NCCC(=O)N)C(=O)N 2230a_100000743658_100000744528 [0,1,0,0,0,1|2,0,0]=4 626 B11R0.202 CC(C)(NCCC(=O)N)C(=O)N 34a_100000743658_100000731001 [0,1,0,0,0,1|2,0,0]=4 627 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 34a_100000757172_100000702505 [0,1,0,0,0,1|2,0,0]=4 628 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 34a_100011626353_100000731001 [0,1,0,0,0,1|2,0,0]=4 629 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 7a_100000757172_100000702505 [0,1,0,0,0,1|2,0,0]=4 630 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 7a_100011626353_100000744528 [0,1,0,0,0,1|2,0,0]=4 631 B11R0.202 CC(C)(ONCC(=O)N)C(=O)O 269956a_100016989451_100000187820 [0,1,0,0,0,1|2,0,0]=4 632 B11R0.202 CC(C)(SCCC(=O)N)C(=O)N 62a_100000702505_100000744528 [0,1,0,0,0,1|2,0,0]=4 633 B11R0.202 CC(C)(SCCC(=O)N)C(=O)N 62a_100000744528_100000702505 [0,1,0,0,0,1|2,0,0]=4 634 B11R0.202 NC(=O)CCOC(F)(F)C(=O)N 7a_100000757172_100009811971 [0,1,0,0,0,1|2,0,0]=4 635 B11R0.202 NC(=O)CCOC(F)(F)C(=O)[O-] 34a_100000757172_100020612412 [0,1,0,0,0,1|1,0,1]=4 636 B11R0.202 NC(=O)CCSC(F)(F)C(=O)N 62a_100000744528_100009811971 [0,1,0,0,0,1|2,0,0]=4 637 B11R0.202 NC(=O)CCSC(F)(F)C(=O)N 62a_100009811971_100000744528 [0,1,0,0,0,1|2,0,0]=4 638 B11R0.202 NC(=O)CCSC(F)(F)C(=O)[O-] 62a_100000744528_100000745680 [0,1,0,0,0,1|1,0,1]=4 639 B11R0.202 NC(=O)CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000744528 [0,1,0,0,0,1|1,0,1]=4 640 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000187820 [0,1,0,0,0,1|1,0,0]=3 641 B11R0.202 O=C([O-])CNCC(F)(F)C(=O)O 269956a_100000734215_100020667443 [0,1,0,0,0,1|2,0,0]=4 642 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,1,0,0,0,1|2,0,0]=4 643 B11R0.273 C=C[C@H](NCCC(=O)N)C(=O)O 269956a_100016992060_100000744528 [0,1,0,0,0,1|1,0,0]=3 644 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,1,0,0,0,1|2,0,0]=4 645 B11R0.273 CCC(NCCC(=O)N)C(=O)N 2230a_100000733705_100000744528 [0,1,0,0,0,1|2,0,0]=4 646 B11R0.273 CCC(NCCC(=O)N)C(=O)N 34a_100000733705_100000731001 [0,1,0,0,0,1|2,0,0]=4 647 B11R0.273 CCC(OCCC(=O)N)C(=O)N 34a_100000757172_100000750255 [0,1,0,0,0,1|2,0,0]=4 648 B11R0.273 CCC(OCCC(=O)N)C(=O)N 7a_100000757172_100000750255 [0,1,0,0,0,1|2,0,0]=4 649 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000744528_100000750255 [0,1,0,0,0,1|2,0,0]=4 650 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000750255_100000744528 [0,1,0,0,0,1|2,0,0]=4 651 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,1,0,0,0,1|2,0,0]=4 652 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,1,0,0,0,1|1,0,0]=3 653 B11R0.273 N#CC(NCCC(=O)N)C(=O)N 2230a_100000039599_100000744528 [0,1,0,0,0,1|1,0,1]=4 654 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,1,0,0,0,1|1,0,0]=3 655 B11R0.273 NC(=O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000744528 [0,1,0,0,0,1|2,0,0]=4 656 B11R0.273 NC(=O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000731001 [0,1,0,0,0,1|2,0,0]=4 657 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,1,0,0,0,1|2,0,0]=4 658 B11R0.318 NS(=O)(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741382 [0,1,0,0,0,1|2,0,0]=4 659 B11R0.63 COC(=O)C(C)C(=O)CC(=O)N 1458a_100012027023_100000187820 [0,2,0,0,0,0|1,0,1]=4 660 B11R0.63 COC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100000211248 [0,2,0,0,0,0|1,0,1]=4 661 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000725243_100000747473 [0,2,0,0,0,0|2,0,0]=4 662 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100000211248 [0,2,0,0,0,0|2,0,0]=4 663 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 