0 B11R1.645 CC(=O)CN1CC(=O)NC1=O 1458a_100000754098_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.645 CC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200000210301 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.645 CC(=O)CN1N=C(CC1=O)C 1458a_200011836517_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.645 CC1=NN(C(=O)C1)CC(=O)[13CH3] 1458a_200011836517_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.645 [13CH3]C(=O)CN1CC(=O)NC1=O 1458a_100000754098_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.645 [13CH3]C(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200025704644 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.54 C=C(C)CN1CCC(C1)O 2230a_100011215560_100000748629 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.54 C=C(C)CN1CCC(C1)O 269982a_100011215560_100000748629 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.54 C=C(F)CN1CCC(C1)O 2230a_100011215560_100009893438 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.54 C=C(F)CN1CCC(C1)O 269982a_100011215560_100009893438 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.54 NC(=O)CN1CCC(C1)O 2230a_100011215560_100000747473 [1,0,0,0,0,0|0,0,1]=2 16 B10R1.54 NC(=O)CN1CCC(C1)O 269982a_100011215560_100000187820 [1,0,0,0,0,0|0,0,1]=2 17 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747473 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000187820 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000187820 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.54 O=C([O-])CN1CCC(C1)O 269982a_100011215560_100020667443 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 269982a_100015203821_100020667443 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 34a_100015203821_100020667443 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.54 O=[N+]([O-])CN1CCC(C1)O 269982a_100011215560_100000761209 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.64 CC(=O)CN1CCN=C1N 1458a_100000032790_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.64 CN(C)CN1CCCC1=O 269982a_100102631434_100000026320 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.64 [13CH3]C(=O)CN1CCN=C1N 1458a_100000032790_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.65 N#C[C@@H]1C[C@@H](CN1CC(=O)N)F 2230a_100020587076_100000747473 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.65 N#C[C@@H]1C[C@@H](CN1CC(=O)N)F 34a_100020587076_100000187820 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.65 NC(=O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000747473 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.65 NC(=O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000187820 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.65 NC(=O)CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000747473 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.65 NC(=O)CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000187820 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.65 NC(=O)CN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000187820 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.65 O=C([O-])CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100020667443 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.532 CCC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_100000210202 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.532 CNC(=O)CN1CC(=O)NC1=O 240690a_100102657272_100000754098 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.532 CNC(=O)CN1CC(=O)NC1=O 527a_100102657272_100000754098 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.532 CNC(=O)CN1C[C@H](CC1=O)O 240690a_100102657272_100015189430 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.532 CNC(=O)CN1N=C(CC1=O)C 240690a_100102657272_200011836517 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.532 CNC(=O)CN1N=C(CC1=O)C 527a_100102657272_200011836517 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.532 O=C(CF)CN1C[C@H](CC1=O)O 1458a_100015189430_100015361967 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.3 C=CCC(C)COCC(=O)N 34a_100009832082_100000187820 [0,0,1,0,0,0|3,0,0]=4 60 B10R0.3 C=CCC(C)COCC(=O)N 7a_100009832082_100000187820 [0,0,1,0,0,0|3,0,0]=4 61 B10R0.3 C=CC[C@@H](N)COCC(=O)N 34a_100020615467_100000187820 [0,0,1,0,0,0|3,0,0]=4 62 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,0,1,0,0,0|2,0,1]=4 63 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [0,0,1,0,0,0|2,0,0]=3 64 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [0,0,1,0,0,0|2,0,0]=3 65 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,0,1,0,0,0|3,0,0]=4 66 B10R0.3 COCC(O)CNCC(=O)[O-] 34a_100000756049_100020667443 [0,0,1,0,0,0|3,0,0]=4 67 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [0,0,1,0,0,0|3,0,0]=4 68 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [0,0,1,0,0,0|3,0,0]=4 69 B10R0.3 N#CC[C@H](O)CNCC(=O)N 2230a_100000711301_100000001066 [0,0,1,0,0,0|1,0,1]=3 70 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,0,1,0,0,0|2,0,1]=4 71 B10R0.3 N#CC[C@H](O)CSCC(=O)N 62a_100000001066_100000747473 [0,0,1,0,0,0|2,0,1]=4 72 B10R0.3 N#CC[C@H](O)CSCC(=O)N 62a_100000747473_100000001066 [0,0,1,0,0,0|2,0,1]=4 73 B10R0.23 CC(=O)N(CCO)CC(C)C 240690a_100015185251_100015343762 [0,0,1,0,0,0|2,0,1]=4 74 B10R0.23 CC(=O)N(CCO)CC(C)C 527a_100015185251_100103153847 [0,0,1,0,0,0|2,0,1]=4 75 B10R0.23 CC(=O)N(CCO)CC(C)O 240690a_100000731851_100015343762 [0,0,1,0,0,0|1,0,2]=4 76 B10R0.23 CC(=O)N(CCO)CC(C)O 527a_100000731851_100103153847 [0,0,1,0,0,0|1,0,2]=4 77 B10R0.23 CC(C)N(CCO)CC(=O)N 2230a_100000224655_100000747473 [0,0,1,0,0,0|1,0,1]=3 78 B10R0.23 CC(C)N(CCO)CC(=O)N 269982a_100000224655_100000187820 [0,0,1,0,0,0|1,0,1]=3 79 B10R0.23 CC(C)N(CCO)CC(=O)O 269956a_100000747938_100000210206 [0,0,1,0,0,0|2,0,1]=4 80 B10R0.23 CC(C)N(CCO)CC(=O)[O-] 269982a_100000224655_100020667443 [0,0,1,0,0,0|2,0,1]=4 81 B10R0.23 CCCN(CC(=O)N)C(C)C 2230a_106256033942_100000747473 [0,0,1,0,0,0|2,0,1]=4 82 B10R0.23 CCCN(CC(=O)N)C(C)C 269982a_106256033942_100000187820 [0,0,1,0,0,0|2,0,1]=4 83 B10R0.32 C#CCC(=O)N(C)CC(=O)N 527a_100000739694_100011220946 [0,0,1,0,0,0|1,0,1]=3 84 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,0,1,0,0,0|3,0,0]=4 85 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,0,1,0,0,0|3,0,0]=4 86 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,0,1,0,0,0|3,0,0]=4 87 B10R0.32 C=CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210193 [0,0,1,0,0,0|1,0,1]=3 88 B10R0.32 C=CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210193 [0,0,1,0,0,0|1,0,1]=3 89 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,0,1,0,0,0|3,0,0]=4 90 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,0,1,0,0,0|3,0,0]=4 91 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,0,1,0,0,0|3,0,0]=4 92 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,0,1,0,0,0|2,0,1]=4 93 B10R0.32 CC(CCO)N(C)CC(=O)N 2230a_100000731037_100000747473 [0,0,1,0,0,0|1,0,1]=3 94 B10R0.32 CC(CCO)N(C)CC(=O)N 2230a_100000739694_100009893172 [0,0,1,0,0,0|1,0,1]=3 95 B10R0.32 CC(CCO)N(C)CC(=O)N 269982a_100000731037_100000187820 [0,0,1,0,0,0|1,0,1]=3 96 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,0,1,0,0,0|2,0,1]=4 97 B10R0.32 CC(CCO)N(C)CC(=O)[O-] 269982a_100000731037_100020667443 [0,0,1,0,0,0|2,0,1]=4 98 B10R0.32 CC(O)CN(C)C(=O)CCO 240690a_100000227577_100011216618 [0,0,1,0,0,0|1,0,2]=4 99 B10R0.32 CC=CC(=O)N(C)CC(=O)N 11a_100000739694_100000210699 [0,0,1,0,0,0|1,0,2]=4 100 B10R0.32 CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000211992 [0,0,1,0,0,0|1,0,0]=2 101 B10R0.32 CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000211992 [0,0,1,0,0,0|1,0,0]=2 102 B10R0.32 CCCC(C)N(C)CC(=O)N 2230a_100000739694_100000766640 [0,0,1,0,0,0|2,0,1]=4 103 B10R0.32 CCCC(C)N(C)CC(=O)N 270004a_100000739694_100000211909 [0,0,1,0,0,0|2,0,1]=4 104 B10R0.32 CCNC(=O)N(C)CC(=O)N 2708a_100015525214_100000739694 [0,0,1,0,0,0|2,0,0]=3 105 B10R0.32 CCNC(=O)N(C)CC(=O)N 273464a_100015525214_100000739694 [0,0,1,0,0,0|2,0,0]=3 106 B10R0.32 CN(CC(=O)N)C(=O)C=CCl 11a_100000739694_200016279998 [0,0,1,0,0,0|1,0,2]=4 107 B10R0.32 CN(CC(=O)O)C(=O)CN[13CH3] 269956a_100011216108_200025704644 [0,0,1,0,0,0|3,0,0]=4 108 B10R0.32 CNCC(=O)N(C)CC(=O)O 269956a_100011216108_200000210301 [0,0,1,0,0,0|3,0,0]=4 109 B10R0.32 COCC(=O)N(C)CC(=O)N 11a_100000739694_100000210968 [0,0,1,0,0,0|2,0,0]=3 110 B10R0.32 COCC(=O)N(C)CC(=O)N 527a_100000739694_100000210968 [0,0,1,0,0,0|2,0,0]=3 111 B10R0.32 CSCC(=O)N(C)CC(=O)N 11a_100000739694_100000184570 [0,0,1,0,0,0|2,0,0]=3 112 B10R0.32 CSCC(=O)N(C)CC(=O)N 527a_100000739694_100000184570 [0,0,1,0,0,0|2,0,0]=3 113 B10R0.70 CC(O)CN(CO)CC(=O)[O-] 269956a_100016989150_100011218427 [0,0,1,0,0,0|1,0,2]=4 114 B10R0.70 CCN(CC(=O)N)CC(C)C 2230a_100000738554_100000747473 [0,0,1,0,0,0|2,0,1]=4 115 B10R0.70 CCN(CC(=O)N)CC(C)C 269982a_100000738554_100000187820 [0,0,1,0,0,0|2,0,1]=4 116 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 2230a_100000729506_100000747473 [0,0,1,0,0,0|1,0,1]=3 117 B10R0.70 CCN(CC(=O)N)C[C@H](C)O 269982a_100000729506_100000187820 [0,0,1,0,0,0|1,0,1]=3 118 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [0,0,1,0,0,0|2,0,1]=4 119 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [0,0,1,0,0,0|2,0,1]=4 120 B10R0.70 CCN(CC(=O)[O-])C[C@H](C)O 269982a_100000729506_100020667443 [0,0,1,0,0,0|2,0,1]=4 121 B10R0.70 C[C@@H](O)CN(CO)CC(=O)[O-] 269956a_100016989150_100009817552 [0,0,1,0,0,0|1,0,2]=4 122 B10R0.96 C=C(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748629 [0,0,1,0,0,0|2,0,1]=4 123 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,0,1,0,0,0|3,0,0]=4 124 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,0,1,0,0,0|3,0,0]=4 125 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,0,1,0,0,0|3,0,0]=4 126 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,0,1,0,0,0|3,0,0]=4 127 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,0,1,0,0,0|3,0,0]=4 128 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,0,1,0,0,0|3,0,0]=4 129 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,0,1,0,0,0|2,0,0]=3 130 B10R0.96 CC(=CC(=O)NCC(=O)N)C 11a_100000711301_100000211388 [0,0,1,0,0,0|1,0,2]=4 131 B10R0.96 CC(=CC(=O)NCC(=O)N)C 240690a_100000711301_100000211388 [0,0,1,0,0,0|1,0,2]=4 132 B10R0.96 CC(=CC(=O)NCC(=O)N)Cl 11a_100000711301_200042562850 [0,0,1,0,0,0|1,0,2]=4 133 B10R0.96 CC(=CC(=O)NCC(=O)N)Cl 240690a_100000711301_200042562850 [0,0,1,0,0,0|1,0,2]=4 134 B10R0.96 CC(=CC(=O)NCC(=O)N)I 11a_100000711301_100025716642 [0,0,1,0,0,0|1,0,2]=4 135 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,0,1,0,0,0|2,0,0]=3 136 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,0,1,0,0,0|3,0,0]=4 137 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189765_100000210554 [0,0,1,0,0,0|3,0,0]=4 138 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189787_100000070787 [0,0,1,0,0,0|3,0,0]=4 139 B10R0.96 CC(=O)NNC(=O)C[C@@H](C)O 22a_100000189765_100011933948 [0,0,1,0,0,0|2,0,0]=3 140 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,0,1,0,0,0|3,0,0]=4 141 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,0,1,0,0,0|3,0,0]=4 142 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,0,1,0,0,0|2,0,0]=3 143 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,0,1,0,0,0|3,0,0]=4 144 B10R0.96 CC(C)CC(=O)NCC(=O)N 11a_100000711301_100000210554 [0,0,1,0,0,0|1,0,0]=2 145 B10R0.96 CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000210554 [0,0,1,0,0,0|1,0,0]=2 146 B10R0.96 CC(C)CC(=O)NCC(=O)N 