0 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,0,0,0,0,0|3,1,0]=4 5 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.56 O=C(O)CNCC(F)(F)F 269956a_100016091260_100000763148 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|0,1,1]=3 24 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.31 CN(CC(=O)O)CS(=O)(=O)N 269956a_100000746989_100000741382 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.31 CN(CC(=O)O)CS(=O)(=O)[O-] 269956a_100000746989_100009817235 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,1,0,0,0,0|3,0,0]=4 29 B10R0.65 CC(C)(CO)CNCC(=O)O 269956a_100016091260_100009813988 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.65 COC(C)(C)CNCC(=O)O 269956a_100016091260_100000701081 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,0|3,0,0]=4 32 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,1,0,0,0,0|1,0,2]=4 34 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,0,0,1,0,0|3,0,0]=4 35 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,0,0,0,0,1|3,0,0]=4 36 B10R0.15 CC(C)(O)CNOCC(=O)O 269956a_100000106656_100000764493 [0,0,0,0,0,1|3,0,0]=4 37 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [0,0,0,0,0,1|2,0,1]=4 38 B10R0.15 NS(=O)(=O)CNOCC(=O)O 269956a_100000106656_100000741382 [0,0,0,0,0,1|2,0,1]=4 39 B10R0.15 O=C(O)CNCCS(=O)(=O)[O-] 269956a_100016091260_100000762736 [0,0,0,0,0,1|1,0,2]=4 40 B10R0.15 O=C(O)CONCS(=O)(=O)[O-] 269956a_100000106656_100009817235 [0,0,0,0,0,1|1,0,2]=4 41 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [1,1,0,0,0,0|0,1,1]=4 78 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [1,1,0,0,0,0|0,1,1]=4 81 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [1,1,0,0,0,0|2,0,0]=4 83 B11R0.213 COC(C)(CNCC(=O)O)OC 269956a_100016091260_100000766008 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.213 COP(=O)(COCC(=O)N)OC 34a_100000101693_100000187820 [0,2,0,0,0,0|2,0,0]=4 85 B11R0.213 COP(=O)(COCC(=O)[O-])OC 34a_100000101693_100020667443 [0,2,0,0,0,0|1,0,1]=4 86 B11R0.213 CO[Si](C)(CNCC(=O)O)OC 269956a_100016091260_100000067953 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|2,0,0]=4 89 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|2,0,0]=4 90 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 91 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,1|2,0,0]=4 92 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [1,0,0,0,0,1|2,0,0]=4 93 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [1,0,0,0,0,1|2,0,0]=4 94 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|2,0,0]=4 95 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,1|2,0,0]=4 96 B9R0.55 O=C(O)CONC[N+](=O)[O-] 269956a_100000106656_100000761209 [1,0,0,0,0,1|0,1,1]=4 97 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,1|1,0,1]=4