269982a_100000725243_100000187820 [0,2,0,0,0,0|2,0,0]=4 664 B11R0.92 CNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183359 [0,2,0,0,0,0|2,0,0]=4 665 B11R0.282 CN(CC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000187820 [0,2,0,0,0,0|2,0,0]=4 666 B11R0.288 COC(=O)C(C)(C)NCC(=O)N 2230a_100000711301_100000689032 [0,2,0,0,0,0|2,0,0]=4 667 B11R0.288 COC(=O)C(C)(C)OCC(=O)N 34a_100011217581_100000187820 [0,2,0,0,0,0|2,0,0]=4 668 B11R0.288 COC(=O)C(C)(C)OCC(=O)N 7a_100011217581_100000187820 [0,2,0,0,0,0|2,0,0]=4 669 B11R0.288 COC(=O)C(C)(C)SCC(=O)N 62a_100000689032_100000747473 [0,2,0,0,0,0|2,0,0]=4 670 B11R0.288 COC(=O)C(C)(C)SCC(=O)N 62a_100000747473_100000689032 [0,2,0,0,0,0|2,0,0]=4 671 B11R0.288 COC(=O)C(C)(F)NCC(=O)N 2230a_100000711301_200009867631 [0,2,0,0,0,0|2,0,0]=4 672 B11R0.288 COC(=O)C(C)(F)SCC(=O)N 62a_100000747473_200009867631 [0,2,0,0,0,0|2,0,0]=4 673 B11R0.288 COC(=O)C(C)(F)SCC(=O)N 62a_200009867631_100000747473 [0,2,0,0,0,0|2,0,0]=4 674 B11R0.288 COC(=O)C(F)(F)SCC(=O)N 62a_100000211177_100000747473 [0,2,0,0,0,0|2,0,0]=4 675 B11R0.288 COC(=O)C(F)(F)SCC(=O)N 62a_100000747473_100000211177 [0,2,0,0,0,0|2,0,0]=4 676 B11R0.371 CCC(C)(NCC(=O)N)C(=O)O 269956a_100025756313_100000187820 [0,2,0,0,0,0|2,0,0]=4 677 B11R0.59 CCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100011215307 [0,2,0,0,0,0|2,0,0]=4 678 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100000747473_100011216346 [0,2,0,0,0,0|2,0,0]=4 679 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100011216346_100000747473 [0,2,0,0,0,0|2,0,0]=4 680 B11R0.59 CCOC(=O)C(F)NCC(=O)N 2230a_100000711301_100000760018 [0,2,0,0,0,0|2,0,0]=4 681 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000747473_100000760018 [0,2,0,0,0,0|2,0,0]=4 682 B11R0.59 CCOC(=O)C(F)SCC(=O)N 62a_100000760018_100000747473 [0,2,0,0,0,0|2,0,0]=4 683 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 7a_100000751109_100000187820 [0,2,0,0,0,0|2,0,0]=4 684 B11R0.59 CN(CCC(=O)N)C(=O)CCO 240690a_100000730477_100011216618 [0,2,0,0,0,0|2,0,0]=4 685 B11R0.59 COCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 686 B11R0.59 COCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 687 B11R0.59 COCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 688 B11R0.117 CNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000209862 [0,2,0,0,0,0|2,0,0]=4 689 B11R0.117 COC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100000211248 [0,2,0,0,0,0|2,0,0]=4 690 B11R0.117 COC(=O)C(C)N[C@H](C)C(=O)N 34a_100000119354_100000211248 [0,2,0,0,0,0|2,0,0]=4 691 B11R0.117 COC(=O)C(C)OC(C)C(=O)N 34a_100011215400_100000702099 [0,2,0,0,0,0|2,0,0]=4 692 B11R0.117 COC(=O)C(C)OC(F)C(=O)N 34a_100011215400_100009813875 [0,2,0,0,0,0|2,0,0]=4 693 B11R0.117 COC(=O)C(C)O[C@H](C)C(=O)N 34a_100000731257_100000211248 [0,2,0,0,0,0|2,0,0]=4 694 B11R0.117 COC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000211248 [0,2,0,0,0,0|2,0,0]=4 695 B11R0.117 COC(=O)C(C)SC(C)C(=O)N 62a_100000211248_100000702099 [0,2,0,0,0,0|2,0,0]=4 696 B11R0.117 COC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100000211248 [0,2,0,0,0,0|2,0,0]=4 697 B11R0.117 COC(=O)C(C)SC(F)C(=O)N 62a_100000211248_100009813875 [0,2,0,0,0,0|2,0,0]=4 698 B11R0.117 COC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100000211248 [0,2,0,0,0,0|2,0,0]=4 699 B11R0.118 CCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000235869 [0,2,0,0,0,0|2,0,0]=4 700 B11R0.118 CCC(OCC(=O)N)C(=O)OC 34a_100000695916_100000187820 [0,2,0,0,0,0|2,0,0]=4 701 B11R0.118 CCC(OCC(=O)N)C(=O)OC 