0 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100015343762 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 527a_100000763158_100103153847 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.255 CC(C)(CC(=O)N)NC(=O)CO 240690a_100000763158_100000210174 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.255 CC(C)(CC(=O)N)NC(=O)CO 527a_100000763158_100000210174 [0,1,0,0,0,0|3,0,0]=4 18 B11R0.232 C=C(C)CNC(C)(C)CC(=O)O 269956a_100000755897_100000748629 [0,0,0,0,0,1|3,0,0]=4 19 B11R0.232 C=C(F)CNC(C)(C)CC(=O)O 269956a_100000755897_100000042424 [0,0,0,0,0,1|3,0,0]=4 20 B11R0.232 CC(=O)CC(C)(C)OCC(=O)N 7a_100000210262_100000187820 [0,0,0,0,0,1|3,0,0]=4 21 B11R0.232 CC(C)(CC(=O)N)NCC(=O)N 2230a_100000763158_100000747473 [0,0,0,0,0,1|3,0,0]=4 22 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,0,0,0,0,1|2,0,0]=3 23 B11R0.232 CC(C)(CC(=O)O)NCC(=O)[O-] 269956a_100000755897_100020667443 [0,0,0,0,0,1|1,0,1]=3 24 B11R0.232 CC(C)(CC(=O)O)NC[N+](=O)[O-] 269956a_100000755897_100000761209 [0,0,0,0,0,1|2,0,1]=4 25 B11R0.232 CC(O)CNC(C)(C)CC(=O)O 269956a_100000755897_100011218427 [0,0,0,0,0,1|2,0,1]=4 26 B11R0.232 C[C@@H](O)CNC(C)(C)CC(=O)O 269956a_100000755897_100009817552 [0,0,0,0,0,1|2,0,1]=4 27 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [1,1,0,0,0,0|2,0,0]=4 48 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [1,1,0,0,0,0|1,0,0]=3 49 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000198492_100000747473 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747449 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [1,1,0,0,0,0|1,0,0]=3 53 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [1,1,0,0,0,0|2,0,0]=4 54 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.122 C=CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210623 [1,1,0,0,0,0|2,0,0]=4 57 B10R0.122 CC(=O)CC(C)(C)OCC=O 7a_100000210262_200015260668 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.122 CC(C)(CC(=O)N)NCC=O 2230a_100000763158_200015260668 [1,1,0,0,0,0|2,0,0]=4 59 B10R0.122 CC(C)(CC(=O)O)NCC=O 269956a_100000755897_200015260668 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.47 COC(=O)CC(C)(C)C(=O)C 1458a_100000720384_200000210301 [0,1,0,0,1,0|2,0,0]=4 62 B10R0.47 COC(=O)CC(C)(C)C(=O)[13CH3] 1458a_100000720384_200025704644 [0,1,0,0,1,0|2,0,0]=4 63 B12R0.482 COC(=O)CC(C)(C)OCC(=O)N 7a_100015205050_100000187820 [0,1,0,0,0,1|2,0,0]=4 64 B12R0.505 CCC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000747405 [0,1,0,0,0,1|2,0,0]=4 65 B12R0.505 CNC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000183359 [0,1,0,0,0,1|2,0,0]=4 66 B12R0.505 COC(=O)CNC(C)(C)CC(=O)N 2230a_100000763158_100000747449 [0,1,0,0,0,1|2,0,0]=4 67 B12R0.505 COC(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000747449 [0,1,0,0,0,1|1,0,0]=3 68 B12R0.505 COC(=O)COC(C)(C)CC(=O)C 7a_100000210262_100000747449 [0,1,0,0,0,1|2,0,0]=4 69 B12R0.695 CC(=O)C(C)NC(C)(C)CC(=O)O 269956a_100000755897_100009814033 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [1,0,0,1,0,0|2,0,0]=4 72 B12R1.3521 COC(=O)CC1(CC1)CC(=O)C 1458a_100000070787_100000727233 [0,1,0,1,0,0|2,0,0]=4 73 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [1,0,0,0,0,1|2,0,0]=4 74 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [1,0,0,0,0,1|2,0,0]=4 75 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [1,0,0,0,0,1|2,0,0]=4 76 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [1,0,0,0,0,1|2,0,0]=4 77 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [1,0,0,0,0,1|2,0,0]=4 78 B10R0.43 CC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000075568 [0,0,0,0,1,1|2,0,0]=4 79 B12R0.697 CC(=O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000053229 [0,0,0,0,0,2|2,0,0]=4 80 B12R0.697 CC(=O)OCNC(C)(C)CC(=O)O 269956a_100000755897_100000076356 [0,0,0,0,0,2|2,0,0]=4 81 B12R0.697 CC(C)(CC(=O)O)NCCC(=O)N 269956a_100000755897_100000744528 [0,0,0,0,0,2|2,0,0]=4