527a_100000711301_100000210554 [0,0,1,0,0,0|1,0,0]=2 147 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,0,1,0,0,0|2,0,0]=3 148 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000692259_100000747473 [0,0,1,0,0,0|2,0,1]=4 149 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000711301_100000731052 [0,0,1,0,0,0|2,0,1]=4 150 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,0,1,0,0,0|2,0,1]=4 151 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,0,1,0,0,0|3,0,0]=4 152 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,0,1,0,0,0|3,0,0]=4 153 B10R0.96 CC(C)NC(=O)NCC(=O)N 2708a_100138425928_100000711301 [0,0,1,0,0,0|2,0,0]=3 154 B10R0.96 CC(C)NC(=O)NCC(=O)N 273464a_100138425928_100000711301 [0,0,1,0,0,0|2,0,0]=3 155 B10R0.96 CC(C)NC(=O)NCC(=O)N 512a_100138425928_100000711301 [0,0,1,0,0,0|2,0,0]=3 156 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,0,1,0,0,0|1,0,0]=2 157 B10R0.96 CC(O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011218427 [0,0,1,0,0,0|3,0,0]=4 158 B10R0.96 CC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218427 [0,0,1,0,0,0|2,0,0]=3 159 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000227577_100000744528 [0,0,1,0,0,0|3,0,0]=4 160 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218427 [0,0,1,0,0,0|3,0,0]=4 161 B10R0.96 CC(O)CN(C)CCC(=O)N 269982a_100000227577_100000744528 [0,0,1,0,0,0|3,0,0]=4 162 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,0,1,0,0,0|1,0,2]=4 163 B10R0.96 CN(C)CC(=O)NCC(=O)N 11a_100000711301_100000750896 [0,0,1,0,0,0|2,0,0]=3 164 B10R0.96 CN(C)CC(=O)NCC(=O)N 240690a_100000711301_100000750896 [0,0,1,0,0,0|2,0,0]=3 165 B10R0.96 CN(C)CC(=O)NCC(=O)N 527a_100000711301_100000750896 [0,0,1,0,0,0|2,0,0]=3 166 B10R0.96 C[C@@H](O)CC(=O)NCC(=O)N 240690a_100000711301_100011933948 [0,0,1,0,0,0|0,0,0]=1 167 B10R0.96 C[C@@H](O)CC(=O)NCC(F)F 240690a_100000765723_100011933948 [0,0,1,0,0,0|2,0,1]=4 168 B10R0.96 C[C@@H](O)CN(C)CCC(=O)N 2230a_100000730477_100009817552 [0,0,1,0,0,0|3,0,0]=4 169 B10R0.96 C[S+](C)CC(=O)NCC(=O)N 11a_100000711301_200159257847 [0,0,1,0,0,0|2,0,0]=3 170 B10R0.96 C[S+](C)CC(=O)NCC(=O)N 240690a_100000711301_200159257847 [0,0,1,0,0,0|2,0,0]=3 171 B10R0.96 C[S+](C)CC(=O)NCC(=O)N 527a_100000711301_200159257847 [0,0,1,0,0,0|2,0,0]=3 172 B10R0.96 NC(=O)CCC(=O)CC(F)F 1458a_100011215257_100011934356 [0,0,1,0,0,0|3,0,0]=4 173 B10R0.96 NC(=O)CNC(=O)CC(=O)N 240690a_100000711301_100134613110 [0,0,1,0,0,0|1,0,2]=4 174 B10R0.96 NC(=O)CNC(=O)CC(=O)N 527a_100000711301_100134613110 [0,0,1,0,0,0|1,0,2]=4 175 B12R2.1661 NC(=O)CN1CC2C=CC1C2 2230a_100000732668_100000747473 [0,0,0,1,0,0|2,0,1]=4 176 B12R2.1661 NC(=O)CN1CC2C=CC1C2 269982a_100000732668_100000187820 [0,0,0,1,0,0|2,0,1]=4 177 B12R2.1661 NC(=O)CN1CC2C=CC1C2 34a_100000732668_100000187820 [0,0,0,1,0,0|2,0,1]=4 178 B12R2.1661 NC(=O)CN1CC2CCC1C2 2230a_100000743476_100000747473 [0,0,0,1,0,0|2,0,1]=4 179 B12R2.1661 NC(=O)CN1CC2CCC1C2 269982a_100000743476_100000187820 [0,0,0,1,0,0|2,0,1]=4 180 B12R2.1661 NC(=O)CN1CC2CCC1C2 34a_100000743476_100000187820 [0,0,0,1,0,0|2,0,1]=4 181 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000747473 [0,0,0,1,0,0|1,0,1]=3 182 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000187820 [0,0,0,1,0,0|1,0,1]=3 183 B12R2.1661 NC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000187820 [0,0,0,1,0,0|1,0,1]=3 184 B12R2.1661 O=C([O-])CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100020667443 [0,0,0,1,0,0|2,0,1]=4 185 B12R2.1661 O=C([O-])CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100020667443 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,0,0,0,1,0|3,0,0]=4 187 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,0,0,0,1,0|3,0,0]=4 188 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,0,0,0,1,0|3,0,0]=4 189 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,0,0,0,1,0|3,0,0]=4 190 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 2230a_206633788156_100000747473 [0,0,0,0,1,0|1,0,1]=3 191 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 269982a_206633788156_100000187820 [0,0,0,0,1,0|1,0,1]=3 192 B10R1.80 C[C@H]1[C@H](CN1CC(=O)[O-])O 269982a_206633788156_100020667443 [0,0,0,0,1,0|2,0,1]=4 193 B12R1.101 CC1CC(CN(C1)CC(=O)N)C 2230a_100000210448_100000747473 [0,0,0,0,0,1|2,0,1]=4 194 B12R1.101 CC1CC(CN(C1)CC(=O)N)C 269982a_100000210448_100000187820 [0,0,0,0,0,1|2,0,1]=4 195 B12R1.101 CC1CC(CN(C1)CC(=O)N)C 34a_100000210448_100000187820 [0,0,0,0,0,1|2,0,1]=4 196 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)N 2230a_100016991869_100000747473 [0,0,0,0,0,1|2,0,1]=4 197 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)N 269982a_100016991869_100000187820 [0,0,0,0,0,1|2,0,1]=4 198 B12R1.127 C[C@@H]1CN([C@@H](CO1)C)CC(=O)N 34a_100016991869_100000187820 [0,0,0,0,0,1|2,0,1]=4 199 B12R1.861 CC1CC(C(=O)O1)NCC(=O)N 2230a_100000711301_200000216747 [0,0,0,0,0,1|3,0,0]=4 200 B12R1.861 CC1CC(C(=O)O1)SCC(=O)N 62a_100000747473_200000216747 [0,0,0,0,0,1|3,0,0]=4 201 B12R1.861 CC1CC(C(=O)O1)SCC(=O)N 62a_200000216747_100000747473 [0,0,0,0,0,1|3,0,0]=4 202 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [1,0,1,0,0,0|0,0,1]=3 203 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [1,0,1,0,0,0|1,0,1]=4 204 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [1,0,1,0,0,0|1,0,1]=4 205 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [1,0,1,0,0,0|1,0,1]=4 206 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [1,0,1,0,0,0|1,0,1]=4 207 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [1,0,1,0,0,0|1,0,1]=4 208 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [1,0,1,0,0,0|1,0,1]=4 209 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [1,0,1,0,0,0|0,0,1]=3 210 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [1,0,1,0,0,0|0,0,1]=3 211 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,0,1,0,0,0|1,0,1]=4 212 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [1,0,1,0,0,0|1,0,1]=4 213 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [1,0,1,0,0,0|1,0,1]=4 214 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [1,0,1,0,0,0|1,0,1]=4 215 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [1,0,1,0,0,0|1,0,1]=4 216 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [1,0,1,0,0,0|0,0,1]=3 217 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [1,0,1,0,0,0|1,0,1]=4 218 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [1,0,1,0,0,0|1,0,0]=3 219 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [1,0,1,0,0,0|0,0,1]=3 220 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [1,0,1,0,0,0|0,0,1]=3 221 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [1,0,1,0,0,0|1,0,1]=4 222 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [1,0,1,0,0,0|1,0,1]=4 223 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [1,0,1,0,0,0|2,0,0]=4 224 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [1,0,1,0,0,0|2,0,0]=4 225 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [1,0,1,0,0,0|1,0,1]=4 226 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [1,0,1,0,0,0|1,0,1]=4 227 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [1,0,1,0,0,0|1,0,1]=4 228 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [1,0,1,0,0,0|2,0,0]=4 229 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [1,0,1,0,0,0|1,0,1]=4 230 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [1,0,1,0,0,0|1,0,1]=4 231 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [1,0,1,0,0,0|1,0,1]=4 232 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [1,0,1,0,0,0|1,0,0]=3 233 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [1,0,1,0,0,0|1,0,0]=3 234 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [1,0,1,0,0,0|1,0,0]=3 235 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,1,0,0,0|2,0,0]=4 236 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [1,0,1,0,0,0|2,0,0]=4 237 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [1,0,1,0,0,0|2,0,0]=4 238 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [1,0,1,0,0,0|2,0,0]=4 239 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [1,0,1,0,0,0|2,0,0]=4 240 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [1,0,1,0,0,0|2,0,0]=4 241 B9R0.2 C=COCCNCC(=O)N 2230a_100000711301_100000039644 [1,0,1,0,0,0|2,0,0]=4 242 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,1,0,0,0|1,0,1]=4 243 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,1,0,0,0|1,0,1]=4 244 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,1,0,0,0|2,0,0]=4 245 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,1,0,0,0|2,0,0]=4 246 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,1,0,0,0|2,0,0]=4 247 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [1,0,1,0,0,0|1,0,1]=4 248 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [1,0,1,0,0,0|2,0,0]=4 249 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,0,1,0,0,0|2,0,0]=4 250 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,0,1,0,0,0|2,0,0]=4 251 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [1,0,1,0,0,0|0,0,0]=2 252 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,0,1,0,0,0|1,0,1]=4 253 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,1,0,0,0|0,0,2]=4 254 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,1,0,0,0|0,0,2]=4 255 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,1,0,0,0|0,0,2]=4 256 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [1,0,1,0,0,0|1,0,0]=3 257 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [1,0,1,0,0,0|1,0,0]=3 258 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,1,0,0,0|1,0,0]=3 259 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [1,0,1,0,0,0|2,0,0]=4 260 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [1,0,1,0,0,0|2,0,0]=4 261 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [1,0,1,0,0,0|2,0,0]=4 262 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [1,0,1,0,0,0|2,0,0]=4 263 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,0,1,0,0,0|1,0,1]=4 264 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,0,1,0,0,0|1,0,1]=4 265 B9R0.14 CCN(CC=O)C[C@H](C)O 2230a_100000729506_200015260668 [1,0,1,0,0,0|1,0,1]=4 266 B9R0.14 CCN(CC=O)C[C@H](C)O 269982a_100000729506_200015260668 [1,0,1,0,0,0|1,0,1]=4 267 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [1,0,1,0,0,0|0,0,1]=3 268 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [1,0,1,0,0,0|0,0,1]=3 269 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [1,0,1,0,0,0|1,0,1]=4 270 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [1,0,1,0,0,0|1,0,1]=4 271 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [1,0,1,0,0,0|1,0,1]=4 272 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [1,0,1,0,0,0|0,0,2]=4 273 B9R0.15 CC(C)N(CC=O)CCO 2230a_100000224655_200015260668 [1,0,1,0,0,0|1,0,1]=4 274 B9R0.15 CC(C)N(CC=O)CCO 269982a_100000224655_200015260668 [1,0,1,0,0,0|1,0,1]=4 275 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [1,0,1,0,0,0|1,0,1]=4 276 B9R0.39 C=C(C)CN(CC)C(=O)C 11a_100000211296_100015343762 [1,0,1,0,0,0|2,0,0]=4 277 B9R0.39 C=C(C)CN(CC)C(=O)C 1626a_100000211296_100015343762 [1,0,1,0,0,0|2,0,0]=4 278 B9R0.39 C=C(C)CN(CC)C(=O)C 527a_100000211296_100103153847 [1,0,1,0,0,0|2,0,0]=4 279 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [1,0,1,0,0,0|2,0,0]=4 280 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [1,0,1,0,0,0|2,0,0]=4 281 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [1,0,1,0,0,0|1,0,1]=4 282 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [1,0,1,0,0,0|1,0,1]=4 283 B9R0.4 