7a_100000695916_100000187820 [0,2,0,0,0,0|2,0,0]=4 702 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000235869_100000747473 [0,2,0,0,0,0|2,0,0]=4 703 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000747473_100000235869 [0,2,0,0,0,0|2,0,0]=4 704 B11R0.118 CCN(CCC(=O)N)C(=O)CO 240690a_100020645749_100000210174 [0,2,0,0,0,0|2,0,0]=4 705 B11R0.118 CCN(CCC(=O)N)C(=O)CO 527a_100020645749_100000210174 [0,2,0,0,0,0|2,0,0]=4 706 B11R0.118 COC(=O)C(C=O)SCC(=O)N 62a_100000046368_100000747473 [0,2,0,0,0,0|2,0,0]=4 707 B11R0.118 COC(=O)C(C=O)SCC(=O)N 62a_100000747473_100000046368 [0,2,0,0,0,0|2,0,0]=4 708 B11R0.118 COC(=O)C(CN)OCC(=O)N 34a_100000695228_100000187820 [0,2,0,0,0,0|1,0,0]=3 709 B11R0.118 COC(=O)C(CN)OCC(=O)[O-] 34a_100000695228_100020667443 [0,2,0,0,0,0|2,0,0]=4 710 B11R0.118 COC(=O)C(CO)SCC(=O)N 62a_100000747473_100012276630 [0,2,0,0,0,0|2,0,0]=4 711 B11R0.118 COC(=O)C(CO)SCC(=O)N 62a_100012276630_100000747473 [0,2,0,0,0,0|2,0,0]=4 712 B11R0.118 COC(=O)C(OC)OCC(=O)N 34a_100000036821_100000187820 [0,2,0,0,0,0|2,0,0]=4 713 B11R0.118 COC(=O)C(OC)SCC(=O)N 62a_100000101307_100000747473 [0,2,0,0,0,0|2,0,0]=4 714 B11R0.118 COC(=O)C(OC)SCC(=O)N 62a_100000747473_100000101307 [0,2,0,0,0,0|2,0,0]=4 715 B11R0.120 C#CC(=O)CCC(C)C(=O)OC 1458a_100000211873_100000034942 [0,2,0,0,0,0|2,0,0]=4 716 B11R0.120 C=CC(=O)CCC(C)C(=O)OC 1458a_100000185746_100000034942 [0,2,0,0,0,0|2,0,0]=4 717 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,2,0,0,0,0|2,0,0]=4 718 B11R0.120 CNC(=O)CCN(C)C(=O)CO 240690a_100000750875_100000210174 [0,2,0,0,0,0|2,0,0]=4 719 B11R0.120 CNC(=O)CCN(C)C(=O)CO 527a_100000750875_100000210174 [0,2,0,0,0,0|2,0,0]=4 720 B11R0.120 CNC(=O)CNC(C)C(=O)OC 2230a_100000693194_100000211248 [0,2,0,0,0,0|2,0,0]=4 721 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100000750040_100000211248 [0,2,0,0,0,0|2,0,0]=4 722 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183359 [0,2,0,0,0,0|2,0,0]=4 723 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000183359_100000211248 [0,2,0,0,0,0|2,0,0]=4 724 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183359 [0,2,0,0,0,0|2,0,0]=4 725 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|2,0,0]=4 726 B11R0.90 C=C[C@H](NCC(=O)NC)C(=O)O 269956a_100016992060_100000183359 [0,2,0,0,0,0|2,0,0]=4 727 B11R0.90 CC[C@@H](NCC(=O)NC)C(=O)O 269956a_100000747097_100000183359 [0,2,0,0,0,0|2,0,0]=4 728 B11R0.90 CNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183359 [0,2,0,0,0,0|2,0,0]=4 729 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,2,0,0,0,0|2,0,0]=4 730 B11R0.141 C[C@H](NCC(=O)NCO)C(=O)O 269956a_100000743915_100000185155 [0,2,0,0,0,0|2,0,0]=4 731 B11R0.28 CC(C)[C@@H](NCC(=O)N)C(=O)O 269956a_100000745019_100000187820 [0,2,0,0,0,0|2,0,0]=4 732 B11R0.28 CC(O)C(NCC(=O)N)C(=O)O 269956a_100000185852_100000187820 [0,2,0,0,0,0|2,0,0]=4 733 B11R0.28 NC(=O)CNC(C(=O)N)C(=O)N 2230a_100000025885_100000747473 [0,2,0,0,0,0|2,0,0]=4 734 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,2,0,0,0,0|2,0,0]=4 735 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210202 [0,2,0,0,0,0|1,0,0]=3 736 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210202 [0,2,0,0,0,0|1,0,0]=3 737 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,2,0,0,0,0|2,0,0]=4 738 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [0,2,0,0,0,0|2,0,0]=4 739 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,2,0,0,0,0|2,0,0]=4 740 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [0,2,0,0,0,0|2,0,0]=4 741 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,2,0,0,0,0|2,0,0]=4 