0 B13R1.713 C=C(C)CN(CC)c1ccccc1 2230a_100000210013_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.713 C=C(C)CN(CC)c1ccccc1 269982a_100000210013_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.713 C=C(C)CN(CC)c1ccccc1 34a_100000210013_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.713 C=C(F)CN(CC)c1ccccc1 2230a_100000210013_100009893438 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.713 C=C(F)CN(CC)c1ccccc1 269982a_100000210013_100009893438 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.713 C=C(F)CN(CC)c1ccccc1 34a_100000210013_100009893438 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,0,0,0,0,0|1,0,2]=3 7 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.713 CC(=O)NC(C#N)c1ccccc1 1626a_100020627052_100015343762 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.713 CC(=O)NC(C#N)c1ccccc1 240690a_100020627052_100015343762 [0,0,0,0,0,0|2,0,2]=4 10 B13R1.713 CC(=O)NC(CO)c1ccccn1 240690a_100015196888_100015343762 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.713 CC(=O)NC(CO)c1ccccn1 527a_100015196888_100103153847 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.713 CC(=O)N[C@H](CO)c1ccncc1 240690a_100138412524_100015343762 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.713 CC(=O)N[C@H](CO)c1ccncc1 527a_100138412524_100103153847 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,0,0,0,0,0|3,0,0]=3 21 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.713 CCC(NC(=O)C)c1ccccn1 11a_100015186561_100015343762 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.713 CCC(NC(=O)C)c1ccccn1 1626a_100015186561_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.713 CCC(NC(=O)C)c1ccccn1 240690a_100015186561_100015343762 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.713 CCC(NC(=O)C)c1ccccn1 527a_100015186561_100103153847 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.713 CCC(NC(=O)C)c1cccnc1 11a_100000246009_100015343762 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.713 CCC(NC(=O)C)c1cccnc1 1626a_100000246009_100015343762 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.713 CCC(NC(=O)C)c1cccnc1 240690a_100000246009_100015343762 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.713 CCC(NC(=O)C)c1cccnc1 527a_100000246009_100103153847 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.713 CCC(NC(=O)C)c1ccncc1 11a_100000246010_100015343762 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.713 CCC(NC(=O)C)c1ccncc1 1626a_100000246010_100015343762 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.713 CCC(NC(=O)C)c1ccncc1 240690a_100000246010_100015343762 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.713 CCC(NC(=O)C)c1ccncc1 527a_100000246010_100103153847 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [0,0,0,0,0,0|3,0,0]=3 35 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [0,0,0,0,0,0|3,0,0]=3 36 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [0,0,0,0,0,0|3,0,0]=3 37 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [0,0,0,0,0,0|3,0,0]=3 38 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [0,0,0,0,0,0|3,0,0]=3 39 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,0,0,0,0,0|2,0,0]=2 40 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 269982a_100000210013_100020667443 [0,0,0,0,0,0|2,0,1]=3 41 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 34a_100000210013_100020667443 [0,0,0,0,0,0|2,0,1]=3 42 B13R1.713 CCN(CC(C)O)c1ccccc1 2230a_100000210013_100011218427 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.713 CCN(CC(C)O)c1ccccc1 269982a_100000210013_100011218427 [0,0,0,0,0,0|3,0,1]=4 44 B13R1.713 CCN(CC(C)O)c1ccccc1 34a_100000210013_100011218427 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 2230a_100000210013_100009817552 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 269982a_100000210013_100009817552 [0,0,0,0,0,0|3,0,1]=4 47 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 34a_100000210013_100009817552 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.713 CCN(C[N+](=O)[O-])c1ccccc1 269982a_100000210013_100000761209 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.713 CCN(C[N+](=O)[O-])c1ccccc1 34a_100000210013_100000761209 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,0,0,0,0,0|2,0,0]=2 52 B13R1.713 NC(=O)CN(CF)c1ccccc1 269982a_100000212578_100015361967 [0,0,0,0,0,0|3,0,0]=3 53 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,0,0,0,0,0|2,0,0]=2 54 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,0,0,0,0,0|1,0,2]=3 55 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,0,0,0,0,0|2,0,0]=2 56 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [0,0,0,0,0,0|3,0,0]=3 57 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,0,0,0,0,0|2,0,0]=2 58 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [1,0,0,0,0,0|3,0,0]=4 63 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [1,0,0,0,0,0|3,0,0]=4 64 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [1,0,0,0,0,0|3,0,0]=4 65 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.3 C=CCN(CF)c1ccccc1 269982a_100000211662_100015361967 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.3 C=CCN(CF)c1ccccc1 34a_100000211662_100015361967 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [1,0,0,0,0,0|2,0,0]=3 77 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [1,0,0,0,0,0|2,0,0]=3 78 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [1,0,0,0,0,0|2,0,1]=4 81 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [1,0,0,0,0,0|2,0,1]=4 82 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [1,0,0,0,0,0|2,0,1]=4 83 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [1,0,0,0,0,0|2,0,1]=4 85 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [1,0,0,0,0,0|2,0,1]=4 86 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [1,0,0,0,0,0|2,0,1]=4 87 B12R1.3 OCCN(CF)c1ccccc1 269982a_100000211345_100015361967 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.3 OCCN(CF)c1ccccc1 34a_100000211345_100015361967 [1,0,0,0,0,0|2,0,1]=4 89 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [1,0,0,0,0,0|2,0,1]=4 90 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [1,0,0,0,0,0|3,0,0]=4 93 