C#CCNC(=O)C[C@@H](C)O 240690a_100000212058_100011933948 [1,0,1,0,0,0|1,0,1]=4 284 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [1,0,1,0,0,0|2,0,0]=4 285 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [1,0,1,0,0,0|2,0,0]=4 286 B9R0.4 C=CCNC(=O)CC(C)C 1626a_100020586998_100000210554 [1,0,1,0,0,0|2,0,0]=4 287 B9R0.4 C=CCNC(=O)CC(C)C 240690a_100020586998_100000210554 [1,0,1,0,0,0|2,0,0]=4 288 B9R0.4 C=CCNC(=O)CC(C)C 527a_100020586998_100000210554 [1,0,1,0,0,0|2,0,0]=4 289 B9R0.4 C=CCNC(=O)C[C@@H](C)O 240690a_100020586998_100011933948 [1,0,1,0,0,0|1,0,0]=3 290 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,0,1,0,0,0|1,0,1]=4 291 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,0,1,0,0,0|1,0,1]=4 292 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,0,1,0,0,0|1,0,1]=4 293 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,0,1,0,0,0|1,0,1]=4 294 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [1,0,1,0,0,0|1,0,1]=4 295 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [1,0,1,0,0,0|0,0,1]=3 296 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [1,0,1,0,0,0|0,0,1]=3 297 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [1,0,1,0,0,0|0,0,1]=3 298 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,0,1,0,0,0|1,0,1]=4 299 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [1,0,1,0,0,0|1,0,1]=4 300 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [1,0,1,0,0,0|1,0,1]=4 301 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [1,0,1,0,0,0|0,0,2]=4 302 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [1,0,1,0,0,0|2,0,0]=4 303 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [1,0,1,0,0,0|2,0,0]=4 304 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [1,0,1,0,0,0|2,0,0]=4 305 B9R0.23 C=C(C)CN(C)C(=O)CO 527a_100000225649_100000210174 [1,0,1,0,0,0|2,0,0]=4 306 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000693034_100000747473 [1,0,1,0,0,0|1,0,1]=4 307 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000739694_100012180447 [1,0,1,0,0,0|1,0,1]=4 308 B9R0.23 CC(CO)N(C)CC(=O)N 269982a_100000693034_100000187820 [1,0,1,0,0,0|1,0,1]=4 309 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [1,0,1,0,0,0|0,0,0]=2 310 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [1,0,1,0,0,0|0,0,0]=2 311 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [1,0,1,0,0,0|1,0,1]=4 312 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [1,0,1,0,0,0|1,0,1]=4 313 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [1,0,1,0,0,0|1,0,1]=4 314 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [1,0,1,0,0,0|0,0,0]=2 315 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [1,0,1,0,0,0|1,0,0]=3 316 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [1,0,1,0,0,0|1,0,0]=3 317 B9R0.35 C=CCC(C)C(=O)CCO 1458a_100011216819_100000211926 [1,0,1,0,0,0|2,0,0]=4 318 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [1,0,1,0,0,0|2,0,0]=4 319 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [1,0,1,0,0,0|2,0,0]=4 320 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [1,0,1,0,0,0|2,0,0]=4 321 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [1,0,1,0,0,0|2,0,0]=4 322 B9R0.35 C=CCN(C)C(=O)CCO 240690a_100000225617_100011216618 [1,0,1,0,0,0|1,0,0]=3 323 B9R0.35 CC(CCO)N(C)CC=O 2230a_100000731037_200015260668 [1,0,1,0,0,0|1,0,1]=4 324 B9R0.35 CC(CCO)N(C)CC=O 269982a_100000731037_200015260668 [1,0,1,0,0,0|1,0,1]=4 325 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [1,0,1,0,0,0|1,0,1]=4 326 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [1,0,1,0,0,0|0,0,2]=4 327 B9R0.48 C#CCC(=O)NCC(=O)N 527a_100000711301_100011220946 [1,0,1,0,0,0|0,0,2]=4 328 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [1,0,1,0,0,0|2,0,0]=4 329 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [1,0,1,0,0,0|2,0,0]=4 330 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [1,0,1,0,0,0|2,0,0]=4 331 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [1,0,1,0,0,0|2,0,0]=4 332 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [1,0,1,0,0,0|2,0,0]=4 333 B9R0.48 C=CCC(=O)NCC(=O)N 11a_100000711301_100000210193 [1,0,1,0,0,0|0,0,2]=4 334 B9R0.48 C=CCC(=O)NCC(=O)N 240690a_100000711301_100000210193 [1,0,1,0,0,0|0,0,2]=4 335 B9R0.48 C=CCC(=O)NCC(=O)N 527a_100000711301_100000210193 [1,0,1,0,0,0|0,0,2]=4 336 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [1,0,1,0,0,0|2,0,0]=4 337 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [1,0,1,0,0,0|1,0,1]=4 338 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [1,0,1,0,0,0|0,0,2]=4 339 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [1,0,1,0,0,0|0,0,2]=4 340 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,0,1,0,0,0|1,0,0]=3 341 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [1,0,1,0,0,0|2,0,0]=4 342 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [1,0,1,0,0,0|0,0,0]=2 343 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [1,0,1,0,0,0|0,0,0]=2 344 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [1,0,1,0,0,0|0,0,0]=2 345 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [1,0,1,0,0,0|2,0,0]=4 346 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [1,0,1,0,0,0|2,0,0]=4 347 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,0,1,0,0,0|2,0,0]=4 348 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [1,0,1,0,0,0|1,0,1]=4 349 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [1,0,1,0,0,0|1,0,1]=4 350 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [1,0,1,0,0,0|2,0,0]=4 351 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [1,0,1,0,0,0|2,0,0]=4 352 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [1,0,1,0,0,0|1,0,0]=3 353 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [1,0,1,0,0,0|1,0,0]=3 354 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [1,0,1,0,0,0|1,0,0]=3 355 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [1,0,1,0,0,0|1,0,0]=3 356 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,0,1,0,0,0|2,0,0]=4 357 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,0,1,0,0,0|2,0,0]=4 358 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [1,0,1,0,0,0|2,0,0]=4 359 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [1,0,1,0,0,0|2,0,0]=4 360 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [1,0,1,0,0,0|2,0,0]=4 361 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [1,0,1,0,0,0|1,0,0]=3 362 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [1,0,1,0,0,0|1,0,0]=3 363 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [1,0,1,0,0,0|1,0,0]=3 364 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [1,0,1,0,0,0|1,0,0]=3 365 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [1,0,1,0,0,0|1,0,0]=3 366 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [1,0,1,0,0,0|1,0,0]=3 367 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [1,0,1,0,0,0|1,0,1]=4 368 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [1,0,1,0,0,0|1,0,1]=4 369 B9R0.48 N#CCC(=O)NCC(=O)N 240690a_100000711301_100051588842 [1,0,1,0,0,0|1,0,1]=4 370 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [1,0,1,0,0,0|2,0,0]=4 371 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [1,0,1,0,0,0|1,0,0]=3 372 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [1,0,1,0,0,0|0,0,0]=2 373 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [1,0,1,0,0,0|2,0,0]=4 374 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [1,0,1,0,0,0|2,0,0]=4 375 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [1,0,1,0,0,0|2,0,0]=4 376 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [1,0,1,0,0,0|2,0,0]=4 377 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [1,0,1,0,0,0|1,0,1]=4 378 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [1,0,1,0,0,0|1,0,1]=4 379 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [1,0,1,0,0,0|1,0,1]=4 380 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [1,0,1,0,0,0|1,0,1]=4 381 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [1,0,1,0,0,0|1,0,0]=3 382 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [1,0,1,0,0,0|0,0,1]=3 383 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [1,0,1,0,0,0|0,0,1]=3 384 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [1,0,1,0,0,0|0,0,1]=3 385 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [1,0,1,0,0,0|1,0,1]=4 386 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [1,0,1,0,0,0|1,0,1]=4 387 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [1,0,1,0,0,0|1,0,0]=3 388 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [1,0,1,0,0,0|2,0,0]=4 389 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [1,0,1,0,0,0|0,0,1]=3 390 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [1,0,1,0,0,0|1,0,1]=4 391 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,0,1,0,0,0|1,0,1]=4 392 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,0,1,0,0,0|0,0,1]=3 393 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,0,1,0,0,0|0,0,1]=3 394 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,1,0,0,0|1,0,1]=4 395 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,0,1,0,0,0|1,0,1]=4 396 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,0,1,0,0,0|1,0,1]=4 397 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [1,0,1,0,0,0|2,0,0]=4 398 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [1,0,1,0,0,0|2,0,0]=4 399 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,0,1,0,0,0|2,0,0]=4 400 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,0,1,0,0,0|2,0,0]=4 401 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,0,1,0,0,0|2,0,0]=4 402 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,0,1,0,0,0|2,0,0]=4 403 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,0,1,0,0,0|2,0,0]=4 404 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,0,1,0,0,0|2,0,0]=4 405 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,0,1,0,0,0|2,0,0]=4 406 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,0,1,0,0,0|2,0,0]=4 407 B9R1.7 C=CCN1CCC(C1)O 2230a_100011215560_100000210623 [2,0,0,0,0,0|1,0,1]=4 408 B9R1.7 C=CCN1CCC(C1)O 269982a_100011215560_100000210623 [2,0,0,0,0,0|1,0,1]=4 409 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [2,0,0,0,0,0|1,0,1]=4 410 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [2,0,0,0,0,0|1,0,1]=4 411 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [2,0,0,0,0,0|1,0,1]=4 412 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [2,0,0,0,0,0|0,0,1]=3 413 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [2,0,0,0,0,0|0,0,1]=3 414 B9R1.7 O=CCN1CC[C@@H](C1)F 2230a_100015203821_200015260668 [2,0,0,0,0,0|1,0,1]=4 415 B9R1.7 O=CCN1CC[C@@H](C1)F 269982a_100015203821_200015260668 [2,0,0,0,0,0|1,0,1]=4 416 B9R1.7 O=CCN1CC[C@@H](C1)F 34a_100015203821_200009817547 [2,0,0,0,0,0|1,0,1]=4 417 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [2,0,0,0,0,0|1,0,1]=4 419 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [2,0,0,0,0,0|0,0,1]=3 420 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [2,0,0,0,0,0|0,0,1]=3 421 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [2,0,0,0,0,0|1,0,1]=4 422 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [2,0,0,0,0,0|1,0,1]=4 423 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [2,0,0,0,0,0|1,0,1]=4 424 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [2,0,0,0,0,0|1,0,1]=4 426 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [2,0,0,0,0,0|1,0,1]=4 429 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [2,0,0,0,0,0|1,0,1]=4 430 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [2,0,0,0,0,0|1,0,1]=4 