0 B12R0.41 C=C(C)CN(CC(=C)C)CC(=O)N 2230a_100012017102_100000747473 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.41 C=C(C)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000748629 [0,0,0,0,0,0|3,0,0]=3 2 B12R0.41 C=C(F)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100009893438 [0,0,0,0,0,0|3,0,0]=3 3 B12R0.41 CC(C)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210760 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.41 CC(O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100011218427 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.41 CC(O)CN(CC(=O)N)CC(C)O 2230a_100011218400_100000747473 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.41 CC(O)CN(CC(=O)N)CC(C)O 269982a_100011218400_100000187820 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.41 C[C@@H](O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100009817552 [0,0,0,0,0,0|2,0,1]=3 8 B12R0.41 NC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000747473 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.41 NC(=O)CN(CC(=O)N)CC(F)F 2230a_100000232323_100011934356 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.35 C#CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000038162 [1,0,0,0,0,0|2,0,1]=4 11 B11R0.35 C#CCN(CC(=O)N)CC(=O)O 269956a_100011236498_100000187820 [1,0,0,0,0,0|1,0,1]=3 12 B11R0.35 C#CCN(CC(=O)[O-])CC(=O)O 269956a_100011236498_100020667443 [1,0,0,0,0,0|1,0,2]=4 13 B11R0.35 C=C(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748629 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.35 C=C(F)CN(CCO)CC(=O)O 269956a_100000747938_100000042424 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.35 C=CCN(CC(=C)Br)CC(=O)N 2230a_100011364060_100000747473 [1,0,0,0,0,0|3,0,0]=4 16 B11R0.35 C=CCN(CC(=C)C)CC(=O)O 269956a_100000744315_100000748629 [1,0,0,0,0,0|3,0,0]=4 17 B11R0.35 C=CCN(CC(=C)F)CC(=O)O 269956a_100000744315_100000042424 [1,0,0,0,0,0|3,0,0]=4 18 B11R0.35 C=CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210623 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.35 C=CCN(CC(=O)N)CC(=O)O 269956a_100000744315_100000187820 [1,0,0,0,0,0|1,0,0]=2 20 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.35 C=CCN(CC(=O)O)C[N+](=O)[O-] 269956a_100000744315_100000761209 [1,0,0,0,0,0|2,0,1]=4 23 B11R0.35 C=CCN(CC(=O)[O-])CC(=O)O 269956a_100000744315_100020667443 [1,0,0,0,0,0|1,0,1]=3 24 B11R0.35 CC(O)CN(CCO)CC(=O)N 2230a_100000731851_100000747473 [1,0,0,0,0,0|1,0,2]=4 25 B11R0.35 CC(O)CN(CCO)CC(=O)N 269982a_100000731851_100000187820 [1,0,0,0,0,0|1,0,2]=4 26 B11R0.35 CCCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210303 [1,0,0,0,0,0|2,0,1]=4 27 B11R0.35 COCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000766300 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.35 CSCN(CC(=O)N)CC(=O)N 2230a_100000232323_100011218213 [1,0,0,0,0,0|3,0,0]=4 29 B11R0.35 N#CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100011215382 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.35 NC(=O)CN(CC=O)CC(=O)N 2230a_100000232323_200015260668 [1,0,0,0,0,0|1,0,0]=2 31 B11R0.35 NC(=O)CN(CCF)CC(=O)N 2230a_100000232323_100011217306 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.35 NC(=O)CN(CCO)CC(=O)N 2230a_100000232323_100000211926 [1,0,0,0,0,0|1,0,1]=3 33 B11R0.35 NC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000187820 [1,0,0,0,0,0|0,0,1]=2 34 B11R0.35 O=C(O)CN(CCO)C[N+](=O)[O-] 269956a_100000747938_100000761209 