742 B11R0.146 NC(=O)CC[C@H](NCF)C(=O)N 34a_200000143477_100015361967 [0,2,0,0,0,0|1,0,0]=3 743 B11R0.275 CCC(N[C@@H](C)C(=O)O)C(=O)N 269956a_100000743915_200011216081 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|1,0,0]=3 745 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [1,0,0,1,0,0|2,0,0]=4 746 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|2,0,0]=4 747 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [1,0,0,1,0,0|2,0,0]=4 748 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|1,0,0]=3 749 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [1,0,0,1,0,0|2,0,0]=4 750 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|2,0,0]=4 751 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,0,1,0,0|2,0,0]=4 753 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 754 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 755 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 756 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,1,0,1|2,0,0]=4 757 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,1|2,0,0]=4 758 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [0,0,0,1,0,1|2,0,0]=4 759 B11R1.161 NC(=O)CCOC1CCC1=O 34a_100000757172_100009892977 [0,0,0,1,0,1|2,0,0]=4 760 B11R1.161 NC(=O)CCOC1CCC1=O 7a_100000757172_100009892977 [0,0,0,1,0,1|2,0,0]=4 761 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100000744528_100009892977 [0,0,0,1,0,1|2,0,0]=4 762 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100009892977_100000744528 [0,0,0,1,0,1|2,0,0]=4 763 B11R1.166 CC(=O)C1CCC(=O)NC1=O 1458a_100000070787_100000694648 [0,1,0,1,0,0|2,0,0]=4 764 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,1,0,1,0,0|2,0,0]=4 765 B11R1.1391 NC(=O)CNC1(CC1)C(=O)O 269956a_100000746478_100000187820 [0,1,0,1,0,0|2,0,0]=4 766 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,1,0,0|2,0,0]=4 767 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,1,0,1,0,0|2,0,0]=4 768 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 769 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 770 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 771 B11R1.22 O=C1CCC(CN1)C(=O)CF 1458a_100000740907_100015361967 [0,1,0,1,0,0|2,0,0]=4 772 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000747473 [0,1,0,1,0,0|2,0,0]=4 775 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000187820 [0,1,0,1,0,0|2,0,0]=4 776 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,1,0,1,0,0|2,0,0]=4 777 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,1,0,1,0,0|2,0,0]=4 778 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|2,0,0]=4 779 B11R1.849 COC(=O)C1CN1CC(=O)N 2230a_200009830135_100000747473 [0,1,0,1,0,0|2,0,0]=4 780 B11R1.853 COC(=O)C1CC(C1)C(=O)C 1458a_100000070787_100009897219 [0,1,0,1,0,0|2,0,0]=4 781 B11R1.853 NC(=O)C1CN(C1)C(=O)CO 240690a_100025753142_100000210174 [0,1,0,1,0,0|2,0,0]=4 782 B11R1.853 NC(=O)C1CN(C1)C(=O)CO 527a_100025753142_100000210174 [0,1,0,1,0,0|2,0,0]=4 783 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,2,0|2,0,0]=4 784 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,2,0|2,0,0]=4 785 B9R0.55 C=C(Br)CCOCC(=O)N 34a_100009813270_100000187820 [1,0,0,0,0,1|2,0,0]=4 786 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [1,0,0,0,0,1|2,0,0]=4 787 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,1|2,0,0]=4 788 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [1,0,0,0,0,1|2,0,0]=4 789 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [1,0,0,0,0,1|2,0,0]=4 790 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [1,0,0,0,0,1|2,0,0]=4 