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [1,0,0,0,0,0|3,0,0]=4 94 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [1,0,0,0,0,0|3,0,0]=4 95 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [1,0,0,0,0,0|3,0,0]=4 96 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,0,0,0,0,0|1,0,2]=4 97 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,0,0,0,0,0|1,0,2]=4 98 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,0,0,0,0,0|2,0,1]=4 99 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,0,0,0,0,0|1,0,0]=2 100 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,0,0,0,0,0|1,0,0]=2 101 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,0,0,0,0,0|2,0,0]=3 102 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,0,0,0,0,0|2,0,0]=3 105 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [1,0,0,0,0,0|3,0,0]=4 106 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [1,0,0,0,0,0|3,0,0]=4 107 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [1,0,0,0,0,0|3,0,0]=4 108 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [1,0,0,0,0,0|3,0,0]=4 109 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [1,0,0,0,0,0|3,0,0]=4 110 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [1,0,0,0,0,0|3,0,0]=4 111 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [1,0,0,0,0,0|3,0,0]=4 112 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [1,0,0,0,0,0|3,0,0]=4 113 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [1,0,0,0,0,0|3,0,0]=4 114 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,0,0,0,0,0|2,0,0]=3 115 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,0,0,0,0,0|2,0,0]=3 116 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,0,0,0,0,0|2,0,0]=3 117 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,0,0,0,0,0|2,0,0]=3 118 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,0,0,0,0,0|2,0,1]=4 119 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,0,0,0,0,0|1,0,0]=2 120 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [1,0,0,0,0,0|2,0,1]=4 124 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [1,0,0,0,0,0|2,0,1]=4 125 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [1,0,0,0,0,0|2,0,1]=4 126 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [1,0,0,0,0,0|2,0,0]=3 127 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [1,0,0,0,0,0|2,0,0]=3 131 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,0,0,0,0,0|1,0,0]=2 132 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [1,0,0,0,0,0|1,0,1]=3 134 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [1,0,0,0,0,0|1,0,1]=3 135 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [1,0,0,0,0,0|2,0,1]=4 136 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [1,0,0,0,0,0|2,0,1]=4 137 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [1,0,0,0,0,0|2,0,1]=4 138 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [1,0,0,0,0,0|2,0,1]=4 139 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [1,0,0,0,0,0|2,0,1]=4 140 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,0,0,0,0,0|2,0,1]=4 141 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,0,0,0,0,0|1,0,2]=4 142 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,0,0,0,0,0|2,0,0]=3 143 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [1,0,0,0,0,0|2,0,0]=3 144 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [1,0,0,0,0,0|2,0,0]=3 145 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,0,0,0,0,0|1,0,0]=2 146 B14R1.515 C#CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000038162 [0,1,0,0,0,0|3,0,0]=4 147 B14R1.515 C#CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000184674 [0,1,0,0,0,0|2,0,0]=3 148 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 2230a_100000211662_100000747473 [0,1,0,0,0,0|3,0,0]=4 149 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210623 [0,1,0,0,0,0|3,0,0]=4 150 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 269982a_100000211662_100000187820 [0,1,0,0,0,0|3,0,0]=4 151 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000210623 [0,1,0,0,0,0|3,0,0]=4 152 B14R1.515 C=CCN(CC(=O)N)c1ccccc1 34a_100000211662_100000187820 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.515 C=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210623 [0,1,0,0,0,0|2,0,0]=3 154 B14R1.515 C=CCN(CC(=O)[O-])c1ccccc1 269982a_100000211662_100020667443 [0,1,0,0,0,0|2,0,1]=4 155 B14R1.515 C=CCN(CC(=O)[O-])c1ccccc1 34a_100000211662_100020667443 [0,1,0,0,0,0|2,0,1]=4 156 B14R1.515 CC(=O)NC(CO[13CH3])c1ccccc1 34a_100011822529_200025704644 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.515 CC(=O)NC(CO[13CH3])c1ccccc1 7a_100011822529_200025704644 [0,1,0,0,0,0|3,0,0]=4 158 B14R1.515 CC(=O)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100015343762 [0,1,0,0,0,0|3,0,0]=4 159 B14R1.515 CC(=O)N[C@@H](CCO)c1ccccc1 527a_100025705951_100103153847 [0,1,0,0,0,0|3,0,0]=4 160 B14R1.515 CCCC(NC(=O)C)c1ccccc1 11a_100000189686_100015343762 [0,1,0,0,0,0|3,0,0]=4 161 B14R1.515 CCCC(NC(=O)C)c1ccccc1 1626a_100000189686_100015343762 [0,1,0,0,0,0|3,0,0]=4 162 B14R1.515 CCCC(NC(=O)C)c1ccccc1 240690a_100000189686_100015343762 [0,1,0,0,0,0|3,0,0]=4 163 B14R1.515 CCCC(NC(=O)C)c1ccccc1 527a_100000189686_100103153847 [0,1,0,0,0,0|3,0,0]=4 164 B14R1.515 CCCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210303 [0,1,0,0,0,0|3,0,0]=4 165 B14R1.515 CCCN(CC(=O)N)c1ccccc1 2230a_200011218496_100000747473 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.515 CCCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000210303 [0,1,0,0,0,0|3,0,0]=4 167 B14R1.515 CCCN(CC(=O)N)c1ccccc1 269982a_200011218496_100000187820 [0,1,0,0,0,0|3,0,0]=4 168 B14R1.515 CCCN(CC(=O)N)c1ccccc1 34a_200011218496_100000187820 [0,1,0,0,0,0|3,0,0]=4 169 B14R1.515 CCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210207 [0,1,0,0,0,0|2,0,0]=3 170 B14R1.515 CCCN(CC(=O)[O-])c1ccccc1 269982a_200011218496_100020667443 [0,1,0,0,0,0|2,0,1]=4 171 B14R1.515 CCCN(CC(=O)[O-])c1ccccc1 34a_200011218496_100020667443 [0,1,0,0,0,0|2,0,1]=4 172 B14R1.515 CCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100000210202 [0,1,0,0,0,0|2,0,0]=3 173 B14R1.515 CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210202 [0,1,0,0,0,0|1,0,0]=2 174 B14R1.515 CNCC(CC(=O)O)c1ccccc1 269956a_100016987574_200000210301 [0,1,0,0,0,0|0,0,0]=1 175 B14R1.515 COCC(NC(=O)C)c1ccccc1 34a_100011822529_200000210301 [0,1,0,0,0,0|3,0,0]=4 176 B14R1.515 COCC(NC(=O)C)c1ccccc1 7a_100011822529_200000210301 [0,1,0,0,0,0|3,0,0]=4 177 B14R1.515 COCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000766300 [0,1,0,0,0,0|3,0,0]=4 178 B14R1.515 COCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000766300 [0,1,0,0,0,0|3,0,0]=4 179 B14R1.515 COCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000766300 [0,1,0,0,0,0|2,0,0]=3 180 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 11a_103619048568_100015343762 [0,1,0,0,0,0|3,0,0]=4 181 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 1626a_103619048568_100015343762 [0,1,0,0,0,0|3,0,0]=4 182 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 240690a_103619048568_100015343762 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 527a_103619048568_100103153847 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.515 CSCN(CC(=O)N)c1ccccc1 2230a_100000212578_100011218213 [0,1,0,0,0,0|3,0,0]=4 185 B14R1.515 CSCN(CC(=O)N)c1ccccc1 269982a_100000212578_100011218213 [0,1,0,0,0,0|3,0,0]=4 186 B14R1.515 CSCN(CC(=O)O)c1ccccc1 269956a_100000212060_100011218213 [0,1,0,0,0,0|2,0,0]=3 187 B14R1.515 N#CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100011215382 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.515 N#CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100011214920 [0,1,0,0,0,0|2,0,1]=4 189 B14R1.515 N#CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100011215382 [0,1,0,0,0,0|1,0,1]=3 190 B14R1.515 NC(=O)CN(CC=O)c1ccccc1 2230a_100000212578_200015260668 [0,1,0,0,0,0|3,0,0]=4 191 B14R1.515 NC(=O)CN(CC=O)c1ccccc1 269982a_100000212578_200015260668 [0,1,0,0,0,0|3,0,0]=4 192 B14R1.515 NC(=O)CN(CCF)c1ccccc1 2230a_100000212578_100011217306 [0,1,0,0,0,0|3,0,0]=4 193 B14R1.515 NC(=O)CN(CCF)c1ccccc1 269982a_100000212578_100011217306 [0,1,0,0,0,0|3,0,0]=4 194 B14R1.515 NC(=O)CN(CCO)c1ccccc1 2230a_100000211345_100000747473 [0,1,0,0,0,0|3,0,0]=4 195 B14R1.515 NC(=O)CN(CCO)c1ccccc1 2230a_100000212578_100000211926 [0,1,0,0,0,0|3,0,0]=4 196 B14R1.515 NC(=O)CN(CCO)c1ccccc1 269982a_100000211345_100000187820 [0,1,0,0,0,0|3,0,0]=4 197 B14R1.515 NC(=O)CN(CCO)c1ccccc1 269982a_100000212578_100000211926 [0,1,0,0,0,0|3,0,0]=4 198 B14R1.515 NC(=O)CN(CCO)c1ccccc1 34a_100000211345_100000187820 [0,1,0,0,0,0|3,0,0]=4 199 B14R1.515 O=C(O)CC(NCF)c1cccnc1 269956a_100000239604_100015361967 [0,1,0,0,0,0|2,0,0]=3 200 B14R1.515 O=C(O)CN(CCF)c1ccccc1 269956a_100000212060_100011217306 [0,1,0,0,0,0|2,0,0]=3 201 B14R1.515 O=C(O)CN(CCO)c1ccccc1 269956a_100000212060_100000211926 [0,1,0,0,0,0|2,0,0]=3 202 B14R1.515 O=C(O)C[C@H](NCF)c1ccccc1 269956a_100000751379_100015361967 [0,1,0,0,0,0|1,0,0]=2 203 B14R1.515 O=C([O-])CN(CCO)c1ccccc1 269982a_100000211345_100020667443 [0,1,0,0,0,0|2,0,1]=4 204 B14R1.515 O=C([O-])CN(CCO)c1ccccc1 34a_100000211345_100020667443 [0,1,0,0,0,0|2,0,1]=4 205 B14R1.515 O=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_200015260668 [0,1,0,0,0,0|2,0,0]=3 206 B14R1.515 [13CH3]NCC(CC(=O)O)c1ccccc1 269956a_100016987574_200025704644 [0,1,0,0,0,0|0,0,0]=1 207 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100015343762 [0,1,0,0,0,0|3,0,0]=4 208 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 527a_100000734186_100103153847 [0,1,0,0,0,0|3,0,0]=4 209 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)F 240690a_100000705410_100015343762 [0,1,0,0,0,0|3,0,0]=4 210 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)F 527a_100000705410_100103153847 [0,1,0,0,0,0|3,0,0]=4 211 B14R1.1019 CC(=O)N[C@@H](CO)c1ccc(cc1)C 240690a_100009818840_100015343762 [0,1,0,0,0,0|3,0,0]=4 212 B14R1.1019 CC(=O)N[C@@H](CO)c1ccc(cc1)C 527a_100009818840_100103153847 [0,1,0,0,0,0|3,0,0]=4 213 B14R1.1019 CC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100015343762 [0,1,0,0,0,0|3,0,0]=4 214 B14R1.1019 CC(=O)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100103153847 [0,1,0,0,0,0|3,0,0]=4 215 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 11a_100000749201_100015343762 [0,1,0,0,0,0|3,0,0]=4 216 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 1626a_100000749201_100015343762 [0,1,0,0,0,0|3,0,0]=4 217 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 240690a_100000749201_100015343762 [0,1,0,0,0,0|3,0,0]=4 218 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 527a_100000749201_100103153847 [0,1,0,0,0,0|3,0,0]=4 219 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 11a_100011191751_100015343762 [0,1,0,0,0,0|3,0,0]=4 220 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 1626a_100011191751_100015343762 [0,1,0,0,0,0|3,0,0]=4 221 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 240690a_100011191751_100015343762 [0,1,0,0,0,0|3,0,0]=4 222 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 527a_100011191751_100103153847 [0,1,0,0,0,0|3,0,0]=4 223 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 1626a_100015187210_100015343762 [0,1,0,0,0,0|3,0,0]=4 224 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 240690a_100015187210_100015343762 [0,1,0,0,0,0|3,0,0]=4 225 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 527a_100015187210_100103153847 [0,1,0,0,0,0|3,0,0]=4 226 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219632_100000747473 [0,1,0,0,0,0|3,0,0]=4 227 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219632_100000187820 [0,1,0,0,0,0|3,0,0]=4 228 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Br 34a_100000219632_100000187820 [0,1,0,0,0,0|3,0,0]=4 229 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)C 2230a_100000219985_100000747473 [0,1,0,0,0,0|3,0,0]=4 230 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)C 269982a_100000219985_100000187820 [0,1,0,0,0,0|3,0,0]=4 231 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)C 34a_100000219985_100000187820 [0,1,0,0,0,0|3,0,0]=4 232 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Cl 2230a_100000220165_100000747473 [0,1,0,0,0,0|3,0,0]=4 233 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Cl 269982a_100000220165_100000187820 [0,1,0,0,0,0|3,0,0]=4 234 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Cl 34a_100000220165_100000187820 [0,1,0,0,0,0|3,0,0]=4 235 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)F 2230a_100102640331_100000747473 [0,1,0,0,0,0|3,0,0]=4 236 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)F 269982a_100102640331_100000187820 [0,1,0,0,0,0|3,0,0]=4 237 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)F 34a_100102640331_100000187820 [0,1,0,0,0,0|3,0,0]=4 238 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)O 2230a_100011337800_100000747473 [0,1,0,0,0,0|3,0,0]=4 239 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)O 269982a_100011337800_100000187820 [0,1,0,0,0,0|3,0,0]=4 240 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)O 34a_100011337800_100000187820 [0,1,0,0,0,0|3,0,0]=4 241 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210202 [0,1,0,0,0,0|2,0,0]=3 242 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210202 [0,1,0,0,0,0|2,0,0]=3 243 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210202 [0,1,0,0,0,0|2,0,0]=3 244 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210202 [0,1,0,0,0,0|2,0,0]=3 245 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219632_100020667443 [0,1,0,0,0,0|2,0,1]=4 246 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219632_100020667443 [0,1,0,0,0,0|2,0,1]=4 247 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)C 269982a_100000219985_100020667443 [0,1,0,0,0,0|2,0,1]=4 248 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)C 34a_100000219985_100020667443 [0,1,0,0,0,0|2,0,1]=4 249 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100000220165_100020667443 [0,1,0,0,0,0|2,0,1]=4 250 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100000220165_100020667443 [0,1,0,0,0,0|2,0,1]=4 251 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)F 269982a_100102640331_100020667443 [0,1,0,0,0,0|2,0,1]=4 252 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)F 34a_100102640331_100020667443 [0,1,0,0,0,0|2,0,1]=4 253 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)O 269982a_100011337800_100020667443 [0,1,0,0,0,0|2,0,1]=4 254 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)O 34a_100011337800_100020667443 [0,1,0,0,0,0|2,0,1]=4 255 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 11a_100025736560_100015343762 [0,1,0,0,0,0|3,0,0]=4 256 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 1626a_100025736560_100015343762 [0,1,0,0,0,0|3,0,0]=4 257 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 240690a_100025736560_100015343762 [0,1,0,0,0,0|3,0,0]=4 258 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 527a_100025736560_100103153847 [0,1,0,0,0,0|3,0,0]=4 259 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 11a_100015186824_100015343762 [0,1,0,0,0,0|3,0,0]=4 260 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 1626a_100015186824_100015343762 [0,1,0,0,0,0|3,0,0]=4 261 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 240690a_100015186824_100015343762 [0,1,0,0,0,0|3,0,0]=4 262 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 527a_100015186824_100103153847 [0,1,0,0,0,0|3,0,0]=4 263 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200000210301 [0,1,0,0,0,0|2,0,0]=3 264 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200000210301 [0,1,0,0,0,0|2,0,0]=3 266 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B14R1.1019 CN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200000210301 [0,1,0,0,0,0|2,0,0]=3 268 B14R1.1019 Cc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_100000183803_200025704644 [0,1,0,0,0,0|2,0,0]=3 269 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)Br 269956a_100000756367_100015361967 [0,1,0,0,0,0|2,0,0]=3 270 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)Cl 269956a_100000741738_100015361967 [0,1,0,0,0,0|2,0,0]=3 271 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)F 269956a_100011202419_100015361967 [0,1,0,0,0,0|2,0,0]=3 272 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)I 269956a_200011249329_100015361967 [0,1,0,0,0,0|2,0,0]=3 273 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200025704644 [0,1,0,0,0,0|2,0,0]=3 274 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200025704644 [0,1,0,0,0,0|2,0,0]=3 275 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200025704644 [0,1,0,0,0,0|2,0,0]=3 276 B14R1.1019 [13CH3]N[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200025704644 [0,1,0,0,0,0|2,0,0]=3 277 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)Br 240690a_100000690078_100015343762 [0,1,0,0,0,0|3,0,0]=4 278 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)Br 527a_100000690078_100103153847 [0,1,0,0,0,0|3,0,0]=4 279 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)O 240690a_100025717460_100015343762 [0,1,0,0,0,0|3,0,0]=4 280 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)O 527a_100025717460_100103153847 [0,1,0,0,0,0|3,0,0]=4 281 B14R1.1020 CC(=O)N[C@@H](CO)c1cccc(c1)Cl 240690a_100032004910_100015343762 [0,1,0,0,0,0|3,0,0]=4 282 B14R1.1020 CC(=O)N[C@@H](CO)c1cccc(c1)Cl 527a_100032004910_100103153847 [0,1,0,0,0,0|3,0,0]=4 283 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)C 240690a_100009818812_100015343762 [0,1,0,0,0,0|3,0,0]=4 284 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)C 527a_100009818812_100103153847 [0,1,0,0,0,0|3,0,0]=4 285 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)F 240690a_100020641251_100015343762 [0,1,0,0,0,0|3,0,0]=4 286 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)F 527a_100020641251_100103153847 [0,1,0,0,0,0|3,0,0]=4 287 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 11a_100000737531_100015343762 [0,1,0,0,0,0|3,0,0]=4 288 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 1626a_100000737531_100015343762 [0,1,0,0,0,0|3,0,0]=4 289 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 240690a_100000737531_100015343762 [0,1,0,0,0,0|3,0,0]=4 290 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 527a_100000737531_100103153847 [0,1,0,0,0,0|3,0,0]=4 291 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 11a_100159265421_100015343762 [0,1,0,0,0,0|3,0,0]=4 