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.35 O=C([O-])CN(CCO)CC(=O)O 269956a_100000747938_100020667443 [1,0,0,0,0,0|1,0,1]=3 36 B13R0.52 CC(=O)C(C)N(CC(=O)N)CC(=O)N 2230a_100000232323_100009814033 [0,1,0,0,0,0|2,0,0]=3 37 B13R0.52 CC(C(=O)N)N(CC(=O)N)CC(=O)N 2230a_100000232323_100000702099 [0,1,0,0,0,0|2,0,0]=3 38 B13R0.52 NC(=O)CN(CC(=O)N)C(F)C(=O)N 2230a_100000232323_100009813875 [0,1,0,0,0,0|2,0,0]=3 39 B13R0.197 C=C(C#N)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000694840 [0,1,0,0,0,0|3,0,0]=4 40 B13R0.197 C=CC(O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000730141 [0,1,0,0,0,0|2,0,1]=4 41 B13R0.197 CCC(O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100011218378 [0,1,0,0,0,0|2,0,1]=4 42 B13R0.197 CNC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000183359 [0,1,0,0,0,0|2,0,0]=3 43 B13R0.197 COC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000747449 [0,1,0,0,0,0|1,0,0]=2 44 B13R0.197 C[C@@H](CO)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000059175 [0,1,0,0,0,0|2,0,1]=4 45 B13R0.197 NC(=O)CN(CC(=O)N)CC(O)CO 2230a_100000232323_100011219619 [0,1,0,0,0,0|1,0,2]=4 46 B13R0.197 NC(=O)CN(CC(=O)N)C[C@@H](O)CF 2230a_100000232323_100015614560 [0,1,0,0,0,0|2,0,1]=4 47 B13R0.197 NC(=O)CN(CC(=O)N)C[C@@H](O)CO 2230a_100000232323_100009815848 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000747473 [0,0,0,1,0,0|2,0,1]=4 49 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000187820 [0,0,0,1,0,0|2,0,1]=4 50 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000187820 [0,0,0,1,0,0|2,0,1]=4 51 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000187820 [0,0,0,1,0,0|1,0,1]=3 52 B13R1.3487 NC(=O)[C@@H]1C[C@H](CN1CC(=O)[O-])O 269982a_100020587027_100020667443 [0,0,0,1,0,0|1,0,2]=4 53 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100020667443 [0,0,0,1,0,0|2,0,1]=4 54 B13R1.5121 NC(=O)CN(CC(=O)N)CC1CO1 2230a_100000232323_100011216344 [0,0,0,1,0,0|2,0,1]=4 55 B11R0.32 CC(=O)N(CC(=O)N)CC(=O)N 11a_100000232323_100015343762 [0,0,0,0,1,0|2,0,0]=3 56 B11R0.32 CC(=O)N(CC(=O)N)CC(=O)N 1626a_100000232323_100015343762 [0,0,0,0,1,0|2,0,0]=3 57 B13R0.177 C=C(C)CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000730704 [0,0,0,0,0,1|3,0,0]=4 58 B13R0.177 CC(=CCN(CC(=O)N)CC(=O)N)C 2230a_100000232323_100000761012 [0,0,0,0,0,1|3,0,0]=4 59 B13R0.177 CC(O)CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100012276601 [0,0,0,0,0,1|2,0,1]=4 60 B13R0.177 NC(=O)CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000744528 [0,0,0,0,0,1|2,0,0]=3 61 B10R0.70 CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210202 [2,0,0,0,0,0|1,0,1]=4 62 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [2,0,0,0,0,0|0,0,1]=3 63 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [2,0,0,0,0,0|0,0,2]=4 64 B10R0.70 NC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000187820 [2,0,0,0,0,0|0,0,1]=3 65 B10R0.70 O=C([O-])CN(CO)CC(=O)[O-] 269956a_100016989150_100020667443 [2,0,0,0,0,0|1,0,1]=4 66 B10R0.79 C#CCN(CC=O)CC(=O)O 269956a_100011236498_200015260668 [2,0,0,0,0,0|1,0,1]=4 67 B10R0.79 C=CCN(CC=C)CC(=O)N 2230a_100000210471_100000747473 [2,0,0,0,0,0|2,0,0]=4 68 B10R0.79 C=CCN(CC=C)CC(=O)N 269982a_100000210471_100000187820 [2,0,0,0,0,0|2,0,0]=4 69 B10R0.79 C=CCN(CC=C)CC(=O)O 269956a_100000744315_100000210623 [2,0,0,0,0,0|2,0,0]=4 70 B10R0.79 C=CCN(CC=O)CC(=O)O 269956a_100000744315_200015260668 [2,0,0,0,0,0|1,0,0]=3 71 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000744315_100000211926 [2,0,0,0,0,0|1,0,1]=4 72 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000747938_100000210623 [2,0,0,0,0,0|1,0,1]=4 73 B10R0.79 NC(=O)CN(CCO)CCO 2230a_100000210587_100000747473 [2,0,0,0,0,0|0,0,2]=4 74 B10R0.79 NC(=O)CN(CCO)CCO 269982a_100000210587_100000187820 [2,0,0,0,0,0|0,0,2]=4 75 B10R0.79 O=CCN(CCO)CC(=O)O 269956a_100000747938_200015260668 [2,0,0,0,0,0|0,0,1]=3 76 B12R0.53 C=CCN(CC(=O)O)C(C)C(=O)C 269956a_100000744315_100009814033 [1,1,0,0,0,0|2,0,0]=4 77 B12R0.53 CC(=O)C(C)N(CCO)CC(=O)O 269956a_100000747938_100009814033 [1,1,0,0,0,0|1,0,1]=4 78 B12R0.53 CC(C(=O)O)N(CCO)CC(=O)N 269956a_100011300695_100000187820 [1,1,0,0,0,0|0,0,1]=3 79 B12R0.53 CC(C(=O)O)N(CCO)CC(=O)[O-] 269956a_100011300695_100020667443 [1,1,0,0,0,0|1,0,1]=4 80 B12R0.180 CC(CO)N(CC(=O)N)CC(=O)N 2230a_100000232323_100012180447 [1,1,0,0,0,0|1,0,1]=4 81 B12R0.242 C=CCCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000754431 [1,1,0,0,0,0|2,0,0]=4 82 B12R0.242 CC=CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000070051 [1,1,0,0,0,0|2,0,0]=4 83 B12R0.242 COCCN(CC(=O)N)CC(=O)N 2230a_100000232323_100011201679 [1,1,0,0,0,0|1,0,1]=4 84 B12R0.242 N#CCCN(CC(=O)N)CC(=O)O 269956a_100011218032_100000187820 [1,1,0,0,0,0|1,0,1]=4 85 B12R0.242 NC(=O)CN(CCCO)CC(=O)N 2230a_100000232323_100000230001 [1,1,0,0,0,0|1,0,1]=4 86 B12R0.398 C=CCN(CC(=O)O)CS(=O)(=O)N 269956a_100000744315_100000741382 [1,1,0,0,0,0|2,0,0]=4 87 B12R0.398 NS(=O)(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000741382 [1,1,0,0,0,0|1,0,1]=4 88 B12R0.399 C#CCN(CC(=O)O)CC(=O)NC 269956a_100011236498_100000183359 [1,1,0,0,0,0|1,0,1]=4 89 B12R0.399 C#CCN(CC(=O)O)CC(=O)OC 269956a_100011236498_100000747449 [1,1,0,0,0,0|1,0,1]=4 90 B12R0.399 C=CCN(CC(=O)O)CC(=O)CC 269956a_100000744315_100000747405 [1,1,0,0,0,0|2,0,0]=4 91 B12R0.399 C=CCN(CC(=O)O)CC(=O)NC 269956a_100000744315_100000183359 [1,1,0,0,0,0|1,0,0]=3 92 B12R0.399 C=CCN(CC(=O)O)CC(=O)OC 269956a_100000744315_100000747449 [1,1,0,0,0,0|1,0,0]=3 93 B12R0.399 CCC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000747405 [1,1,0,0,0,0|1,0,1]=4 94 B12R0.399 CNC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000183359 [1,1,0,0,0,0|0,0,1]=3 95 B12R0.399 COC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000747449 [1,1,0,0,0,0|0,0,2]=4 96 B14R0.530 CNC(=O)CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000737683 [0,1,0,0,0,1|2,0,0]=4 97 B14R0.530 COC(=O)CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000204255 [0,1,0,0,0,1|1,0,0]=3 98 B14R0.127 CCC(=O)C(C)N(CC(=O)N)CC(=O)N 2230a_100000232323_100000742827 [0,2,0,0,0,0|2,0,0]=4 99 B14R0.127 CNC(=O)C(C)N(CC(=O)N)CC(=O)N 2230a_100000232323_100000731044 [0,2,0,0,0,0|2,0,0]=4 100 B14R0.127 CNC(=O)C(F)N(CC(=O)N)CC(=O)N 2230a_100000232323_100009813575 [0,2,0,0,0,0|2,0,0]=4 101 B14R0.127 COC(=O)C(=O)N(CC(=O)N)CC(=O)N 11a_100000232323_100000024059 [0,2,0,0,0,0|1,0,1]=4 102 B14R0.127 COC(=O)C(=O)N(CC(=O)N)CC(=O)N 1626a_100000232323_100000024059 [0,2,0,0,0,0|1,0,1]=4 103 B14R0.127 COC(=O)C(C)N(CC(=O)N)CC(=O)N 2230a_100000232323_100000211248 [0,2,0,0,0,0|1,0,0]=3 104 B14R0.2090 CCC(C(=O)N)N(CC(=O)N)CC(=O)N 2230a_100000232323_100000750255 [0,2,0,0,0,0|2,0,0]=4 105 B14R0.3404 CC(C)(C(=O)N)N(CC(=O)N)CC(=O)N 2230a_100000232323_100000702505 [0,2,0,0,0,0|2,0,0]=4 106 B14R0.28 C=COC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000036128 [0,2,0,0,0,0|1,0,0]=3 107 B14R0.28 