791 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [1,0,0,0,0,1|2,0,0]=4 792 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [1,0,0,0,0,1|2,0,0]=4 793 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [1,0,0,0,0,1|2,0,0]=4 794 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [1,0,0,0,0,1|2,0,0]=4 795 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [1,0,0,0,0,1|2,0,0]=4 796 B9R0.55 C=C(F)COCCC(=O)N 34a_100000757172_100009893438 [1,0,0,0,0,1|2,0,0]=4 797 B9R0.55 C=C(F)COCCC(=O)N 34a_200010262243_100000731001 [1,0,0,0,0,1|2,0,0]=4 798 B9R0.55 C=C(F)COCCC(=O)N 7a_100000757172_100000042424 [1,0,0,0,0,1|2,0,0]=4 799 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [1,0,0,0,0,1|2,0,0]=4 800 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [1,0,0,0,0,1|2,0,0]=4 801 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,1|2,0,0]=4 802 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [1,0,0,0,0,1|2,0,0]=4 803 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,1|2,0,0]=4 804 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,1|2,0,0]=4 805 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,1|2,0,0]=4 806 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|1,0,0]=3 807 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,1|1,0,0]=3 808 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,1|1,0,0]=3 809 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,1|1,0,0]=3 810 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,1|1,0,1]=4 811 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,1|1,0,0]=3 812 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,1|1,0,0]=3 813 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,1|1,0,0]=3 814 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,1|1,0,1]=4 815 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,1|1,0,1]=4 816 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,1|1,0,0]=3 817 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,1|1,0,0]=3 818 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,1|1,0,0]=3 819 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,1|2,0,0]=4 820 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [1,0,0,0,0,1|2,0,0]=4 821 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [1,0,0,0,0,1|2,0,0]=4 822 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 823 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [1,0,0,0,0,1|2,0,0]=4 824 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [1,0,0,0,0,1|2,0,0]=4 825 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,0,0,0,0,1|1,0,1]=4 826 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,0,0,0,0,1|1,0,1]=4 827 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,0,0,0,0,1|1,0,1]=4 828 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,0,0,0,0,1|1,0,1]=4 829 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [1,0,0,0,0,1|1,0,1]=4 830 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [1,0,0,0,0,1|1,0,1]=4 831 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,0,0,0,0,1|1,0,1]=4 832 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,0,0,0,0,1|1,0,1]=4 833 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,0,0,0,0,1|1,0,1]=4 834 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,0,0,0,0,1|1,0,1]=4 835 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,0,0,0,0,1|1,0,1]=4 836 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,0,0,0,0,1|1,0,1]=4 837 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,0,0,0,0,1|1,0,1]=4 838 