292 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 1626a_100159265421_100015343762 [0,1,0,0,0,0|3,0,0]=4 293 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 240690a_100159265421_100015343762 [0,1,0,0,0,0|3,0,0]=4 294 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 527a_100159265421_100103153847 [0,1,0,0,0,0|3,0,0]=4 295 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)O 1626a_100159312145_100015343762 [0,1,0,0,0,0|3,0,0]=4 296 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)O 240690a_100159312145_100015343762 [0,1,0,0,0,0|3,0,0]=4 297 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)O 527a_100159312145_100103153847 [0,1,0,0,0,0|3,0,0]=4 298 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)Br 2230a_100000738899_100000747473 [0,1,0,0,0,0|3,0,0]=4 299 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)Br 269982a_100000738899_100000187820 [0,1,0,0,0,0|3,0,0]=4 300 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)Br 34a_100000738899_100000187820 [0,1,0,0,0,0|3,0,0]=4 301 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)C 2230a_100000182157_100000747473 [0,1,0,0,0,0|3,0,0]=4 302 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)C 269982a_100000182157_100000187820 [0,1,0,0,0,0|3,0,0]=4 303 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)C 34a_100000182157_100000187820 [0,1,0,0,0,0|3,0,0]=4 304 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)C 7a_100000182157_100000187820 [0,1,0,0,0,0|3,0,0]=4 305 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)O 2230a_100000717746_100000747473 [0,1,0,0,0,0|3,0,0]=4 306 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)O 269982a_100000717746_100000187820 [0,1,0,0,0,0|3,0,0]=4 307 B14R1.1020 CCN(CC(=O)N)c1cccc(c1)O 34a_100000717746_100000187820 [0,1,0,0,0,0|3,0,0]=4 308 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000210202 [0,1,0,0,0,0|2,0,0]=3 309 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000210202 [0,1,0,0,0,0|2,0,0]=3 310 B14R1.1020 CCN(CC(=O)[O-])c1cccc(c1)Br 269982a_100000738899_100020667443 [0,1,0,0,0,0|2,0,1]=4 311 B14R1.1020 CCN(CC(=O)[O-])c1cccc(c1)Br 34a_100000738899_100020667443 [0,1,0,0,0,0|2,0,1]=4 312 B14R1.1020 CCN(CC(=O)[O-])c1cccc(c1)C 269982a_100000182157_100020667443 [0,1,0,0,0,0|2,0,1]=4 313 B14R1.1020 CCN(CC(=O)[O-])c1cccc(c1)C 34a_100000182157_100020667443 [0,1,0,0,0,0|2,0,1]=4 314 B14R1.1020 CCN(CC(=O)[O-])c1cccc(c1)O 269982a_100000717746_100020667443 [0,1,0,0,0,0|2,0,1]=4 315 B14R1.1020 CCN(CC(=O)[O-])c1cccc(c1)O 34a_100000717746_100020667443 [0,1,0,0,0,0|2,0,1]=4 316 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 11a_200016991486_100015343762 [0,1,0,0,0,0|3,0,0]=4 317 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 1626a_200016991486_100015343762 [0,1,0,0,0,0|3,0,0]=4 318 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 240690a_200016991486_100015343762 [0,1,0,0,0,0|3,0,0]=4 319 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 527a_200016991486_100103153847 [0,1,0,0,0,0|3,0,0]=4 320 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 11a_100102422761_100015343762 [0,1,0,0,0,0|3,0,0]=4 321 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 1626a_100102422761_100015343762 [0,1,0,0,0,0|3,0,0]=4 322 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 240690a_100102422761_100015343762 [0,1,0,0,0,0|3,0,0]=4 323 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 527a_100102422761_100103153847 [0,1,0,0,0,0|3,0,0]=4 324 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_200000210301 [0,1,0,0,0,0|2,0,0]=3 325 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)C 269956a_100000737193_200000210301 [0,1,0,0,0,0|2,0,0]=3 326 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_200000210301 [0,1,0,0,0,0|2,0,0]=3 327 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B14R1.1020 Cc1cccc(c1)C(CC(=O)O)N[13CH3] 269956a_100000737193_200025704644 [0,1,0,0,0,0|2,0,0]=3 329 B14R1.1020 O=C(O)CN(CF)c1cccc(c1)Br 269956a_200011202421_100015361967 [0,1,0,0,0,0|2,0,0]=3 330 B14R1.1020 O=C(O)CN(CF)c1cccc(c1)Cl 269956a_100000741870_100015361967 [0,1,0,0,0,0|2,0,0]=3 331 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_200025704644 [0,1,0,0,0,0|2,0,0]=3 333 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_200025704644 [0,1,0,0,0,0|2,0,0]=3 334 B14R1.1027 CC(C(=O)O)N(CF)c1ccccc1 269956a_100000189636_100015361967 [0,1,0,0,0,0|2,0,0]=3 335 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 11a_100000737544_100015343762 [0,1,0,0,0,0|3,0,0]=4 336 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 1626a_100000737544_100015343762 [0,1,0,0,0,0|3,0,0]=4 337 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 240690a_100000737544_100015343762 [0,1,0,0,0,0|3,0,0]=4 338 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 527a_100000737544_100103153847 [0,1,0,0,0,0|3,0,0]=4 339 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)C 2230a_100000210013_100009814033 [0,1,0,0,0,0|3,0,0]=4 340 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)C 269982a_100000210013_100009814033 [0,1,0,0,0,0|3,0,0]=4 341 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)N 2230a_100000210013_100000702099 [0,1,0,0,0,0|3,0,0]=4 342 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)N 269982a_100000210013_100000184083 [0,1,0,0,0,0|3,0,0]=4 343 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)N 34a_100000210013_100000702099 [0,1,0,0,0,0|3,0,0]=4 344 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210202 [0,1,0,0,0,0|2,0,0]=3 345 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)N 2230a_100000210013_100009813875 [0,1,0,0,0,0|3,0,0]=4 346 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)N 269982a_100000210013_100009813875 [0,1,0,0,0,0|3,0,0]=4 347 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)N 34a_100000210013_100009813875 [0,1,0,0,0,0|3,0,0]=4 348 B14R1.1027 CCN(c1ccccc1)C(F)C(=O)[O-] 34a_100000210013_100020610796 [0,1,0,0,0,0|2,0,1]=4 349 B14R1.3297 C=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000185746 [0,1,0,0,0,0|3,0,0]=4 350 B14R1.3297 C=CC(=O)NC(CC)c1ccccc1 240690a_100000737752_200121576911 [0,1,0,0,0,0|3,0,0]=4 351 B14R1.3297 