431 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [2,0,0,0,0,0|1,0,1]=4 432 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [2,0,0,0,0,0|1,0,1]=4 433 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [2,0,0,0,0,0|2,0,0]=4 435 B11R0.1 CN(CC(=O)N)C[C@@H](O)CC#N 2230a_100000739694_100000001066 [0,1,1,0,0,0|1,0,1]=4 436 B11R0.1 COCC(O)CN(C)CC(=O)N 2230a_100000739405_100000747473 [0,1,1,0,0,0|2,0,0]=4 437 B11R0.1 COCC(O)CN(C)CC(=O)N 269982a_100000739405_100000187820 [0,1,1,0,0,0|2,0,0]=4 438 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,1,1,0,0,0|2,0,0]=4 439 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,1,1,0,0,0|2,0,0]=4 440 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,1,1,0,0,0|0,0,0]=2 441 B11R0.6 O=C(O)CC(O)CNC[N+](=O)[O-] 269956a_100011218706_100000761209 [0,1,1,0,0,0|2,0,0]=4 442 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,1,1,0,0,0|1,0,0]=3 443 B11R0.141 COCC(O)CNC(C)C(=O)N 2230a_100000756049_100000702099 [0,1,1,0,0,0|2,0,0]=4 444 B11R0.141 COCC(O)CNC(C)C(=O)N 34a_100000756049_100000702099 [0,1,1,0,0,0|2,0,0]=4 445 B11R0.141 COCC(O)CNC(F)C(=O)N 2230a_100000756049_100009813875 [0,1,1,0,0,0|2,0,0]=4 446 B11R0.141 COCC(O)CNC(F)C(=O)N 34a_100000756049_100009813875 [0,1,1,0,0,0|2,0,0]=4 447 B11R0.141 COCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011215053 [0,1,1,0,0,0|2,0,0]=4 448 B11R0.141 C[C@@H](NC[C@@H](O)CC#N)C(=O)N 2230a_100000119354_100000001066 [0,1,1,0,0,0|1,0,1]=4 449 B11R0.147 CCOCC(O)CNCC(=O)N 2230a_102515437182_100000747473 [0,1,1,0,0,0|1,0,1]=4 450 B11R0.147 CCOCC(O)CNCC(=O)N 34a_102515437182_100000187820 [0,1,1,0,0,0|1,0,1]=4 451 B11R0.174 CNC(=O)CNCC(O)COC 2230a_100000756049_100000183359 [0,1,1,0,0,0|2,0,0]=4 452 B11R0.174 CNC(=O)CNCC(O)COC 34a_100000756049_100000183359 [0,1,1,0,0,0|2,0,0]=4 453 B11R0.174 CNC(=O)CNC[C@@H](O)CC#N 2230a_100000693194_100000001066 [0,1,1,0,0,0|1,0,1]=4 454 B11R0.32 CC(=O)N(CC(=O)N)CC(=O)N 11a_100000232323_100015343762 [0,1,1,0,0,0|0,0,2]=4 455 B11R0.32 CC(=O)N(CC(=O)N)CC(=O)N 1626a_100000232323_100015343762 [0,1,1,0,0,0|0,0,2]=4 456 B11R0.44 CC(C)N(CCO)C(C)C(=O)N 2230a_100000224655_100000702099 [0,1,1,0,0,0|1,0,1]=4 457 B11R0.44 CC(C)N(CCO)C(C)C(=O)N 269982a_100000224655_100000184083 [0,1,1,0,0,0|1,0,1]=4 458 B11R0.44 CC(C)N(CCO)C(F)C(=O)N 2230a_100000224655_100009813875 [0,1,1,0,0,0|1,0,1]=4 459 B11R0.44 CC(C)N(CCO)C(F)C(=O)N 269982a_100000224655_100009813875 [0,1,1,0,0,0|1,0,1]=4 460 B11R0.160 CC(C)N(CCCO)CC(=O)N 2230a_100000182298_100000747473 [0,1,1,0,0,0|1,0,1]=4 461 B11R0.160 CC(C)N(CCCO)CC(=O)N 269982a_100000182298_100000187820 [0,1,1,0,0,0|1,0,1]=4 462 B11R0.160 COCCN(CC(=O)N)C(C)C 2230a_200000223778_100000747473 [0,1,1,0,0,0|1,0,1]=4 463 B11R0.160 COCCN(CC(=O)N)C(C)C 269982a_200000223778_100000187820 [0,1,1,0,0,0|1,0,1]=4 464 B11R0.160 NC(=O)C[C@H](NCCO)C(=O)N 2230a_100000143228_100000211926 [0,1,1,0,0,0|2,0,0]=4 465 B11R0.235 CC(C)(C)N(CCO)CC(=O)N 2230a_100011215626_100000747473 [0,1,1,0,0,0|1,0,1]=4 466 B11R0.235 CC(C)(C)N(CCO)CC(=O)N 269982a_100011215626_100000187820 [0,1,1,0,0,0|1,0,1]=4 467 B11R0.236 CNC(=O)CN(CCO)C(C)C 2230a_100000224655_100000183359 [0,1,1,0,0,0|1,0,1]=4 468 B11R0.236 CNC(=O)CN(CCO)C(C)C 269982a_100000224655_100000183359 [0,1,1,0,0,0|1,0,1]=4 469 B11R0.43 C#CCC(=O)N(C)CC(=O)NC 527a_100000189611_100011220946 [0,1,1,0,0,0|1,0,1]=4 470 B11R0.43 C=CCC(=O)N(C)CC(=O)NC 11a_100000189611_100000210193 [0,1,1,0,0,0|1,0,1]=4 471 B11R0.43 C=CCC(=O)N(C)CC(=O)NC 240690a_100000189611_100000210193 [0,1,1,0,0,0|1,0,1]=4 472 B11R0.43 C=CCC(=O)N(C)CC(=O)NC 527a_100000189611_100000210193 [0,1,1,0,0,0|1,0,1]=4 473 B11R0.43 CCCC(=O)N(C)CC(=O)NC 11a_100000189611_100000211992 [0,1,1,0,0,0|1,0,0]=3 474 B11R0.43 CCCC(=O)N(C)CC(=O)NC 240690a_100000189611_100000211992 [0,1,1,0,0,0|1,0,0]=3 475 B11R0.43 CCCC(=O)N(C)CC(=O)NC 527a_100000189611_100000211992 [0,1,1,0,0,0|1,0,0]=3 476 B11R0.43 CCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000211992 [0,1,1,0,0,0|2,0,0]=4 477 B11R0.43 CCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000211992 [0,1,1,0,0,0|2,0,0]=4 478 B11R0.43 CCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000211992 [0,1,1,0,0,0|2,0,0]=4 479 B11R0.43 CCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000211992 [0,1,1,0,0,0|2,0,0]=4 480 B11R0.43 CCNC(=O)N(C)CC(=O)NC 2708a_100015525214_100000189611 [0,1,1,0,0,0|2,0,0]=4 481 B11R0.43 CNC(=O)CN(C)C(=O)CC#N 240690a_100000189611_100051588842 [0,1,1,0,0,0|1,0,1]=4 482 B11R0.43 CNC(=O)CN(C)C(=O)CCO 240690a_100000189611_100011216618 [0,1,1,0,0,0|0,0,0]=2 483 B11R0.43 CNC(=O)CN(C)C(=O)COC 11a_100000189611_100000210968 [0,1,1,0,0,0|2,0,0]=4 484 B11R0.43 CNC(=O)CN(C)C(=O)COC 240690a_100000189611_100000210968 [0,1,1,0,0,0|2,0,0]=4 485 B11R0.43 CNC(=O)CN(C)C(=O)COC 527a_100000189611_100000210968 [0,1,1,0,0,0|2,0,0]=4 486 B11R0.43 CNC(=O)CN(C)C(=O)CSC 11a_100000189611_100000184570 [0,1,1,0,0,0|2,0,0]=4 487 B11R0.43 CNC(=O)CN(C)C(=O)CSC 240690a_100000189611_100000184570 [0,1,1,0,0,0|2,0,0]=4 488 B11R0.43 CNC(=O)CN(C)C(=O)CSC 527a_100000189611_100000184570 [0,1,1,0,0,0|2,0,0]=4 489 B11R0.43 CNC(=O)CN(C)C(C)CCO 2230a_100000189611_100009893172 [0,1,1,0,0,0|1,0,1]=4 490 B11R0.43 CNC(=O)CN(C)C(C)CCO 2230a_100000731037_100000183359 [0,1,1,0,0,0|1,0,1]=4 491 B11R0.43 CNC(=O)CN(C)C(C)CCO 269982a_100000731037_100000183359 [0,1,1,0,0,0|1,0,1]=4 492 B11R0.43 COC(=O)CC(C)C(=O)CCO 1458a_100000037256_100000211926 [0,1,1,0,0,0|2,0,0]=4 493 B11R0.43 COC(=O)CN(C)C(=O)CCO 240690a_100000198492_100011216618 [0,1,1,0,0,0|1,0,0]=3 494 B11R0.56 CCC(NC(=O)N)C(=O)CCO 1458a_100000203762_100000211926 [0,1,1,0,0,0|2,0,0]=4 495 B11R0.56 CCN(CC(=O)N)C(C)CCO 2230a_100011935059_100000747473 [0,1,1,0,0,0|1,0,1]=4 496 B11R0.56 CCN(CC(=O)N)C(C)CCO 269982a_100011935059_100000187820 [0,1,1,0,0,0|1,0,1]=4 497 B11R0.58 CC(CCO)N(C)C(C)C(=O)N 2230a_100000731037_100000702099 [0,1,1,0,0,0|1,0,1]=4 498 B11R0.58 CC(CCO)N(C)C(C)C(=O)N 269982a_100000731037_100000184083 [0,1,1,0,0,0|1,0,1]=4 499 B11R0.58 CC(CCO)N(C)C(F)C(=O)N 2230a_100000731037_100009813875 [0,1,1,0,0,0|1,0,1]=4 500 B11R0.58 CC(CCO)N(C)C(F)C(=O)N 269982a_100000731037_100009813875 [0,1,1,0,0,0|1,0,1]=4 501 B11R0.63 C=CC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100011216780 [0,1,1,0,0,0|1,0,1]=4 502 B11R0.63 C=CC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100011216780 [0,1,1,0,0,0|1,0,1]=4 503 B11R0.63 CC(C#N)C(=O)N(C)CC(=O)N 11a_100000739694_100000753662 [0,1,1,0,0,0|1,0,1]=4 504 B11R0.63 CC(C#N)C(=O)N(C)CC(=O)N 527a_100000739694_100000753662 [0,1,1,0,0,0|1,0,1]=4 505 B11R0.63 CCC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100011192722 [0,1,1,0,0,0|1,0,0]=3 506 B11R0.63 CCC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100011192722 [0,1,1,0,0,0|1,0,0]=3 507 B11R0.63 COC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100000743197 [0,1,1,0,0,0|2,0,0]=4 508 B11R0.63 COC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100000743197 [0,1,1,0,0,0|2,0,0]=4 509 B11R0.63 CSC(C)C(=O)N(C)CC(=O)N 11a_100000739694_100000149566 [0,1,1,0,0,0|2,0,0]=4 510 B11R0.63 CSC(C)C(=O)N(C)CC(=O)N 527a_100000739694_100000149566 [0,1,1,0,0,0|2,0,0]=4 511 B11R0.68 C#CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000692101 [0,1,1,0,0,0|1,0,0]=3 512 B11R0.68 C#CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000692101 [0,1,1,0,0,0|1,0,0]=3 513 B11R0.68 C#CCNC(=O)N(C)CC(=O)N 2708a_100000212058_100000739694 [0,1,1,0,0,0|1,0,1]=4 514 B11R0.68 C#CCNC(=O)N(C)CC(=O)N 273464a_100000212058_100000739694 [0,1,1,0,0,0|1,0,1]=4 515 B11R0.68 C=C(C)CN(C)C(=O)CCOC 11a_100000225649_100000749529 [0,1,1,0,0,0|2,0,0]=4 516 B11R0.68 C=C(C)CN(C)C(=O)CCOC 1626a_100000225649_100000749529 [0,1,1,0,0,0|2,0,0]=4 517 B11R0.68 C=C(C)CN(C)C(=O)CCOC 527a_100000225649_100000749529 [0,1,1,0,0,0|2,0,0]=4 518 B11R0.68 C=C(C)CN(C)C(=O)NCCO 273464a_100000210304_100000225649 [0,1,1,0,0,0|2,0,0]=4 519 B11R0.68 C=CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000749702 [0,1,1,0,0,0|1,0,0]=3 520 B11R0.68 C=CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000749702 [0,1,1,0,0,0|1,0,0]=3 521 B11R0.68 C=CCNC(=O)N(C)CC(=O)N 273464a_100020586998_100000739694 [0,1,1,0,0,0|1,0,1]=4 522 B11R0.68 CC=CCC(=O)N(C)CC(=O)N 11a_100000739694_100121576822 [0,1,1,0,0,0|1,0,1]=4 523 B11R0.68 CC=CCC(=O)N(C)CC(=O)N 527a_100000739694_100121576822 [0,1,1,0,0,0|1,0,1]=4 524 B11R0.68 CCC=CC(=O)N(C)CC(=O)N 11a_100000739694_100000212282 [0,1,1,0,0,0|1,0,1]=4 525 B11R0.68 CCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000210183 [0,1,1,0,0,0|1,0,0]=3 526 B11R0.68 CCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000210183 [0,1,1,0,0,0|1,0,0]=3 527 B11R0.68 CCCNC(=O)N(C)CC(=O)N 2708a_100020643023_100000739694 [0,1,1,0,0,0|1,0,0]=3 528 B11R0.68 CCCNC(=O)N(C)CC(=O)N 273464a_100020643023_100000739694 [0,1,1,0,0,0|1,0,0]=3 529 B11R0.68 CCNCC(=O)N(C)CC(=O)O 269956a_100011216108_100000210202 [0,1,1,0,0,0|2,0,0]=4 530 B11R0.68 CCOCC(=O)N(C)CC(=O)N 11a_100000739694_100000211967 [0,1,1,0,0,0|1,0,0]=3 531 B11R0.68 CCOCC(=O)N(C)CC(=O)N 527a_100000739694_100000211967 [0,1,1,0,0,0|1,0,0]=3 532 B11R0.68 CCSCC(=O)N(C)CC(=O)N 11a_100000739694_100000230394 [0,1,1,0,0,0|1,0,0]=3 533 B11R0.68 CCSCC(=O)N(C)CC(=O)N 527a_100000739694_100000230394 [0,1,1,0,0,0|1,0,0]=3 534 B11R0.68 CN(CC(=O)N)C(=O)CCC#N 11a_100000739694_100011934036 [0,1,1,0,0,0|1,0,0]=3 535 B11R0.68 CN(CC(=O)N)C(=O)CCC#N 527a_100000739694_100011934036 [0,1,1,0,0,0|1,0,0]=3 536 B11R0.68 CN(CC(=O)N)C(=O)CN=[N+]=[N-] 11a_100000739694_100000751907 [0,1,1,0,0,0|2,0,0]=4 537 B11R0.68 CN(CC(=O)N)C(=O)NCC#N 2708a_100000734998_100000739694 [0,1,1,0,0,0|1,0,1]=4 538 B11R0.68 CN(CC(=O)N)C(=O)NCC#N 273464a_100000734998_100000739694 [0,1,1,0,0,0|1,0,1]=4 539 B11R0.68 CN(CC(=O)N)C(=O)NCCF 273464a_100000724931_100000739694 [0,1,1,0,0,0|1,0,0]=3 540 B11R0.68 CN(CC(=O)N)C(=O)NCCO 273464a_100000210304_100000739694 [0,1,1,0,0,0|0,0,0]=2 541 B11R0.68 CN(CC(=O)O)C(=O)CNCF 269956a_100011216108_100015361967 [0,1,1,0,0,0|2,0,0]=4 542 B11R0.68 COCCC(=O)N(C)CC(=O)N 11a_100000739694_100000749529 [0,1,1,0,0,0|0,0,0]=2 543 B11R0.68 COCCC(=O)N(C)CC(=O)N 527a_100000739694_100000749529 [0,1,1,0,0,0|0,0,0]=2 544 B11R0.68 COCCC(C)N(C)CC(=O)N 270004a_100000739694_100000742357 [0,1,1,0,0,0|1,0,1]=4 545 B11R0.68 CSCCC(=O)N(C)CC(=O)N 11a_100000739694_100000174002 [0,1,1,0,0,0|0,1,0]=3 546 B11R0.68 CSCCC(=O)N(C)CC(=O)N 527a_100000739694_100000174002 [0,1,1,0,0,0|0,1,0]=3 547 B11R0.99 CCCS(=O)(=O)N(C)CC(=O)N 270084a_100000739694_100000211391 [0,1,1,0,0,0|2,0,0]=4 548 B11R0.99 CCCS(=O)(=O)N(C)CC(=O)N 274078a_100000739694_100000211391 [0,1,1,0,0,0|2,0,0]=4 549 B11R0.99 CCCS(=O)(=O)N(C)CC(=O)N 40a_100000739694_100000054278 [0,1,1,0,0,0|2,0,0]=4 550 B11R0.99 CN(CC(=O)N)S(=O)(=O)CCBr 270084a_100000739694_100000731045 [0,1,1,0,0,0|2,0,0]=4 551 B11R0.99 CN(CC(=O)N)S(=O)(=O)CCBr 274078a_100000739694_100000731045 [0,1,1,0,0,0|2,0,0]=4 552 B11R0.99 CN(CC(=O)N)S(=O)(=O)CCCl 270084a_100000739694_100000184613 [0,1,1,0,0,0|2,0,0]=4 553 B11R0.99 CN(CC(=O)N)S(=O)(=O)CCCl 274078a_100000739694_100000184613 [0,1,1,0,0,0|2,0,0]=4 554 B11R0.149 CC(C)CC(=O)N(C)CC(=O)N 11a_100000739694_100000210554 [0,1,1,0,0,0|1,0,0]=3 555 B11R0.149 CC(C)CC(=O)N(C)CC(=O)N 527a_100000739694_100000210554 [0,1,1,0,0,0|1,0,0]=3 556 B11R0.149 CC(C)NC(=O)N(C)CC(=O)N 2708a_100138425928_100000739694 [0,1,1,0,0,0|2,0,0]=4 557 B11R0.149 CC(C)NC(=O)N(C)CC(=O)N 273464a_100138425928_100000739694 [0,1,1,0,0,0|2,0,0]=4 558 B11R0.149 CN(C)CC(=O)N(C)CC(=O)N 11a_100000739694_100000750896 [0,1,1,0,0,0|2,0,0]=4 559 B11R0.149 CN(C)CC(=O)N(C)CC(=O)N 527a_100000739694_100000750896 [0,1,1,0,0,0|2,0,0]=4 560 B11R0.149 CN(CC(=O)N)C(=O)CC(=O)N 527a_100000739694_100134613110 [0,1,1,0,0,0|0,0,2]=4 561 B11R0.149 CN(CC(=O)N)C(=O)C[S+](C)C 11a_100000739694_200159257847 [0,1,1,0,0,0|2,0,0]=4 562 B11R0.149 CN(CC(=O)N)C(=O)C[S+](C)C 527a_100000739694_200159257847 [0,1,1,0,0,0|2,0,0]=4 563 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [0,1,1,0,0,0|2,0,0]=4 564 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [0,1,1,0,0,0|2,0,0]=4 565 B11R0.35 CC(O)CN(CCO)CC(=O)N 2230a_100000731851_100000747473 [0,1,1,0,0,0|0,0,2]=4 566 B11R0.35 CC(O)CN(CCO)CC(=O)N 269982a_100000731851_100000187820 [0,1,1,0,0,0|0,0,2]=4 567 B11R0.91 CCC(O)CN(CC)CC(=O)N 2230a_100011365200_100000747473 [0,1,1,0,0,0|1,0,1]=4 568 B11R0.91 CCC(O)CN(CC)CC(=O)N 269982a_100011365200_100000187820 [0,1,1,0,0,0|1,0,1]=4 569 B11R0.91 CCN(CC(=O)NC)C[C@H](C)O 2230a_100000729506_100000183359 [0,1,1,0,0,0|1,0,1]=4 570 B11R0.91 CCN(CC(=O)NC)C[C@H](C)O 269982a_100000729506_100000183359 [0,1,1,0,0,0|1,0,1]=4 571 B11R0.144 CCN(CC(C)O)C(C)C(=O)N 2230a_100020603310_100011218427 [0,1,1,0,0,0|1,0,1]=4 572 B11R0.144 CCN(CC(C)O)C(C)C(=O)N 269982a_100020603310_100011218427 [0,1,1,0,0,0|1,0,1]=4 573 B11R0.144 CCN(C[C@@H](C)O)C(C)C(=O)N 2230a_100020603310_100009817552 [0,1,1,0,0,0|1,0,1]=4 574 B11R0.144 CCN(C[C@@H](C)O)C(C)C(=O)N 269982a_100020603310_100009817552 [0,1,1,0,0,0|1,0,1]=4 575 B11R0.144 CCN(C[C@H](C)O)C(C)C(=O)N 2230a_100000729506_100000702099 [0,1,1,0,0,0|1,0,1]=4 576 B11R0.144 CCN(C[C@H](C)O)C(C)C(=O)N 269982a_100000729506_100000184083 [0,1,1,0,0,0|1,0,1]=4 577 B11R0.144 CCN(C[C@H](C)O)C(F)C(=O)N 2230a_100000729506_100009813875 [0,1,1,0,0,0|1,0,1]=4 578 B11R0.144 CCN(C[C@H](C)O)C(F)C(=O)N 269982a_100000729506_100009813875 [0,1,1,0,0,0|1,0,1]=4 579 B11R0.274 CCN(CC(=O)N)CC(C)(C)O 2230a_100000755687_100000747473 [0,1,1,0,0,0|1,0,1]=4 580 B11R0.274 CCN(CC(=O)N)CC(C)(C)O 269982a_100000755687_100000187820 [0,1,1,0,0,0|1,0,1]=4 581 B11R0.33 CC(C)CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210554 [0,1,1,0,0,0|1,0,0]=3 582 B11R0.33 CC(C)CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210554 [0,1,1,0,0,0|1,0,0]=3 583 B11R0.33 CC(C)CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210554 [0,1,1,0,0,0|1,0,0]=3 584 B11R0.33 CC(C)NC(=O)N[C@H](C)C(=O)N 273464a_100138425928_100000119354 [0,1,1,0,0,0|2,0,0]=4 585 B11R0.33 CC(C)NC(=O)N[C@H](C)C(=O)N 512a_100000119354_100138425928 [0,1,1,0,0,0|2,0,0]=4 586 B11R0.33 CC(C)NC(=O)N[C@H](C)C(=O)N 512a_100138425928_100000119354 [0,1,1,0,0,0|2,0,0]=4 587 B11R0.33 CC(O)CC(=O)CN(C)C(=O)N 1458a_100000218718_100011218427 [0,1,1,0,0,0|2,0,0]=4 588 B11R0.33 C[C@@H](NC(=O)CN(C)C)C(=O)N 11a_100000119354_100000750896 [0,1,1,0,0,0|2,0,0]=4 589 B11R0.33 C[C@@H](NC(=O)CN(C)C)C(=O)N 240690a_100000119354_100000750896 [0,1,1,0,0,0|2,0,0]=4 590 B11R0.33 C[C@@H](NC(=O)CN(C)C)C(=O)N 527a_100000119354_100000750896 [0,1,1,0,0,0|2,0,0]=4 591 B11R0.33 C[C@@H](NC(=O)C[S+](C)C)C(=O)N 11a_100000119354_200159257847 [0,1,1,0,0,0|2,0,0]=4 592 B11R0.33 C[C@@H](NC(=O)C[S+](C)C)C(=O)N 240690a_100000119354_200159257847 [0,1,1,0,0,0|2,0,0]=4 593 B11R0.33 C[C@@H](NC(=O)C[S+](C)C)C(=O)N 527a_100000119354_200159257847 [0,1,1,0,0,0|2,0,0]=4 594 B11R0.33 C[C@@H](O)CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100011933948 [0,1,1,0,0,0|0,0,0]=2 595 B11R0.34 C=C(C)CNC(=O)CC(C)(C)O 527a_100000765925_100000693243 [0,1,1,0,0,0|2,0,0]=4 596 B11R0.34 CC(=O)CNC(=O)CC(C)(C)C 1458a_100000744057_200000210301 [0,1,1,0,0,0|2,0,0]=4 597 B11R0.34 CC(=O)NNC(=O)CC(C)(C)O 22a_100000189765_100000693243 [0,1,1,0,0,0|2,0,0]=4 598 B11R0.34 CC(C)(C)CC(=O)NCC(=O)N 11a_100000711301_100000211214 [0,1,1,0,0,0|1,0,0]=3 599 B11R0.34 CC(C)(C)CC(=O)NCC(=O)N 240690a_100000711301_100000211214 [0,1,1,0,0,0|1,0,0]=3 600 B11R0.34 CC(C)(C)CC(=O)NCC(=O)N 527a_100000711301_100000211214 [0,1,1,0,0,0|1,0,0]=3 601 B11R0.34 CC(C)(C)CC(=O)NCC(=O)[13CH3] 1458a_100000744057_200025704644 [0,1,1,0,0,0|2,0,0]=4 602 B11R0.34 CC(C)(C)NC(=O)NCC(=O)N 273464a_100000711301_100000715429 [0,1,1,0,0,0|2,0,0]=4 603 B11R0.34 CC(C)(C)NC(=O)NCC(=O)N 273464a_100000715429_100000711301 [0,1,1,0,0,0|2,0,0]=4 604 B11R0.34 CC(C)(C)NC(=O)NCC(=O)N 512a_100000715429_100000711301 [0,1,1,0,0,0|2,0,0]=4 605 B11R0.34 CC(C)(O)CC(=O)NCC(=O)N 527a_100000711301_100000693243 [0,1,1,0,0,0|0,0,0]=2 606 B11R0.34 CS(=O)(=O)CC(=O)NCC(=O)N 11a_100000711301_100000744497 [0,1,1,0,0,0|1,0,1]=4 607 B11R0.34 CS(=O)(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000744497 [0,1,1,0,0,0|1,0,1]=4 608 B11R0.34 CS(=O)(=O)CC(=O)NCC(=O)N 527a_100000711301_100000744497 [0,1,1,0,0,0|1,0,1]=4 609 B11R0.34 C[N+](C)(C)CC(=O)NCC(=O)N 11a_100000711301_100000033712 [0,1,1,0,0,0|2,0,0]=4 610 B11R0.34 C[N+](C)(C)CC(=O)NCC(=O)N 240690a_100000711301_100000033712 [0,1,1,0,0,0|2,0,0]=4 611 B11R0.34 C[N+](C)(C)CC(=O)NCC(=O)N 527a_100000711301_100000033712 [0,1,1,0,0,0|2,0,0]=4 612 B11R0.34 C[Si](C)(C)CC(=O)NCC(=O)N 11a_100000711301_100011218504 [0,1,1,0,0,0|1,1,0]=4 613 B11R0.34 NC(=O)CNC(=O)CC(F)(F)F 11a_100000711301_100000245130 [0,1,1,0,0,0|2,0,0]=4 614 B11R0.34 NC(=O)CNC(=O)CC(F)(F)F 527a_100000711301_100000245130 [0,1,1,0,0,0|2,0,0]=4 615 B11R0.93 C#CC(C)NC(=O)NCC(=O)N 2708a_100000707721_100000711301 [0,1,1,0,0,0|2,0,0]=4 616 B11R0.93 C#CC(C)NC(=O)NCC(=O)N 273464a_100000707721_100000711301 [0,1,1,0,0,0|2,0,0]=4 617 B11R0.93 C#CC(C)NC(=O)NCC(=O)N 273464a_100000711301_100000707721 [0,1,1,0,0,0|2,0,0]=4 618 B11R0.93 C#CC(C)NC(=O)NCC(=O)N 512a_100000707721_100000711301 [0,1,1,0,0,0|2,0,0]=4 619 B11R0.93 C=C(C)CNC(=O)CC(O)CC 1626a_100000765925_100011667805 [0,1,1,0,0,0|2,0,0]=4 620 B11R0.93 C=C(C)CNC(=O)CC(O)CC 240690a_100000765925_100011667805 [0,1,1,0,0,0|2,0,0]=4 621 B11R0.93 C=CC(C)CC(=O)NCC(=O)N 11a_100000711301_100011934298 [0,1,1,0,0,0|1,0,0]=3 622 B11R0.93 C=CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100011934298 [0,1,1,0,0,0|1,0,0]=3 623 B11R0.93 C=CC(C)CC(=O)NCC(=O)N 527a_100000711301_100011934298 [0,1,1,0,0,0|1,0,0]=3 624 B11R0.93 CC(C#N)NC(=O)NCC(=O)N 2708a_100000737613_100000711301 [0,1,1,0,0,0|2,0,0]=4 625 B11R0.93 CC(C#N)NC(=O)NCC(=O)N 273464a_100000711301_100000737613 [0,1,1,0,0,0|2,0,0]=4 626 B11R0.93 CC(C#N)NC(=O)NCC(=O)N 273464a_100000737613_100000711301 [0,1,1,0,0,0|2,0,0]=4 627 B11R0.93 CC(C#N)NC(=O)NCC(=O)N 512a_100000737613_100000711301 [0,1,1,0,0,0|2,0,0]=4 628 B11R0.93 CCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748023 [0,1,1,0,0,0|2,0,0]=4 629 B11R0.93 CCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000708755 [0,1,1,0,0,0|1,0,0]=3 630 B11R0.93 CCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000708755 [0,1,1,0,0,0|1,0,0]=3 631 B11R0.93 CCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000708755 [0,1,1,0,0,0|1,0,0]=3 632 B11R0.93 CCC(C)NC(=O)NCC(=O)N 2708a_100000209981_100000711301 [0,1,1,0,0,0|2,0,0]=4 633 B11R0.93 CCC(C)NC(=O)NCC(=O)N 273464a_100000209981_100000711301 [0,1,1,0,0,0|2,0,0]=4 634 B11R0.93 CCC(C)NC(=O)NCC(=O)N 273464a_100000711301_100000209981 [0,1,1,0,0,0|2,0,0]=4 635 B11R0.93 CCC(C)NC(=O)NCC(=O)N 512a_100000209981_100000711301 [0,1,1,0,0,0|2,0,0]=4 636 B11R0.93 CCC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218378 [0,1,1,0,0,0|1,0,0]=3 637 B11R0.93 CCC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218378 [0,1,1,0,0,0|2,0,0]=4 638 B11R0.93 CCC(O)CC(=O)NCC(=O)N 240690a_100000711301_100011667805 [0,1,1,0,0,0|0,0,0]=2 639 B11R0.93 CCC(O)CC(=O)NNC(=O)C 22a_100000189765_100011667805 [0,1,1,0,0,0|2,0,0]=4 640 B11R0.93 CCN(C)CC(=O)NCC(=O)N 240690a_100000711301_100116209913 [0,1,1,0,0,0|2,0,0]=4 641 B11R0.93 CCN(C)CC(=O)NCC(=O)N 527a_100000711301_100116209913 [0,1,1,0,0,0|2,0,0]=4 642 B11R0.93 CC[C@H](C)CC(=O)CCC(=O)N 1458a_100011215257_100009816398 [0,1,1,0,0,0|2,0,0]=4 643 B11R0.93 COC(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000211351 [0,1,1,0,0,0|0,0,2]=4 644 B11R0.93 C[C@@H](CO)CC(=O)CCC(=O)N 1458a_100011215257_100000059175 [0,1,1,0,0,0|1,0,0]=3 645 B11R0.93 C[C@@H](CO)CC(=O)CNC(=O)N 1458a_100000184981_100000059175 [0,1,1,0,0,0|2,0,0]=4 646 B11R0.93 C[C@H](CF)NC(=O)NCC(=O)N 273464a_100000711301_100102880703 [0,1,1,0,0,0|2,0,0]=4 647 B11R0.93 C[C@H](CF)NC(=O)NCC(=O)N 273464a_100102880703_100000711301 [0,1,1,0,0,0|2,0,0]=4 648 B11R0.93 C[C@H](CF)NC(=O)NCC(=O)N 512a_100102880703_100000711301 [0,1,1,0,0,0|2,0,0]=4 649 B11R0.93 C[C@H](CO)NC(=O)CCC(=O)N 240690a_100000737577_100011215257 [0,1,1,0,0,0|2,0,0]=4 650 B11R0.93 C[C@H](CO)NC(=O)CCC(=O)N 527a_100000737577_100011215257 [0,1,1,0,0,0|2,0,0]=4 651 B11R0.93 C[C@H](CO)NC(=O)NCC(=O)N 273464a_100000737577_100000711301 [0,1,1,0,0,0|1,0,0]=3 652 B11R0.93 C[C@H](CO)NC(=O)NCC(=O)N 512a_100000737577_100000711301 [0,1,1,0,0,0|1,0,0]=3 653 B11R0.107 CC(C)CC(=O)NCC(=O)CF 1458a_100000194594_100015361967 [0,1,1,0,0,0|2,0,0]=4 654 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [0,1,1,0,0,0|2,0,0]=4 655 B11R0.107 CCC(=O)NNC(=O)C[C@@H](C)O 22a_100000183195_100011933948 [0,1,1,0,0,0|2,0,0]=4 656 B11R0.107 CNC(=O)C=CC(=O)CC(C)O 1458a_100016259477_100011218427 [0,1,1,0,0,0|1,0,1]=4 657 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [0,1,1,0,0,0|2,0,0]=4 658 B11R0.107 CNC(=O)CCC(=O)CC(C)O 1458a_100011309844_100011218427 [0,1,1,0,0,0|1,0,0]=3 659 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_100000693194_100000210554 [0,1,1,0,0,0|1,0,0]=3 660 B11R0.107 CNC(=O)CNC(=O)CC(C)C 11a_106832991635_100000194594 [0,1,1,0,0,0|1,0,0]=3 661 B11R0.107 CNC(=O)CNC(=O)CC(C)C 1626a_100102657272_100000194594 [0,1,1,0,0,0|1,0,0]=3 662 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100000693194_100000210554 [0,1,1,0,0,0|1,0,0]=3 663 B11R0.107 CNC(=O)CNC(=O)CC(C)C 240690a_100102657272_100000194594 [0,1,1,0,0,0|1,0,0]=3 664 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100000693194_100000210554 [0,1,1,0,0,0|1,0,0]=3 665 B11R0.107 CNC(=O)CNC(=O)CC(C)C 527a_100102657272_100000194594 [0,1,1,0,0,0|1,0,0]=3 666 B11R0.107 CNC(=O)CNC(=O)CN(C)C 11a_100000693194_100000750896 [0,1,1,0,0,0|2,0,0]=4 667 B11R0.107 CNC(=O)CNC(=O)CN(C)C 240690a_100000693194_100000750896 [0,1,1,0,0,0|2,0,0]=4 668 B11R0.107 CNC(=O)CNC(=O)CN(C)C 527a_100000693194_100000750896 [0,1,1,0,0,0|2,0,0]=4 669 B11R0.107 CNC(=O)CNC(=O)C[C@@H](C)O 240690a_100000693194_100011933948 [0,1,1,0,0,0|0,0,0]=2 670 B11R0.107 CNC(=O)CNC(=O)C[S+](C)C 11a_100000693194_200159257847 [0,1,1,0,0,0|2,0,0]=4 671 B11R0.107 CNC(=O)CNC(=O)C[S+](C)C 240690a_100000693194_200159257847 [0,1,1,0,0,0|2,0,0]=4 672 B11R0.107 CNC(=O)CNC(=O)C[S+](C)C 527a_100000693194_200159257847 [0,1,1,0,0,0|2,0,0]=4 673 B11R0.107 CNC(=O)CNC(=O)NC(C)C 2708a_100138425928_100000693194 [0,1,1,0,0,0|2,0,0]=4 674 B11R0.107 CNC(=O)CNC(=O)NC(C)C 273464a_100138425928_100000693194 [0,1,1,0,0,0|2,0,0]=4 675 B11R0.107 CNC(=O)CNC(=O)NC(C)C 512a_100138425928_100000693194 [0,1,1,0,0,0|2,0,0]=4 676 B11R0.107 CNC(=O)NNC(=O)CC(C)C 273464a_100102657272_100000189787 [0,1,1,0,0,0|2,0,0]=4 677 B11R0.107 COC(=O)CCC(=O)CC(C)O 1458a_100000187943_100011218427 [0,1,1,0,0,0|2,0,0]=4 678 B11R0.107 COC(=O)CNC(=O)CC(C)C 188690a_100000185156_100000210554 [0,1,1,0,0,0|2,0,0]=4 679 B11R0.107 COC(=O)CNC(=O)C[C@@H](C)O 188690a_100000185156_100011933948 [0,1,1,0,0,0|1,0,0]=3 680 B11R0.173 CC(C)C(C)C(=O)NCC(=O)N 11a_100000711301_100000755409 [0,1,1,0,0,0|1,0,0]=3 681 B11R0.173 CC(C)C(C)C(=O)NCC(=O)N 240690a_100000711301_100000755409 [0,1,1,0,0,0|1,0,0]=3 682 B11R0.173 CC(C)C(C)C(=O)NCC(=O)N 527a_100000711301_100000755409 [0,1,1,0,0,0|1,0,0]=3 683 B11R0.173 CC(C)N(C)C(=O)NCC(=O)N 273464a_100000711301_200000211004 [0,1,1,0,0,0|2,0,0]=4 684 B11R0.173 CC(C)[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000691806 [0,1,1,0,0,0|1,0,0]=3 685 B11R0.173 C[C@@H](C(=O)NCC(=O)N)N(C)C 240690a_100000711301_100009822176 [0,1,1,0,0,0|2,0,0]=4 686 B11R0.173 C[C@@H](C(=O)NCC(=O)N)N(C)C 527a_100000711301_100009822176 [0,1,1,0,0,0|2,0,0]=4 687 B11R0.232 CC(C)CS(=O)(=O)NCC(=O)N 270084a_100000711301_100000748289 [0,1,1,0,0,0|2,0,0]=4 688 B11R0.337 CC(O)CC(=O)CCS(=O)(=O)N 1458a_100000737202_100011218427 [0,1,1,0,0,0|2,0,0]=4 689 B11R1.39 CCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747405 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.39 CNC(=O)CN1CCC(C1)O 2230a_100011215560_100000183359 [1,1,0,0,0,0|0,0,1]=3 691 B11R1.39 CNC(=O)CN1CCC(C1)O 269982a_100011215560_100000183359 [1,1,0,0,0,0|0,0,1]=3 692 B11R1.39 CNC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000183359 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.39 CNC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000183359 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.39 CNC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000183359 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000183359 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183359 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000183359 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.39 COC(=O)CN1CCC(C1)O 2230a_100011215560_100000747449 [1,1,0,0,0,0|1,0,1]=4 699 B11R1.39 COC(=O)CN1CCC(C1)O 269982a_100011215560_100000747449 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.43 CO[C@@H]1CCN(C1)CC(=O)N 2230a_100000766984_100000747473 [1,1,0,0,0,0|0,0,1]=3 701 B11R1.43 CO[C@@H]1CCN(C1)CC(=O)N 269982a_100000766984_100000187820 [1,1,0,0,0,0|0,0,1]=3 702 B11R1.43 CO[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100000766984_100020667443 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.43 N#CC1CCN(C1)CC(=O)N 2230a_100016989334_100000747473 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.43 NC(=O)CN1CCC(C1)CO 2230a_100000748654_100000747473 [1,1,0,0,0,0|0,0,1]=3 705 B11R1.43 NC(=O)CN1CCC(C1)CO 269982a_100000748654_100000187820 [1,1,0,0,0,0|0,0,1]=3 706 B11R1.43 NC(=O)CN1CCC(C1)CO 34a_100000748654_100000187820 [1,1,0,0,0,0|0,0,1]=3 707 B11R1.43 O=C([O-])CN1CCC(C1)CO 269982a_100000748654_100020667443 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.43 O=C([O-])CN1CCC(C1)CO 34a_100000748654_100020667443 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)N 2230a_200015306588_100000747473 [1,1,0,0,0,0|0,0,1]=3 710 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)N 269982a_200015306588_100000187820 [1,1,0,0,0,0|0,0,1]=3 711 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)[O-] 269982a_200015306588_100020667443 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.80 NC(=O)CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000747473 [1,1,0,0,0,0|0,0,1]=3 713 B11R1.80 NC(=O)CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000187820 [1,1,0,0,0,0|0,0,1]=3 714 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000187820 [1,1,0,0,0,0|1,0,1]=4 715 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000187820 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000747473 [1,1,0,0,0,0|0,0,1]=3 717 B11R1.80 NC(=O)CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000187820 [1,1,0,0,0,0|0,0,1]=3 718 B11R1.80 O=C([O-])CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100020667443 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.80 O=C([O-])CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100020667443 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.314 CC(=O)C(C)N1CCC(C1)O 2230a_100011215560_100009814033 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.314 CC(=O)C(C)N1CCC(C1)O 269982a_100011215560_100009814033 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.314 CC(C(=O)N)N1CCC(C1)O 2230a_100011215560_100000702099 [1,1,0,0,0,0|0,0,1]=3 723 B11R1.314 CC(C(=O)N)N1CCC(C1)O 269982a_100011215560_100000184083 [1,1,0,0,0,0|0,0,1]=3 724 B11R1.314 CC(C(=O)N)N1CC[C@@H](C1)F 2230a_100015203821_100000702099 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.314 CC(C(=O)N)N1CC[C@@H](C1)F 269982a_100015203821_100000184083 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.314 CC(C(=O)N)N1CC[C@@H](C1)F 34a_100015203821_100000702099 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.314 CC(C(=O)N)N1CC[C@H](C1)C 2230a_100016987628_100000702099 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.314 CC(C(=O)N)N1CC[C@H](C1)C 269982a_100016987628_100000184083 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.314 CC(C(=O)N)N1CC[C@H](C1)C 34a_100016987628_100000702099 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.314 C[C@@H]1CCN(C1)C(F)C(=O)N 2230a_100016987628_100009813875 [1,1,0,0,0,0|1,0,1]=4 731 B11R1.314 C[C@@H]1CCN(C1)C(F)C(=O)N 269982a_100016987628_100009813875 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.314 C[C@@H]1CCN(C1)C(F)C(=O)N 34a_100016987628_100009813875 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.314 NC(=O)C(=O)N1CCC(C1)O 240690a_100011215560_100011215815 [1,1,0,0,0,0|0,0,2]=4 734 B11R1.314 NC(=O)C(F)N1CCC(C1)O 2230a_100011215560_100009813875 [1,1,0,0,0,0|0,0,1]=3 735 B11R1.314 NC(=O)C(F)N1CCC(C1)O 269982a_100011215560_100009813875 [1,1,0,0,0,0|0,0,1]=3 736 B11R1.314 NC(=O)C(F)N1CC[C@@H](C1)F 2230a_100015203821_100009813875 [1,1,0,0,0,0|1,0,1]=4 737 B11R1.314 NC(=O)C(F)N1CC[C@@H](C1)F 269982a_100015203821_100009813875 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.314 NC(=O)C(F)N1CC[C@@H](C1)F 34a_100015203821_100009813875 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.710 CC1(CCN(C1)CC(=O)N)C 2230a_100000764714_100000747473 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.710 CC1(CCN(C1)CC(=O)N)C 269982a_100000764714_100000187820 [1,1,0,0,0,0|1,0,1]=4 741 B11R1.710 CC1(CCN(C1)CC(=O)N)O 2230a_100000718628_100000747473 [1,1,0,0,0,0|0,0,1]=3 742 B11R1.710 CC1(CCN(C1)CC(=O)N)O 269982a_100000718628_100000187820 [1,1,0,0,0,0|0,0,1]=3 743 B11R1.710 CC1(CCN(C1)CC(=O)[O-])O 269982a_100000718628_100020667443 [1,1,0,0,0,0|1,0,1]=4 744 B11R1.710 NC(=O)CN1CCC(C1)(F)F 2230a_100000697292_100000747473 [1,1,0,0,0,0|1,0,1]=4 745 B11R1.710 NC(=O)CN1CCC(C1)(F)F 269982a_100000697292_100000187820 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.710 NC(=O)CN1CCC(C1)(F)F 34a_100000697292_100000187820 [1,1,0,0,0,0|1,0,1]=4 747 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [1,1,0,0,0,0|1,0,1]=4 749 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [1,1,0,0,0,0|1,0,1]=4 750 B11R1.57 N#CC1CCCN1CC(=O)N 2230a_100000701862_100000747473 [1,1,0,0,0,0|1,0,1]=4 751 B11R1.57 N#C[C@H]1CCCN1CC(=O)N 2230a_106645074975_100000747473 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.57 N#C[C@H]1CCCN1CC(=O)N 269982a_106645074975_100000187820 [1,1,0,0,0,0|1,0,1]=4 753 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747473 [1,1,0,0,0,0|0,0,2]=4 754 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000187820 [1,1,0,0,0,0|0,0,2]=4 755 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000187820 [1,1,0,0,0,0|0,0,2]=4 756 B11R1.89 CC(=O)C(C)N1CCCC1=O 1458a_200011194792_200000210301 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.89 CC(C(=O)N)N1CCC[C@@H]1C 2230a_100020605311_100000702099 [1,1,0,0,0,0|1,0,1]=4 758 B11R1.89 CC(C(=O)N)N1CCC[C@@H]1C 269982a_100020605311_100000184083 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 2230a_100015189458_100000702099 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 269982a_100015189458_100000184083 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 34a_100015189458_100000702099 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.89 CC(C(=O)[13CH3])N1CCCC1=O 1458a_200011194792_200025704644 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 2230a_100015189458_100009813875 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 269982a_100015189458_100009813875 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 34a_100015189458_100009813875 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.89 C[C@H]1CCCN1C(F)C(=O)N 2230a_100020605311_100009813875 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.89 C[C@H]1CCCN1C(F)C(=O)N 269982a_100020605311_100009813875 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.228 CCC(=O)CN1CSCC1=O 1458a_100000008433_100000210202 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.228 CNC(=O)CN1CCCC1=O 11a_106832991635_100000189602 [1,1,0,0,0,0|0,0,0]=2 772 B11R1.228 CNC(=O)CN1CCCC1=O 1626a_100102657272_100000189602 [1,1,0,0,0,0|0,0,0]=2 773 B11R1.228 CNC(=O)CN1CCCC1=O 240690a_100102657272_100000189602 [1,1,0,0,0,0|0,0,0]=2 774 B11R1.228 CNC(=O)CN1CCCC1=O 527a_100102657272_100000189602 [1,1,0,0,0,0|0,0,0]=2 775 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [1,1,0,0,0,0|1,0,1]=4 777 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [1,1,0,0,0,0|1,0,1]=4 778 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [1,1,0,0,0,0|1,0,1]=4 779 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [1,1,0,0,0,0|1,0,1]=4 780 B11R1.228 CNC(=O)CN1CCN=C1N 240690a_100102657272_100000032790 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.228 CNC(=O)CN1CCN=C1N 527a_100102657272_100000032790 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.228 CNC(=O)CN1CCOC1=O 11a_106832991635_100011227918 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.228 CNC(=O)CN1CCOC1=O 1626a_100102657272_100011227918 [1,1,0,0,0,0|1,0,0]=3 784 B11R1.228 CNC(=O)CN1CCOC1=O 240690a_100102657272_100011227918 [1,1,0,0,0,0|1,0,0]=3 785 B11R1.228 CNC(=O)CN1CCOC1=O 527a_100102657272_100011227918 [1,1,0,0,0,0|1,0,0]=3 786 B11R1.228 CNC(=O)CN1CSCC1=O 11a_106832991635_100000008433 [1,1,0,0,0,0|1,0,0]=3 787 B11R1.228 CNC(=O)CN1CSCC1=O 1626a_100102657272_100000008433 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.228 CNC(=O)CN1CSCC1=O 240690a_100102657272_100000008433 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.228 CNC(=O)CN1CSCC1=O 527a_100102657272_100000008433 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.228 O=C(CF)CN1CCCC1=O 1458a_100000189602_100015361967 [1,1,0,0,0,0|1,0,0]=3 791 B11R1.228 O=C(CF)CN1CCOC1=O 1458a_100011227918_100015361967 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.228 O=C(CF)CN1CSCC1=O 1458a_100000008433_100015361967 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.234 CC1(CCCN1CC(=O)N)C 2230a_100000761399_100000747473 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.234 CC1(CCCN1CC(=O)N)C 269982a_100000761399_100000187820 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.234 CC1(CCCN1CC(=O)N)C 34a_100000761399_100000187820 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.495 CC(=O)CN1C(=O)CCC1=O 1458a_100000186450_200000210301 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.495 CC1CCC(N1CC(=O)N)C 2230a_100000687148_100000747473 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.495 CC1CCC(N1CC(=O)N)C 269982a_100000687148_100000187820 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.495 CC1CCC(N1CC(=O)N)C 34a_100000687148_100000187820 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.495 [13CH3]C(=O)CN1C(=O)CCC1=O 1458a_100000186450_200025704644 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.183 O=CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200015260668 [1,1,0,0,0,0|0,0,2]=4 802 B11R1.183 