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,0,0,0,0,1|1,0,1]=4 839 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,0,0,0,0,1|1,0,0]=3 840 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|0,0,0]=2 841 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,0,0,0,0,1|1,0,0]=3 842 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,0,0,0,0,1|1,0,0]=3 843 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,0,0,0,0,1|0,0,1]=3 844 B9R0.55 NC(=O)CCOC[N+](=O)[O-] 34a_100000757172_100000761209 [1,0,0,0,0,1|1,0,1]=4 845 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,0,0,0,0,1|1,0,0]=3 846 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,0,0,0,0,1|1,0,0]=3 847 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,0,0,0,0,1|0,0,1]=3 848 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,0,0,0,0,1|0,0,1]=3 849 B9R0.55 NC(=O)CCSC[N+](=O)[O-] 62a_100000744528_100000761209 [1,0,0,0,0,1|1,0,1]=4 850 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,1|1,0,0]=3 851 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,1|2,0,0]=4 852 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [1,0,0,0,0,1|2,0,0]=4 853 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,1|1,0,0]=3 854 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100000744528_100009818208 [0,0,0,0,0,2|2,0,0]=4 855 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100009818208_100000744528 [0,0,0,0,0,2|2,0,0]=4 856 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,0,0,0,0,2|2,0,0]=4 857 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,0,0,0,0,2|2,0,0]=4 858 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,0,0,0,0,2|1,0,0]=3 859 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,0,0,0,0,2|2,0,0]=4 860 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,0,0,0,0,2|2,0,0]=4 861 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,0,0,0,0,2|2,0,0]=4 862 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,0,0,0,0,2|2,0,0]=4 863 B11R0.29 CC(=O)C(C)OCCOC(=O)N 34a_100000212229_200011214921 [0,0,0,0,0,2|2,0,0]=4 864 B11R0.29 CC(=O)C(C)OCCOC(=O)N 7a_100000766696_100000179758 [0,0,0,0,0,2|2,0,0]=4 865 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,0,0,0,0,2|2,0,0]=4 866 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,0,0,0,0,2|2,0,0]=4 867 B11R0.29 CC(=O)C(C)SCCNC(=O)N 62a_100009814033_200000034859 [0,0,0,0,0,2|2,0,0]=4 868 B11R0.29 CC(=O)C(C)SCCNC(=O)N 62a_200000034859_100009814033 [0,0,0,0,0,2|2,0,0]=4 869 B11R0.29 CC(=O)C(C)SCCOC(=O)N 62a_100009814033_200011214921 [0,0,0,0,0,2|2,0,0]=4 870 B11R0.29 CC(=O)C(C)SCCOC(=O)N 62a_200011214921_100009814033 [0,0,0,0,0,2|2,0,0]=4 871 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,0,2|2,0,0]=4 872 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,0,2|2,0,0]=4 873 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,0,2|2,0,0]=4 874 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,0,2|2,0,0]=4 875 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,0,0,0,0,2|2,0,0]=4 876 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,0,0,0,0,2|2,0,0]=4 877 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,0,0,0,0,2|2,0,0]=4 878 B11R0.29 CC(=O)OCOC[C@H](N)C(=O)N 34a_100000729942_100009813279 [0,0,0,0,0,2|2,0,0]=4 879 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,0,0,0,0,2|1,0,0]=3 880 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,0,0,0,0,2|2,0,0]=4 881 B11R0.29 CC(NCCNC(=O)N)C(=O)N 34a_100020590234_100000702099 [0,0,0,0,0,2|2,0,0]=4 882 B11R0.29 CC(OCCNC(=O)N)C(=O)N 34a_100000181757_100000702099 [0,0,0,0,0,2|2,0,0]=4 