C=CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_200121576911 [0,1,0,0,0,0|3,0,0]=4 352 B14R1.3297 CC(CO)OC(CN)c1ccccc1 34a_100000210709_100012180447 [0,1,0,0,0,0|2,0,1]=4 353 B14R1.3297 CCC(=O)CC(C#N)c1ccccc1 1458a_200000079825_100000210202 [0,1,0,0,0,0|1,0,2]=4 354 B14R1.3297 CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210202 [0,1,0,0,0,0|2,0,0]=3 355 B14R1.3297 CCC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000747405 [0,1,0,0,0,0|3,0,0]=4 356 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210414 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210414 [0,1,0,0,0,0|3,0,0]=4 358 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210414 [0,1,0,0,0,0|3,0,0]=4 359 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000210414 [0,1,0,0,0,0|3,0,0]=4 360 B14R1.3297 CCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210414 [0,1,0,0,0,0|3,0,0]=4 361 B14R1.3297 CCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000210414 [0,1,0,0,0,0|3,0,0]=4 362 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 240690a_100000737752_100000210174 [0,1,0,0,0,0|2,0,0]=3 363 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 527a_100000737752_100000210174 [0,1,0,0,0,0|2,0,0]=3 364 B14R1.3297 CCC(NC(=O)CO)c1ccccn1 240690a_100015186561_100000210174 [0,1,0,0,0,0|3,0,0]=4 365 B14R1.3297 CCC(NC(=O)CO)c1ccccn1 527a_100015186561_100000210174 [0,1,0,0,0,0|3,0,0]=4 366 B14R1.3297 CCC(NC(=O)CO)c1cccnc1 240690a_100000246009_100000210174 [0,1,0,0,0,0|3,0,0]=4 367 B14R1.3297 CCC(NC(=O)CO)c1cccnc1 527a_100000246009_100000210174 [0,1,0,0,0,0|3,0,0]=4 368 B14R1.3297 CCC(NC(=O)CO)c1ccncc1 240690a_100000246010_100000210174 [0,1,0,0,0,0|3,0,0]=4 369 B14R1.3297 CCC(NC(=O)CO)c1ccncc1 527a_100000246010_100000210174 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 2708a_100000737752_106832991635 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 2708a_100102657272_100000737752 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 273464a_100000737752_100102657272 [0,1,0,0,0,0|3,0,0]=4 373 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 273464a_100102657272_100000737752 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 512a_100000737752_100102657272 [0,1,0,0,0,0|3,0,0]=4 375 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 512a_106832991638_100000737752 [0,1,0,0,0,0|3,0,0]=4 376 B14R1.3297 CCN(CC(=O)NC)c1ccccc1 2230a_100000210013_100000183359 [0,1,0,0,0,0|3,0,0]=4 377 B14R1.3297 CCN(CC(=O)NC)c1ccccc1 269982a_100000210013_100000183359 [0,1,0,0,0,0|3,0,0]=4 378 B14R1.3297 CCN(CC(=O)NC)c1ccccc1 34a_100000210013_100000183359 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000210013_100000747449 [0,1,0,0,0,0|2,0,0]=3 380 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210202 [0,1,0,0,0,0|2,0,0]=3 381 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000210013_100000747449 [0,1,0,0,0,0|2,0,0]=3 382 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000204670 [0,1,0,0,0,0|2,0,0]=3 383 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 34a_100000210013_100000747449 [0,1,0,0,0,0|2,0,0]=3 384 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 11a_106832991635_200000079825 [0,1,0,0,0,0|1,0,2]=4 385 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 1626a_100102657272_200000079825 [0,1,0,0,0,0|1,0,2]=4 386 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 240690a_100102657272_200000079825 [0,1,0,0,0,0|1,0,2]=4 387 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 527a_100102657272_200000079825 [0,1,0,0,0,0|1,0,2]=4 388 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 1626a_100102657272_106726389045 [0,1,0,0,0,0|2,0,0]=3 389 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 240690a_100102657272_106726389045 [0,1,0,0,0,0|2,0,0]=3 390 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 2708a_100102657272_100000751927 [0,1,0,0,0,0|3,0,0]=4 391 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100102657272 [0,1,0,0,0,0|3,0,0]=4 392 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100102657272_100000751927 [0,1,0,0,0,0|3,0,0]=4 393 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 512a_106832991638_100000751927 [0,1,0,0,0,0|3,0,0]=4 394 B14R1.3297 COC(=O)CN(CF)c1ccccc1 269982a_100000757779_100015361967 [0,1,0,0,0,0|2,0,0]=3 395 B14R1.3297 N#CC(CC(=O)CF)c1ccccc1 1458a_200000079825_100015361967 [0,1,0,0,0,0|1,0,2]=4 396 B14R1.3297 N#CC(NC(=O)CO)c1ccccc1 240690a_100020627052_100000210174 [0,1,0,0,0,0|1,0,2]=4 397 B14R1.3297 O=C(CF)CC(CO)c1ccccc1 1458a_106726389045_100015361967 [0,1,0,0,0,0|2,0,0]=3 398 B14R1.3297 O=C(CO)NC(CO)c1ccccn1 240690a_100015196888_100000210174 [0,1,0,0,0,0|3,0,0]=4 399 B14R1.3297 O=C(CO)NC(CO)c1ccccn1 527a_100015196888_100000210174 [0,1,0,0,0,0|3,0,0]=4 400 B14R1.3297 O=C(CO)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210174 [0,1,0,0,0,0|2,0,0]=3 401 B14R1.3297 O=C(CO)N[C@H](CO)c1ccccc1 527a_100000751927_100000210174 [0,1,0,0,0,0|2,0,0]=3 402 B14R1.3297 O=C(CO)N[C@H](CO)c1ccncc1 240690a_100138412524_100000210174 [0,1,0,0,0,0|3,0,0]=4 403 B14R1.3297 O=C(CO)N[C@H](CO)c1ccncc1 527a_100138412524_100000210174 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100015343762 [0,1,0,0,0,0|2,0,1]=4 405 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100015343762 [0,1,0,0,0,0|2,0,1]=4 406 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100015343762 [0,1,0,0,0,0|2,0,1]=4 407 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100103153847 [0,1,0,0,0,0|2,0,1]=4 408 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 11a_100134616770_100015343762 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 240690a_100134616770_100015343762 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 527a_100134616770_100103153847 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 11a_100015186014_100015343762 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 1626a_100015186014_100015343762 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 240690a_100015186014_100015343762 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 527a_100015186014_100103153847 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.6455 CC(C)N(CC(=O)N)c1ccccc1 2230a_100000210572_100000747473 