CCCC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000747444 [0,2,0,0,0,0|2,0,0]=4 108 B14R0.28 CCNC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000183381 [0,2,0,0,0,0|2,0,0]=4 109 B14R0.28 CCOC(=O)CN(CC(=O)N)CC(=O)N 2230a_100000232323_100000188475 [0,2,0,0,0,0|1,0,0]=3 110 B14R0.28 NC(=O)CN(CC(=O)N)CC(=O)NCO 2230a_100000232323_100000185155 [0,2,0,0,0,0|1,0,0]=3 111 B14R0.1458 C=C(C)CN(CC(=O)OC)CC(=O)OC 2230a_100000750971_100000748629 [0,2,0,0,0,0|2,0,0]=4 112 B14R0.1458 C=C(F)CN(CC(=O)OC)CC(=O)OC 2230a_100000750971_100009893438 [0,2,0,0,0,0|2,0,0]=4 113 B14R0.1458 COC(=O)CN(CC(=O)N)CC(=O)OC 2230a_100000750971_100000747473 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.101 CC(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_200000210301 [1,0,0,1,0,0|2,0,0]=4 115 B12R1.101 [13CH3]C(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_200025704644 [1,0,0,1,0,0|2,0,0]=4 116 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CC=O)O 2230a_100020587027_200015260668 [1,0,0,1,0,0|1,0,1]=4 117 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CC=O)O 269982a_100020587027_200015260668 [1,0,0,1,0,0|1,0,1]=4 118 B12R1.276 O=CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200015260668 [1,0,0,1,0,0|1,0,1]=4 119 B12R1.392 NC(=O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000187820 [1,0,0,1,0,0|1,0,0]=3 120 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [1,0,0,1,0,0|1,0,1]=4 121 B12R1.392 NC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000187820 [1,0,0,1,0,0|0,1,1]=4 122 B12R1.392 NC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000187820 [1,0,0,1,0,0|2,0,0]=4 123 B12R1.392 O=C([O-])CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100020667443 [1,0,0,1,0,0|1,0,1]=4 124 B14R1.4349 NC(=O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000744528 [0,0,0,1,0,1|1,0,1]=4 125 B14R1.164 NC(=O)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000187820 [0,1,0,1,0,0|1,0,1]=4 126 B14R1.724 C=C1C[C@H](N(C1)CC(=O)N)C(=O)OC 2230a_100025771018_100000747473 [0,1,0,1,0,0|2,0,0]=4 127 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(=O)N)O 2230a_100000753705_100000747473 [0,1,0,1,0,0|1,0,1]=4 128 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(=O)N)O 269982a_100000753705_100000187820 [0,1,0,1,0,0|1,0,1]=4 129 B14R1.3299 CNC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000183359 [0,1,0,1,0,0|1,0,1]=4 130 B14R1.3299 COC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000747449 [0,1,0,1,0,0|1,0,1]=4 131 B14R1.3299 COC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000747449 [0,1,0,1,0,0|1,0,1]=4 132 B12R0.52 C#CCN(CCC(=O)N)CC(=O)O 269956a_100011236498_100000744528 [1,0,0,0,0,1|1,0,1]=4 133 B12R0.52 C=CCN(CCC(=O)C)CC(=O)O 269956a_100000744315_100000053229 [1,0,0,0,0,1|2,0,0]=4 134 B12R0.52 C=CCN(CCC(=O)N)CC(=O)O 269956a_100000744315_100000744528 [1,0,0,0,0,1|1,0,0]=3 135 B12R0.52 C=CCN(COC(=O)C)CC(=O)O 269956a_100000744315_100000076356 [1,0,0,0,0,1|2,0,0]=4 136 B12R0.52 CC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000053229 [1,0,0,0,0,1|1,0,1]=4 137 B12R0.52 CC(=O)OCN(CCO)CC(=O)O 269956a_100000747938_100000076356 [1,0,0,0,0,1|1,0,1]=4 138 B12R0.52 NC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000744528 [1,0,0,0,0,1|0,0,1]=3 139 B14R0.548 CC(=O)NCCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000189650 [0,0,0,0,0,2|2,0,0]=4 140 B14R0.548 NC(=O)CN(CCNC(=O)N)CC(=O)N 2230a_100000232323_200000034859 [0,0,0,0,0,2|2,0,0]=4