883 B11R0.29 CC(OCCOC(=O)N)C(=O)N 7a_100000766696_100000702099 [0,0,0,0,0,2|2,0,0]=4 884 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,0,0,0,0,2|2,0,0]=4 885 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,0,0,0,0,2|2,0,0]=4 886 B11R0.29 CC(SCCNC(=O)N)C(=O)N 62a_100000702099_200000034859 [0,0,0,0,0,2|2,0,0]=4 887 B11R0.29 CC(SCCNC(=O)N)C(=O)N 62a_200000034859_100000702099 [0,0,0,0,0,2|2,0,0]=4 888 B11R0.29 CC(SCCOC(=O)N)C(=O)N 62a_100000702099_200011214921 [0,0,0,0,0,2|2,0,0]=4 889 B11R0.29 CC(SCCOC(=O)N)C(=O)N 62a_200011214921_100000702099 [0,0,0,0,0,2|2,0,0]=4 890 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,0,0,0,0,2|2,0,0]=4 891 B11R0.29 C[C@@H](NCCNC(=O)N)C(=O)N 2230a_100000119354_200000034859 [0,0,0,0,0,2|2,0,0]=4 892 B11R0.29 C[C@@H](NCCOC(=O)N)C(=O)N 34a_100000119354_200011214921 [0,0,0,0,0,2|2,0,0]=4 893 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,0,0,0,0,2|2,0,0]=4 894 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,0,0,0,0,2|2,0,0]=4 895 B11R0.29 C[C@@H](OCCNC(=O)N)C(=O)N 7a_100000731257_200000034859 [0,0,0,0,0,2|2,0,0]=4 896 B11R0.29 C[C@@H](OCCOC(=O)N)C(=O)N 34a_100000731257_200011214921 [0,0,0,0,0,2|2,0,0]=4 897 B11R0.29 C[C@@H](OCCOC(=O)N)C(=O)N 7a_100000731257_200011214921 [0,0,0,0,0,2|2,0,0]=4 898 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,0,0,0,0,2|1,0,0]=3 899 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,0,2|1,0,0]=3 900 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,0,0,0,0,2|1,0,1]=4 901 B11R0.29 C[C@H](OCCNC(=O)N)C(=O)[O-] 7a_217856618621_200000034859 [0,0,0,0,0,2|1,0,1]=4 902 B11R0.29 C[C@H](OCCOC(=O)N)C(=O)[O-] 7a_217856618621_200011214921 [0,0,0,0,0,2|1,0,1]=4 903 B11R0.29 NC(=O)CCCNC(F)C(=O)N 34a_100000739312_100009813875 [0,0,0,0,0,2|2,0,0]=4 904 B11R0.29 NC(=O)CCCNC(F)C(=O)[O-] 34a_100000739312_100020610796 [0,0,0,0,0,2|1,0,1]=4 905 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100009813875_100102525003 [0,0,0,0,0,2|2,0,0]=4 906 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100102525003_100009813875 [0,0,0,0,0,2|2,0,0]=4 907 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100102525003 [0,0,0,0,0,2|1,0,1]=4 908 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100102525003_100020610796 [0,0,0,0,0,2|1,0,1]=4 909 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,0,0,0,0,2|1,0,0]=3 910 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,0,0,0,0,2|1,0,0]=3 911 B11R0.29 NC(=O)NCCNC(F)C(=O)N 34a_100020590234_100009813875 [0,0,0,0,0,2|2,0,0]=4 912 B11R0.29 NC(=O)NCCNC(F)C(=O)[O-] 34a_100020590234_100020610796 [0,0,0,0,0,2|1,0,1]=4 913 B11R0.29 NC(=O)NCCOC(F)C(=O)N 34a_100000181757_100009813875 [0,0,0,0,0,2|2,0,0]=4 914 B11R0.29 NC(=O)NCCOC(F)C(=O)[O-] 34a_100000181757_100020610796 [0,0,0,0,0,2|1,0,1]=4 915 B11R0.29 NC(=O)NCCSC(F)C(=O)N 62a_100009813875_200000034859 [0,0,0,0,0,2|2,0,0]=4 916 B11R0.29 NC(=O)NCCSC(F)C(=O)N 62a_200000034859_100009813875 [0,0,0,0,0,2|2,0,0]=4 917 B11R0.29 NC(=O)NCCSC(F)C(=O)[O-] 62a_100020610796_200000034859 [0,0,0,0,0,2|1,0,1]=4 918 B11R0.29 NC(=O)NCCSC(F)C(=O)[O-] 62a_200000034859_100020610796 [0,0,0,0,0,2|1,0,1]=4 919 B11R0.29 NC(=O)OCCOC(F)C(=O)N 7a_100000766696_100009813875 [0,0,0,0,0,2|2,0,0]=4 920 B11R0.29 NC(=O)OCCSC(F)C(=O)N 62a_100009813875_200011214921 [0,0,0,0,0,2|2,0,0]=4 921 B11R0.29 NC(=O)OCCSC(F)C(=O)N 62a_200011214921_100009813875 [0,0,0,0,0,2|2,0,0]=4 922 B11R0.29 NC(=O)OCCSC(F)C(=O)[O-] 62a_100020610796_200011214921 [0,0,0,0,0,2|1,0,1]=4 923 B11R0.29 NC(=O)OCCSC(F)C(=O)[O-] 62a_200011214921_100020610796 [0,0,0,0,0,2|1,0,1]=4