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.6455 CC(C)N(CC(=O)N)c1ccccc1 2230a_100000212578_100000210206 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.6455 CC(C)N(CC(=O)N)c1ccccc1 269982a_100000210572_100000187820 [0,1,0,0,0,0|3,0,0]=4 418 B14R1.6455 CC(C)N(CC(=O)N)c1ccccc1 269982a_100000212578_100000210206 [0,1,0,0,0,0|3,0,0]=4 419 B14R1.6455 CC(C)N(CC(=O)N)c1ccccc1 34a_100000210572_100000187820 [0,1,0,0,0,0|3,0,0]=4 420 B14R1.6455 CC(C)N(CC(=O)N)c1ccccc1 7a_100000210572_100000187820 [0,1,0,0,0,0|3,0,0]=4 421 B14R1.6455 CC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100000210206 [0,1,0,0,0,0|2,0,0]=3 422 B14R1.6455 CC(C)N(CC(=O)[O-])c1ccccc1 269982a_100000210572_100020667443 [0,1,0,0,0,0|2,0,1]=4 423 B14R1.6455 CC(C)N(CC(=O)[O-])c1ccccc1 34a_100000210572_100020667443 [0,1,0,0,0,0|2,0,1]=4 424 B14R1.6474 CC(=O)NC(CO)c1ccccc1Cl 240690a_100138412506_100015343762 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.6474 CC(=O)NC(CO)c1ccccc1Cl 527a_100138412506_100103153847 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.6474 CC(=O)N[C@@H](CO)c1ccccc1F 240690a_100009818778_100015343762 [0,1,0,0,0,0|3,0,0]=4 427 B14R1.6474 CC(=O)N[C@@H](CO)c1ccccc1F 527a_100009818778_100103153847 [0,1,0,0,0,0|3,0,0]=4 428 B14R1.6474 CC(=O)N[C@H](CO)c1ccccc1Br 240690a_100161155918_100015343762 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.6474 CC(=O)N[C@H](CO)c1ccccc1Br 527a_100161155918_100103153847 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.6474 CCN(CC(=O)N)c1ccccc1Br 2230a_114873767003_100000747473 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.6474 CCN(CC(=O)N)c1ccccc1Br 269982a_114873767003_100000187820 [0,1,0,0,0,0|3,0,0]=4 432 B14R1.6474 CCN(CC(=O)N)c1ccccc1Br 34a_114873767003_100000187820 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.6474 CCN(CC(=O)N)c1ccccc1C 2230a_100000211084_100000747473 [0,1,0,0,0,0|3,0,0]=4 434 B14R1.6474 CCN(CC(=O)N)c1ccccc1C 269982a_100000211084_100000187820 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.6474 CCN(CC(=O)N)c1ccccc1C 34a_100000211084_100000187820 [0,1,0,0,0,0|3,0,0]=4 436 B14R1.6474 CCN(CC(=O)N)c1ccccc1F 2230a_100000220365_100000747473 [0,1,0,0,0,0|3,0,0]=4 437 B14R1.6474 CCN(CC(=O)N)c1ccccc1F 269982a_100000220365_100000187820 [0,1,0,0,0,0|3,0,0]=4 438 B14R1.6474 CCN(CC(=O)N)c1ccccc1F 34a_100000220365_100000187820 [0,1,0,0,0,0|3,0,0]=4 439 B14R1.6474 CCN(CC(=O)N)c1ccccc1O 269982a_103624766699_100000187820 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.6474 CCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000210202 [0,1,0,0,0,0|2,0,0]=3 441 B14R1.6474 CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000210202 [0,1,0,0,0,0|2,0,0]=3 442 B14R1.6474 CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000210202 [0,1,0,0,0,0|2,0,0]=3 443 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1Br 269982a_114873767003_100020667443 [0,1,0,0,0,0|2,0,1]=4 444 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1Br 34a_114873767003_100020667443 [0,1,0,0,0,0|2,0,1]=4 445 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1C 269982a_100000211084_100020667443 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1C 34a_100000211084_100020667443 [0,1,0,0,0,0|2,0,1]=4 447 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1F 269982a_100000220365_100020667443 [0,1,0,0,0,0|2,0,1]=4 448 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1F 34a_100000220365_100020667443 [0,1,0,0,0,0|2,0,1]=4 449 B14R1.6474 CCN(CC(=O)[O-])c1ccccc1O 269982a_103624766699_100020667443 [0,1,0,0,0,0|2,0,1]=4 450 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 11a_200016987949_100015343762 [0,1,0,0,0,0|3,0,0]=4 451 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 1626a_200016987949_100015343762 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 240690a_200016987949_100015343762 [0,1,0,0,0,0|3,0,0]=4 453 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 527a_200016987949_100103153847 [0,1,0,0,0,0|3,0,0]=4 454 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 11a_100015190424_100015343762 [0,1,0,0,0,0|3,0,0]=4 455 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 1626a_100015190424_100015343762 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 240690a_100015190424_100015343762 [0,1,0,0,0,0|3,0,0]=4 457 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 527a_100015190424_100103153847 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.6474 CNC(CC(=O)O)c1ccccc1Br 269956a_100011224113_200000210301 [0,1,0,0,0,0|2,0,0]=3 459 B14R1.6474 CNC(CC(=O)O)c1ccccc1C 269956a_100000751382_200000210301 [0,1,0,0,0,0|2,0,0]=3 460 B14R1.6474 CNC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B14R1.6474 CNC(CC(=O)O)c1ccccc1F 269956a_100000182082_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B14R1.6474 Cc1ccccc1C(CC(=O)O)N[13CH3] 269956a_100000751382_200025704644 [0,1,0,0,0,0|2,0,0]=3 463 B14R1.6474 Cc1ccccc1N(CF)CC(=O)O 269956a_200011202413_100015361967 [0,1,0,0,0,0|2,0,0]=3 464 B14R1.6474 O=C(O)CN(CF)c1ccccc1Cl 269956a_100000742597_100015361967 [0,1,0,0,0,0|2,0,0]=3 465 B14R1.6474 O=C(O)CN(CF)c1ccccc1F 269956a_200011202418_100015361967 [0,1,0,0,0,0|2,0,0]=3 466 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1Br 269956a_100011224113_200025704644 [0,1,0,0,0,0|2,0,0]=3 467 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_200025704644 [0,1,0,0,0,0|2,0,0]=3 468 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1F 269956a_100000182082_200025704644 [0,1,0,0,0,0|2,0,0]=3 469 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [0,0,0,1,0,0|2,0,0]=3 470 B14R2.2 CC(=O)CN1CCc2c1cccc2 1458a_100000742689_200000210301 [0,0,0,1,0,0|3,0,0]=4 471 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,1,0,0|1,0,2]=4 472 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [0,0,0,1,0,0|2,0,1]=4 473 B14R2.2 CC(=O)NC1COc2c1cccc2 11a_100000747519_100015343762 [0,0,0,1,0,0|3,0,0]=4 474 B14R2.2 CC(=O)NC1COc2c1cccc2 1626a_100000747519_100015343762 [0,0,0,1,0,0|3,0,0]=4 475 B14R2.2 CC(=O)NC1COc2c1cccc2 240690a_100000747519_100015343762 [0,0,0,1,0,0|3,0,0]=4 476 B14R2.2 CC(=O)NC1COc2c1cccc2 527a_100000747519_100103153847 [0,0,0,1,0,0|3,0,0]=4 