O=CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200015260668 [1,1,0,0,0,0|0,0,2]=4 803 B11R1.146 CC(C(=O)N)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000702099 [0,1,0,0,1,0|1,0,1]=4 804 B11R1.146 CC(C(=O)N)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000184083 [0,1,0,0,1,0|1,0,1]=4 805 B11R1.146 C[C@H]1[C@H](CN1C(F)C(=O)N)O 2230a_206633788156_100009813875 [0,1,0,0,1,0|1,0,1]=4 806 B11R1.146 C[C@H]1[C@H](CN1C(F)C(=O)N)O 269982a_206633788156_100009813875 [0,1,0,0,1,0|1,0,1]=4 807 B11R1.896 CNC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000183359 [0,1,0,0,1,0|1,0,1]=4 808 B11R1.896 CNC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000183359 [0,1,0,0,1,0|1,0,1]=4 809 B13R1.56 CC1CC(CN(C1)CC(=O)N)CO 2230a_200012821172_100000747473 [0,1,0,0,0,1|1,0,1]=4 810 B13R1.56 CC1CC(CN(C1)CC(=O)N)CO 269982a_200012821172_100000187820 [0,1,0,0,0,1|1,0,1]=4 811 B13R1.56 CC1CC(CN(C1)CC(=O)N)CO 34a_200012821172_100000187820 [0,1,0,0,0,1|1,0,1]=4 812 B13R1.882 CC1(CC(CCN1CC(=O)N)O)C 2230a_100102422732_100000747473 [0,1,0,0,0,1|1,0,1]=4 813 B13R1.882 CC1(CC(CCN1CC(=O)N)O)C 269982a_100102422732_100000187820 [0,1,0,0,0,1|1,0,1]=4 814 B13R1.2068 NC(=O)CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000744528 [0,1,0,0,0,1|0,0,2]=4 815 B13R1.2068 NC(=O)CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000744528 [0,1,0,0,0,1|0,0,2]=4 816 B13R1.2261 CC(C(=O)N)N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000702099 [0,2,0,0,0,0|0,0,2]=4 817 B13R1.2261 CC(C(=O)N)N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000184083 [0,2,0,0,0,0|0,0,2]=4 818 B13R1.2261 NC(=O)C(F)N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100009813875 [0,2,0,0,0,0|0,0,2]=4 819 B13R1.2261 NC(=O)C(F)N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100009813875 [0,2,0,0,0,0|0,0,2]=4 820 B13R1.2984 CNC(=O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000183359 [0,2,0,0,0,0|0,0,2]=4 821 B13R1.2984 CNC(=O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000183359 [0,2,0,0,0,0|0,0,2]=4 822 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000747473 [0,2,0,0,0,0|0,0,1]=3 823 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000187820 [0,2,0,0,0,0|0,0,1]=3 824 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000747473 [0,2,0,0,0,0|1,0,1]=4 825 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000187820 [0,2,0,0,0,0|1,0,1]=4 826 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000187820 [0,2,0,0,0,0|1,0,1]=4 827 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000187820 [0,2,0,0,0,0|1,0,1]=4 828 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000187820 [0,2,0,0,0,0|0,0,1]=3 829 B13R1.3487 NC(=O)[C@@H]1C[C@H](CN1CC(=O)[O-])O 269982a_100020587027_100020667443 [0,2,0,0,0,0|1,0,1]=4 830 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100020667443 [0,2,0,0,0,0|1,0,1]=4 831 B13R1.690 C#CCC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_100000184674 [0,2,0,0,0,0|1,0,0]=3 832 B13R1.690 C=CCC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_100000210623 [0,2,0,0,0,0|1,0,0]=3 833 B13R1.690 CCCC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_100000210303 [0,2,0,0,0,0|1,0,0]=3 834 B13R1.690 CCNC(=O)CN1C[C@H](CC1=O)O 240690a_100015525214_100015189430 [0,2,0,0,0,0|0,0,0]=2 835 B13R1.690 CNNC(=O)CN1C[C@H](CC1=O)O 22a_100016993582_100015189430 [0,2,0,0,0,0|0,0,0]=2 836 B13R1.690 N#CCC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_100011214920 [0,2,0,0,0,0|0,0,1]=3 837 B13R1.690 O=C(CCF)CN1C[C@H](CC1=O)O 1458a_100015189430_100011217306 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.690 O=C(CCO)CN1C[C@H](CC1=O)O 1458a_100015189430_100000211926 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.90 NC(=O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000747473 [0,0,1,1,0,0|2,0,0]=4 840 B11R1.154 C=C1CC(C1)CNCC(=O)N 2230a_100102567296_100000747473 [0,0,1,1,0,0|2,0,0]=4 841 B11R1.154 C=C1CC(C1)CNCC(=O)N 34a_100102567296_100000187820 [0,0,1,1,0,0|2,0,0]=4 842 B11R1.154 NC(=O)CNCC1CC(=O)C1 2230a_100000711301_100009874392 [0,0,1,1,0,0|1,0,0]=3 843 B11R1.154 NC(=O)COCC1CC(=O)C1 34a_100000101936_100000187820 [0,0,1,1,0,0|2,0,0]=4 844 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100000747473_100009874392 [0,0,1,1,0,0|2,0,0]=4 845 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747473 [0,0,1,1,0,0|2,0,0]=4 846 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,0,1,1,0,0|2,0,0]=4 847 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,0,1,1,0,0|1,0,1]=4 848 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,0,1,1,0,0|1,0,1]=4 849 B11R1.172 NC(=O)CNCC1CCCO1 2230a_100000711301_100000203698 [0,0,1,1,0,0|1,0,1]=4 850 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747473 [0,0,1,1,0,0|1,0,1]=4 851 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000187820 [0,0,1,1,0,0|1,0,1]=4 852 B11R1.720 NC(=O)CNCC(O)C1CC1 2230a_100000751198_100000747473 [0,0,1,1,0,0|1,0,1]=4 853 B11R1.720 NC(=O)CNCC(O)C1CC1 34a_100000751198_100000187820 [0,0,1,1,0,0|1,0,1]=4 854 B11R1.924 NC(=O)CNCC1(CCC1)O 2230a_100000752638_100000747473 [0,0,1,1,0,0|1,0,1]=4 855 B11R1.924 NC(=O)CNCC1(COC1)O 2230a_100010264505_100000747473 [0,0,1,1,0,0|2,0,0]=4 856 B11R1.74 CC(=O)N1CC(=O)NC(=O)C1 11a_100000763381_100015343762 [0,0,1,1,0,0|0,0,2]=4 857 B11R1.74 CC(=O)N1CC(=O)NC(=O)C1 1626a_100000763381_100015343762 [0,0,1,1,0,0|0,0,2]=4 858 B11R1.74 CC(=O)N1CC(=O)NC(=O)C1 240690a_100000763381_100015343762 [0,0,1,1,0,0|0,0,2]=4 859 B11R1.86 CC(=O)CN1CCOCC1=O 1458a_100000722046_200000210301 [0,0,1,1,0,0|1,0,0]=3 860 B11R1.86 C[C@H]1COCCN1CC(=O)N 2230a_100009815349_100000747473 [0,0,1,1,0,0|1,0,1]=4 861 B11R1.86 C[C@H]1COCCN1CC(=O)N 269982a_100009815349_100000187820 [0,0,1,1,0,0|1,0,1]=4 862 B11R1.86 C[C@H]1COCCN1CC(=O)N 34a_100009815349_100000187820 [0,0,1,1,0,0|1,0,1]=4 863 B11R1.86 [13CH3]C(=O)CN1CCOCC1=O 1458a_100000722046_200025704644 [0,0,1,1,0,0|1,0,0]=3 864 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [0,0,1,1,0,0|1,0,0]=3 865 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [0,0,1,1,0,0|1,0,0]=3 866 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [0,0,1,1,0,0|1,0,0]=3 867 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [0,0,1,1,0,0|2,0,0]=4 868 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [0,0,1,1,0,0|2,0,0]=4 869 B11R1.497 CC(=O)N1CCCNC(=O)C1 11a_100015190381_100015343762 [0,0,1,1,0,0|1,0,0]=3 870 B11R1.497 CC(=O)N1CCCNC(=O)C1 1626a_100015190381_100015343762 [0,0,1,1,0,0|1,0,0]=3 871 B11R1.497 CC(=O)N1CCCNC(=O)C1 240690a_100015190381_100015343762 [0,0,1,1,0,0|1,0,0]=3 872 B11R1.497 CC(=O)N1CCCNC(=O)C1 527a_100015190381_100103153847 [0,0,1,1,0,0|1,0,0]=3 873 B11R1.804 NC(=O)CN(CCO)C1CC1 2230a_100000738766_100000747473 [0,0,1,1,0,0|1,0,1]=4 874 B11R1.804 NC(=O)CN(CCO)C1CC1 269982a_100000738766_100000187820 [0,0,1,1,0,0|1,0,1]=4 875 B11R1.804 NC(=O)CN(CCO)C1CC1 34a_100000738766_100000187820 [0,0,1,1,0,0|1,0,1]=4 876 B11R1.77 CN(CC(=O)N)C1CCOC1 2230a_100000739694_100000731011 [0,0,1,1,0,0|1,0,1]=4 877 B11R1.77 CN(CC(=O)N)C1CCOC1 2230a_100016988252_100000747473 [0,0,1,1,0,0|1,0,1]=4 878 B11R1.77 CN(CC(=O)N)C1CCOC1 269982a_100016988252_100000187820 [0,0,1,1,0,0|1,0,1]=4 879 B11R1.77 CN(CC(=O)N)C1CCOC1 270004a_100000739694_100000752484 [0,0,1,1,0,0|1,0,1]=4 880 B11R1.77 CN(CC(=O)N)C1CCOC1 34a_100016988252_100000187820 [0,0,1,1,0,0|1,0,1]=4 881 B11R1.719 C=C(C)CN(C)C(=O)C1CO1 11a_100000225649_100000701028 [0,0,1,1,0,0|2,0,0]=4 882 B11R1.719 C=C(C)CN(C)C(=O)C1CO1 1626a_100000225649_100000701028 [0,0,1,1,0,0|2,0,0]=4 883 B11R1.719 C=C(C)CN(C)C(=O)C1CO1 527a_100000225649_100000701028 [0,0,1,1,0,0|2,0,0]=4 884 B11R1.719 CC(C1CO1)N(C)CC(=O)N 270004a_100000739694_100000031964 [0,0,1,1,0,0|1,0,1]=4 885 B11R1.719 CN(CC(=O)N)C(=O)C1CC1 11a_100000739694_100000210395 [0,0,1,1,0,0|1,0,0]=3 886 B11R1.719 CN(CC(=O)N)C(=O)C1CC1 527a_100000739694_100000210395 [0,0,1,1,0,0|1,0,0]=3 887 B11R1.719 CN(CC(=O)N)C(=O)C1CO1 11a_100000739694_100000701028 [0,0,1,1,0,0|0,0,0]=2 888 B11R1.719 CN(CC(=O)N)C(=O)C1CO1 527a_100000739694_100000701028 [0,0,1,1,0,0|0,0,0]=2 889 B11R1.75 NC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747473 [0,0,1,1,0,0|1,0,1]=4 890 B11R1.103 CC1CC1C(=O)NCC(=O)N 11a_100000711301_100000211227 [0,0,1,1,0,0|1,0,0]=3 891 B11R1.103 CC1CC1C(=O)NCC(=O)N 527a_100000711301_100000211227 [0,0,1,1,0,0|1,0,0]=3 892 B11R1.103 NC(=O)CNC(=O)[C@@H]1C[C@@H]1F 11a_100000711301_100015396687 [0,0,1,1,0,0|1,0,0]=3 893 B11R1.103 NC(=O)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100000711301_100015396687 [0,0,1,1,0,0|1,0,0]=3 894 B11R1.103 NC(=O)CNC(=O)[C@@H]1C[C@@H]1F 527a_100000711301_100015396687 [0,0,1,1,0,0|1,0,0]=3 895 B11R1.348 NC(=O)CCC(=O)CC1CC1 1458a_100011215257_100000742324 [0,0,1,1,0,0|2,0,0]=4 896 B11R1.348 NC(=O)CCC(=O)CC1CO1 1458a_100011215257_100011216344 [0,0,1,1,0,0|1,0,0]=3 897 B11R1.348 NC(=O)CCC(=O)CC1CS1 1458a_100011215257_100000031435 [0,0,1,1,0,0|1,1,0]=4 898 B11R1.348 NC(=O)CCC(=O)C[C@@H]1CO1 1458a_100011215257_100000745022 [0,0,1,1,0,0|1,0,0]=3 899 B11R1.348 NC(=O)CNC(=O)CC1CC1 11a_100000711301_100000738066 [0,0,1,1,0,0|1,0,0]=3 900 B11R1.348 NC(=O)CNC(=O)CC1CC1 240690a_100000711301_100000738066 [0,0,1,1,0,0|1,0,0]=3 901 B11R1.348 NC(=O)CNC(=O)CC1CC1 527a_100000711301_100000738066 [0,0,1,1,0,0|1,0,0]=3 902 B11R1.348 NC(=O)CNC(=O)NC1CC1 2708a_100000212008_100000711301 [0,0,1,1,0,0|2,0,0]=4 903 B11R1.348 NC(=O)CNC(=O)NC1CC1 273464a_100000212008_100000711301 [0,0,1,1,0,0|2,0,0]=4 904 B11R1.348 NC(=O)CNC(=O)NC1CC1 273464a_100000711301_100000212008 [0,0,1,1,0,0|2,0,0]=4 905 B11R1.348 NC(=O)CNC(=O)NC1CC1 512a_100000212008_100000711301 [0,0,1,1,0,0|2,0,0]=4 906 B11R1.348 NC(=O)NCC(=O)CC1CO1 1458a_100000184981_100011216344 [0,0,1,1,0,0|2,0,0]=4 907 B11R1.348 NC(=O)NCC(=O)C[C@@H]1CO1 1458a_100000184981_100000745022 [0,0,1,1,0,0|2,0,0]=4 908 B11R1.714 C[C@@]1(C[C@H](C1)NCC(=O)N)O 2230a_100121572536_100000747473 [0,0,1,1,0,0|1,0,1]=4 909 B11R2.934 NC(=O)CN1CC2CC2C1 2230a_100000741873_100000747473 [1,0,0,1,0,0|1,0,1]=4 910 B11R2.934 NC(=O)CN1CC2CC2C1 269982a_100000741873_100000187820 [1,0,0,1,0,0|1,0,1]=4 911 B11R2.934 NC(=O)CN1CC2CC2C1 34a_100000741873_100000187820 [1,0,0,1,0,0|1,0,1]=4 912 B11R2.248 O=CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200015260668 [1,0,0,1,0,0|1,0,1]=4 913 B11R2.248 O=CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200015260668 [1,0,0,1,0,0|1,0,1]=4 914 B11R2.248 O=CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200009817547 [1,0,0,1,0,0|1,0,1]=4 915 B13R2.5551 NC(=O)CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000744528 [0,0,0,1,0,1|1,0,1]=4 916 B13R2.5551 NC(=O)CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000744528 [0,0,0,1,0,1|1,0,1]=4 917 B13R2.5551 NC(=O)CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000731001 [0,0,0,1,0,1|1,0,1]=4 918 B13R2.6859 CNC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000183359 [0,1,0,1,0,0|1,0,1]=4 919 B13R2.6859 CNC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000183359 [0,1,0,1,0,0|1,0,1]=4 920 B13R2.6859 CNC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000183359 [0,1,0,1,0,0|1,0,1]=4 921 B13R2.7957 CC(C(=O)N)N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000702099 [0,1,0,1,0,0|1,0,1]=4 922 B13R2.7957 CC(C(=O)N)N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000184083 [0,1,0,1,0,0|1,0,1]=4 923 B13R2.7957 CC(C(=O)N)N1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000702099 [0,1,0,1,0,0|1,0,1]=4 924 B13R2.7957 NC(=O)C(F)N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100009813875 [0,1,0,1,0,0|1,0,1]=4 925 B13R2.7957 NC(=O)C(F)N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100009813875 [0,1,0,1,0,0|1,0,1]=4 926 B13R2.7957 NC(=O)C(F)N1C[C@H]2C[C@@H]1CO2 34a_100016995552_100009813875 [0,1,0,1,0,0|1,0,1]=4 927 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,0,1,0,1,0|2,0,0]=4 928 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,0,1,0,1,0|1,0,0]=3 929 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,0,1,0,1,0|2,0,0]=4 930 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,0,1,0,1,0|2,0,0]=4 931 B9R0.7 C=C(C)C(=O)NCC(=O)N 11a_100000711301_100000185857 [0,0,1,0,1,0|1,0,1]=4 932 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,0,1,0,1,0|2,0,0]=4 933 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,0,1,0,1,0|2,0,0]=4 934 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,0,1,0,1,0|2,0,0]=4 935 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,0,1,0,1,0|2,0,0]=4 936 B9R0.7 CC(=O)NNC(=O)[C@@H](C)O 22a_100000189765_100000717761 [0,0,1,0,1,0|2,0,0]=4 937 B9R0.7 CC(=O)NNC(=O)[C@H](C)O 22a_100000189765_217856618621 [0,0,1,0,1,0|2,0,0]=4 938 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,0,1,0,1,0|2,0,0]=4 939 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,0,1,0,1,0|1,0,0]=3 940 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,0,1,0,1,0|1,0,0]=3 941 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,0,1,0,1,0|1,0,0]=3 942 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,0,1,0,1,0|2,0,0]=4 943 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,0,1,0,1,0|1,0,0]=3 944 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,0,1,0,1,0|1,0,0]=3 945 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,0,1,0,1,0|1,0,0]=3 946 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,0,1,0,1,0|0,0,0]=2 947 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,0,1,0,1,0|0,0,0]=2 948 B9R0.7 NC(=O)CNC(=O)C(F)F 11a_100000711301_100000210393 [0,0,1,0,1,0|2,0,0]=4 949 B9R0.7 NC(=O)CNC(=O)C(F)F 240690a_100000711301_100000210393 [0,0,1,0,1,0|2,0,0]=4 950 B9R0.7 NC(=O)CNC(=O)C(F)F 527a_100000711301_100000210393 [0,0,1,0,1,0|2,0,0]=4 951 B9R0.7 NC(=O)CNC(=O)C(O)O 240690a_100000711301_100000233687 [0,0,1,0,1,0|1,0,0]=3 952 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [1,0,0,0,1,0|1,0,1]=4 953 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [1,0,0,0,1,0|1,0,1]=4 954 B9R1.53 C=C(C)CN1CC(C1)O 269982a_100000749847_100000748629 [1,0,0,0,1,0|2,0,0]=4 955 B9R1.53 C=C(F)CN1CC(C1)O 269982a_100000749847_100009893438 [1,0,0,0,1,0|2,0,0]=4 956 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [1,0,0,0,1,0|1,0,0]=3 957 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [1,0,0,0,1,0|1,0,0]=3 958 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [1,0,0,0,1,0|1,0,0]=3 959 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [1,0,0,0,1,0|2,0,0]=4 960 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [1,0,0,0,1,0|2,0,0]=4 961 B9R1.53 NC(=O)CN1CC(C1)F 2230a_100000690557_100000747473 [1,0,0,0,1,0|1,0,0]=3 962 B9R1.53 NC(=O)CN1CC(C1)F 269982a_100000690557_100000187820 [1,0,0,0,1,0|1,0,0]=3 963 B9R1.53 NC(=O)CN1CC(C1)F 34a_100000690557_100000187820 [1,0,0,0,1,0|1,0,0]=3 964 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [1,0,0,0,1,0|0,0,0]=2 965 B9R1.53 O=C([O-])CN1CC(C1)F 269982a_100000690557_100020667443 [1,0,0,0,1,0|2,0,0]=4 966 B9R1.53 O=C([O-])CN1CC(C1)F 34a_100000690557_100020667443 [1,0,0,0,1,0|2,0,0]=4 967 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [1,0,0,0,1,0|1,0,0]=3 968 B9R1.53 O=[N+]([O-])CN1CC(C1)O 269982a_100000749847_100000761209 [1,0,0,0,1,0|2,0,0]=4 969 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [1,0,0,0,1,0|1,0,1]=4 970 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [1,0,0,0,1,0|1,0,1]=4 971 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,0,1,0|2,0,0]=4 972 B9R1.135 C[C@H]1[C@H](CN1CC=O)O 2230a_206633788156_200015260668 [1,0,0,0,1,0|1,0,1]=4 973 B9R1.135 C[C@H]1[C@H](CN1CC=O)O 269982a_206633788156_200015260668 [1,0,0,0,1,0|1,0,1]=4 974 B11R0.176 COCC(O)CNCCC(=O)N 2230a_100000756049_100000744528 [0,0,1,0,0,1|2,0,0]=4 975 B11R0.176 COCC(O)CNCCC(=O)N 34a_100000756049_100000731001 [0,0,1,0,0,1|2,0,0]=4 976 B11R0.146 CC(C)N(CCO)CCC(=O)N 2230a_100000224655_100000744528 [0,0,1,0,0,1|1,0,1]=4 977 B11R0.146 CC(C)N(CCO)CCC(=O)N 2230a_100011191440_100000211926 [0,0,1,0,0,1|1,0,1]=4 978 B11R0.146 CC(C)N(CCO)CCC(=O)N 269982a_100000224655_100000744528 [0,0,1,0,0,1|1,0,1]=4 979 B11R0.146 CC(C)N(CCO)CCC(=O)N 269982a_100011191440_100000211926 [0,0,1,0,0,1|1,0,1]=4 980 B11R0.85 C=C(C)CCC(=O)NCC(=O)N 11a_100000711301_200000688413 [0,0,1,0,0,1|1,0,1]=4 981 B11R0.85 C=C(C)CCC(=O)NCC(=O)N 240690a_100000711301_200000688413 [0,0,1,0,0,1|1,0,1]=4 982 B11R0.85 C=C(C)CCC(=O)NCC(=O)N 527a_100000711301_200000688413 [0,0,1,0,0,1|1,0,1]=4 983 B11R0.85 C=C(C)CNC(=O)CCC(C)O 1626a_100000765925_100000718519 [0,0,1,0,0,1|2,0,0]=4 984 B11R0.85 C=C(C)CNC(=O)NCC(=O)N 2708a_100000765925_100000711301 [0,0,1,0,0,1|1,0,1]=4 985 B11R0.85 C=C(C)CNC(=O)NCC(=O)N 273464a_100000711301_100000765925 [0,0,1,0,0,1|1,0,1]=4 986 B11R0.85 C=C(C)CNC(=O)NCC(=O)N 273464a_100000765925_100000711301 [0,0,1,0,0,1|1,0,1]=4 987 B11R0.85 C=C(C)CNC(=O)NCC(=O)N 512a_100000765925_100000711301 [0,0,1,0,0,1|1,0,1]=4 988 B11R0.85 C=C(C)CNC(=O)NCC(C)O 2708a_100000765925_100000210904 [0,0,1,0,0,1|2,0,0]=4 989 B11R0.85 C=C(C)CNC(=O)NCC(C)O 273464a_100000210904_100000765925 [0,0,1,0,0,1|2,0,0]=4 990 B11R0.85 C=C(C)CNC(=O)NCC(C)O 273464a_100000765925_100000210904 [0,0,1,0,0,1|2,0,0]=4 991 B11R0.85 C=C(C)CNC(=O)NCC(C)O 512a_100000210904_100000765925 [0,0,1,0,0,1|2,0,0]=4 992 B11R0.85 C=C(C)CNC(=O)NCC(C)O 512a_100000765925_100000210904 [0,0,1,0,0,1|2,0,0]=4 993 B11R0.85 CC(=CCC(=O)NCC(=O)N)C 11a_100000711301_100011220947 [0,0,1,0,0,1|1,0,1]=4 994 B11R0.85 CC(=CCC(=O)NCC(=O)N)C 240690a_100000711301_100011220947 [0,0,1,0,0,1|1,0,1]=4 995 B11R0.85 CC(=CCC(=O)NCC(=O)N)C 527a_100000711301_100011220947 [0,0,1,0,0,1|1,0,1]=4 996 B11R0.85 CC(=O)CCC(=O)NCC(=O)N 1458a_200011309861_200000210301 [0,0,1,0,0,1|0,0,2]=4 997 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [0,0,1,0,0,1|2,0,0]=4 998 B11R0.85 CC(=O)NCC(=O)NCC(=O)N 11a_100000711301_100000194580 [0,0,1,0,0,1|0,0,2]=4 999 B11R0.85 CC(=O)NCC(=O)NCC(=O)N 240690a_100000711301_100000194580 [0,0,1,0,0,1|0,0,2]=4 1000 B11R0.85 CC(=O)NCC(=O)NCC(=O)N 527a_100000711301_100000194580 [0,0,1,0,0,1|0,0,2]=4 1001 B11R0.85 CC(=O)NNC(=O)NCC(C)O 273464a_100000210904_100000189765 [0,0,1,0,0,1|2,0,0]=4 1002 B11R0.85 CC(=O)NNC(=O)NCC(C)O 512a_100000189765_100000210904 [0,0,1,0,0,1|2,0,0]=4 1003 B11R0.85 CC(=O)OCC(=O)NCC(=O)N 240690a_100000711301_100000183556 [0,0,1,0,0,1|0,0,2]=4 1004 B11R0.85 CC(=O)OCC(=O)NCC(=O)N 527a_100000711301_100000183556 [0,0,1,0,0,1|0,0,2]=4 1005 B11R0.85 CC(=O)SCC(=O)NCC(=O)N 11a_100000711301_100000049016 [0,0,1,0,0,1|0,0,2]=4 1006 B11R0.85 CC(=O)SCC(=O)NCC(=O)N 240690a_100000711301_100000049016 [0,0,1,0,0,1|0,0,2]=4 1007 B11R0.85 CC(C)C=CC(=O)NCC(=O)N 11a_100000711301_100016268746 [0,0,1,0,0,1|1,0,1]=4 1008 B11R0.85 CC(C)C=CC(=O)NCC(=O)N 240690a_100000711301_100016268746 [0,0,1,0,0,1|1,0,1]=4 1009 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [0,0,1,0,0,1|2,0,0]=4 1010 B11R0.85 CC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000181311 [0,0,1,0,0,1|1,0,0]=3 1011 B11R0.85 CC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000181311 [0,0,1,0,0,1|1,0,0]=3 1012 B11R0.85 CC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000181311 [0,0,1,0,0,1|1,0,0]=3 1013 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [0,0,1,0,0,1|2,0,0]=4 1014 B11R0.85 CC(C)CNC(=O)CCC(=O)N 240690a_100000210953_100011215257 [0,0,1,0,0,1|2,0,0]=4 1015 B11R0.85 CC(C)CNC(=O)CCC(=O)N 527a_100000210953_100011215257 [0,0,1,0,0,1|2,0,0]=4 1016 B11R0.85 CC(C)CNC(=O)NCC(=O)N 2708a_100000210953_100000711301 [0,0,1,0,0,1|1,0,0]=3 1017 B11R0.85 CC(C)CNC(=O)NCC(=O)N 273464a_100000210953_100000711301 [0,0,1,0,0,1|1,0,0]=3 1018 B11R0.85 CC(C)CNC(=O)NCC(=O)N 273464a_100000711301_100000210953 [0,0,1,0,0,1|1,0,0]=3 1019 B11R0.85 CC(C)CNC(=O)NCC(=O)N 512a_100000210953_100000711301 [0,0,1,0,0,1|1,0,0]=3 1020 B11R0.85 CC(C)NCC(=O)NCC(=O)O 269956a_100000183575_100000210206 [0,0,1,0,0,1|2,0,0]=4 1021 B11R0.85 CC(C)NNC(=O)NCC(=O)N 273464a_100000711301_100000741168 [0,0,1,0,0,1|2,0,0]=4 1022 B11R0.85 CC(C)NNC(=O)NCC(=O)N 512a_100000741168_100000711301 [0,0,1,0,0,1|2,0,0]=4 1023 B11R0.85 CC(C)OCC(=O)NCC(=O)N 11a_100000711301_100000745533 [0,0,1,0,0,1|1,0,0]=3 1024 B11R0.85 CC(C)OCC(=O)NCC(=O)N 240690a_100000711301_100000745533 [0,0,1,0,0,1|1,0,0]=3 1025 B11R0.85 CC(C)OCC(=O)NCC(=O)N 527a_100000711301_100000745533 [0,0,1,0,0,1|1,0,0]=3 1026 B11R0.85 CC(C)SCC(=O)NCC(=O)N 11a_100000711301_100000241585 [0,0,1,0,0,1|1,0,0]=3 1027 B11R0.85 CC(C)SCC(=O)NCC(=O)N 240690a_100000711301_100000241585 [0,0,1,0,0,1|1,0,0]=3 1028 B11R0.85 CC(C)SCC(=O)NCC(=O)N 527a_100000711301_100000241585 [0,0,1,0,0,1|1,0,0]=3 1029 B11R0.85 CC(O)CCC(=O)CCC(=O)N 1458a_100011215257_100012276601 [0,0,1,0,0,1|1,0,0]=3 1030 B11R0.85 CC(O)CCC(=O)CNC(=O)N 1458a_100000184981_100012276601 [0,0,1,0,0,1|2,0,0]=4 1031 B11R0.85 CC(O)CNC(=O)CCC(=O)N 240690a_100000210904_100011215257 [0,0,1,0,0,1|1,0,0]=3 1032 B11R0.85 CC(O)CNC(=O)CCC(=O)N 527a_100000210904_100011215257 [0,0,1,0,0,1|1,0,0]=3 1033 B11R0.85 CC(O)CNC(=O)CNC(=O)N 240690a_100000210904_100000184981 [0,0,1,0,0,1|2,0,0]=4 1034 B11R0.85 CC(O)CNC(=O)CNC(=O)N 527a_100000210904_100000184981 [0,0,1,0,0,1|2,0,0]=4 1035 B11R0.85 CC(O)CNC(=O)CSC(=O)N 240690a_100000210904_200015941356 [0,0,1,0,0,1|2,0,0]=4 1036 B11R0.85 CC(O)CNC(=O)NCC(=O)N 273464a_100000210904_100000711301 [0,0,1,0,0,1|0,0,0]=2 1037 B11R0.85 CC(O)CNC(=O)NCC(=O)N 273464a_100000711301_100000210904 [0,0,1,0,0,1|0,0,0]=2 1038 B11R0.85 CC(O)CNC(=O)NCC(=O)N 512a_100000210904_100000711301 [0,0,1,0,0,1|0,0,0]=2 1039 B11R0.85 CN(C)CCC(=O)NCC(=O)N 11a_100000711301_100000689311 [0,0,1,0,0,1|2,0,0]=4 1040 B11R0.85 CN(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000689311 [0,0,1,0,0,1|2,0,0]=4 1041 B11R0.85 CN(C)CCC(=O)NCC(=O)N 527a_100000711301_100000689311 [0,0,1,0,0,1|2,0,0]=4 1042 B11R0.85 C[S+](C)CCC(=O)NCC(=O)N 11a_100000711301_100009452791 [0,0,1,0,0,1|2,0,0]=4 1043 B11R0.85 C[S+](C)CCC(=O)NCC(=O)N 240690a_100000711301_100009452791 [0,0,1,0,0,1|2,0,0]=4 1044 B11R0.85 NC(=O)CNC(=O)COC(F)F 11a_100000711301_200000719455 [0,0,1,0,0,1|2,0,0]=4 1045 B11R0.85 NC(=O)CNC(=O)COC(F)F 240690a_100000711301_200000719455 [0,0,1,0,0,1|2,0,0]=4 1046 B11R0.85 NC(=O)CNC(=O)COC(F)F 527a_100000711301_200000719455 [0,0,1,0,0,1|2,0,0]=4 1047 B11R0.85 NC(=O)CNC(=O)CSC(F)F 11a_100000711301_114828291038 [0,0,1,0,0,1|2,0,0]=4 1048 B11R0.85 NC(=O)CNC(=O)CSC(F)F 240690a_100000711301_114828291038 [0,0,1,0,0,1|2,0,0]=4 1049 B11R0.85 NC(=O)CNC(=O)CSC(F)F 527a_100000711301_114828291038 [0,0,1,0,0,1|2,0,0]=4 1050 B11R0.85 NC(=O)CNC(=O)NCC(F)F 273464a_100000711301_100000765723 [0,0,1,0,0,1|2,0,0]=4 1051 B11R0.85 NC(=O)CNC(=O)NCC(F)F 273464a_100000765723_100000711301 [0,0,1,0,0,1|2,0,0]=4 1052 B11R0.85 NC(=O)CNC(=O)NCC(F)F 512a_100000765723_100000711301 [0,0,1,0,0,1|2,0,0]=4 1053 B11R0.85 [13CH3]C(=O)CCC(=O)NCC(=O)N 1458a_200011309861_200025704644 [0,0,1,0,0,1|0,0,2]=4 1054 B11R1.147 C[C@H]1[C@H](CN1CCC(=O)N)O 2230a_206633788156_100000744528 [0,0,0,0,1,1|1,0,1]=4 1055 B11R1.147 C[C@H]1[C@H](CN1CCC(=O)N)O 269982a_206633788156_100000744528 [0,0,0,0,1,1|1,0,1]=4