477 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100015343762 [0,0,0,1,0,0|3,0,0]=4 478 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100015343762 [0,0,0,1,0,0|3,0,0]=4 479 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100015343762 [0,0,0,1,0,0|3,0,0]=4 480 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100103153847 [0,0,0,1,0,0|3,0,0]=4 481 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [0,0,0,1,0,0|2,0,0]=3 482 B14R2.2 [13CH3]C(=O)CN1CCc2c1cccc2 1458a_100000742689_200025704644 [0,0,0,1,0,0|3,0,0]=4 483 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,1,0,0|1,0,2]=4 484 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [0,0,0,1,0,0|2,0,1]=4 485 B14R2.780 CC(=O)N1CCC1c2ccccc2 11a_100000739605_100015343762 [0,0,0,1,0,0|3,0,0]=4 486 B14R2.780 CC(=O)N1CCC1c2ccccc2 1626a_100000739605_100015343762 [0,0,0,1,0,0|3,0,0]=4 487 B14R2.780 CC(=O)N1CCC1c2ccccc2 240690a_100000739605_100015343762 [0,0,0,1,0,0|3,0,0]=4 488 B14R2.780 CC(=O)N1CCC1c2ccccc2 527a_100000739605_100103153847 [0,0,0,1,0,0|3,0,0]=4 489 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 11a_100000749958_100015343762 [0,0,0,1,0,0|3,0,0]=4 490 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 1626a_100000749958_100015343762 [0,0,0,1,0,0|3,0,0]=4 491 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 240690a_100000749958_100015343762 [0,0,0,1,0,0|3,0,0]=4 492 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 527a_100000749958_100103153847 [0,0,0,1,0,0|3,0,0]=4 493 B12R1.476 CNC(CC(=O)O)c1cccs1 269956a_100000238659_200000210301 [0,0,0,0,1,0|3,0,0]=4 494 B12R1.476 CNC(CC(=O)O)c1ccsc1 269956a_100000736382_200000210301 [0,0,0,0,1,0|3,0,0]=4 495 B12R1.476 [13CH3]NC(CC(=O)O)c1cccs1 269956a_100000238659_200025704644 [0,0,0,0,1,0|3,0,0]=4 496 B12R1.476 [13CH3]NC(CC(=O)O)c1ccsc1 269956a_100000736382_200025704644 [0,0,0,0,1,0|3,0,0]=4 497 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,0,0,0,1,0|2,0,0]=3 498 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,0,0,0,1,0|3,0,0]=4 499 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,0,0,0,1,0|3,0,0]=4 500 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,0,0,0,1,0|2,0,0]=3 501 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,0,0,0,1,0|2,0,0]=3 502 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,0,0,0,1,0|3,0,0]=4 503 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,0,0,0,1,0|3,0,0]=4 504 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,0,0,0,1,0|3,0,0]=4 505 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,0,0,0,1,0|3,0,0]=4 506 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,0,0,0,1,0|3,0,0]=4 507 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,0,0,0,1,0|3,0,0]=4 508 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,0,0,0,1,0|3,0,0]=4 509 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,0,0,0,1,0|2,0,0]=3 510 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,0,0,0,1,0|3,0,0]=4 511 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,0,0,0,1,0|3,0,0]=4 512 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,0,0,0,1,0|3,0,0]=4 513 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,0,0,0,1,0|3,0,0]=4 514 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,0,0,0,1,0|3,0,0]=4 515 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,0,0,0,1,0|3,0,0]=4 516 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,0,0,0,1,0|3,0,0]=4 517 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,0,0,0,1,0|3,0,0]=4 518 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,0,0,0,1,0|3,0,0]=4 519 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,0,0,0,1,0|3,0,0]=4 520 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,0,0,0,1,0|2,0,0]=3 521 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,0,0,0,1,0|2,0,0]=3 522 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,0,0,0,1,0|3,0,0]=4 523 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,0,0,0,1,0|3,0,0]=4 524 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,0,0,0,1,0|3,0,0]=4 525 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,0,0,0,1,0|3,0,0]=4 526 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,0,0,0,1,0|3,0,0]=4 527 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,0,0,0,1,0|3,0,0]=4 528 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 34a_100011219616_100000187820 [0,0,0,0,0,1|2,0,1]=4 529 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 7a_100011219616_100000187820 [0,0,0,0,0,1|2,0,1]=4 530 B14R1.540 C#CC(OCC(=O)[O-])c1ccccc1 34a_100011219616_100020667443 [0,0,0,0,0,1|1,0,2]=4 531 B14R1.540 C=C(C)CNC(CC)c1ccccc1 2230a_100000737752_100000748629 [0,0,0,0,0,1|3,0,0]=4 532 B14R1.540 C=C(C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000748629 [0,0,0,0,0,1|3,0,0]=4 533 B14R1.540 C=C(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100000748629 [0,0,0,0,0,1|3,0,0]=4 534 B14R1.540 C=C(C)COC(CBr)c1ccccc1 7a_100000185958_100000748629 [0,0,0,0,0,1|3,0,0]=4 535 B14R1.540 C=C(C)COC(CC)c1ccccc1 34a_100000698172_100000748629 [0,0,0,0,0,1|3,0,0]=4 536 B14R1.540 C=C(C)COC(CC)c1ccccc1 7a_100000698172_100000748629 [0,0,0,0,0,1|3,0,0]=4 537 B14R1.540 C=C(C)COC(CN)c1ccccc1 34a_100000210709_100000748629 [0,0,0,0,0,1|2,0,0]=3 538 B14R1.540 C=C(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000748629 [0,0,0,0,0,1|3,0,0]=4 539 B14R1.540 C=C(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000748629 [0,0,0,0,0,1|3,0,0]=4 540 B14R1.540 C=C(F)CNC(CC)c1ccccc1 2230a_100000737752_100009893438 [0,0,0,0,0,1|3,0,0]=4 541 B14R1.540 C=C(F)CN[C@H](CO)c1ccccc1 2230a_100000751927_100009893438 [0,0,0,0,0,1|3,0,0]=4 542 B14R1.540 C=C(F)CN[C@H](CO)c1ccccc1 34a_100000751927_100009893438 [0,0,0,0,0,1|3,0,0]=4 543 B14R1.540 C=C(F)COC(CBr)c1ccccc1 7a_100000185958_100000042424 [0,0,0,0,0,1|3,0,0]=4 544 B14R1.540 C=C(F)COC(CC)c1ccccc1 34a_100000698172_100009893438 [0,0,0,0,0,1|3,0,0]=4 545 B14R1.540 C=C(F)COC(CC)c1ccccc1 7a_100000698172_100000042424 [0,0,0,0,0,1|3,0,0]=4 546 B14R1.540 C=C(F)COC(CN)c1ccccc1 34a_100000210709_100009893438 [0,0,0,0,0,1|2,0,0]=3 547 B14R1.540 C=C(F)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009893438 [0,0,0,0,0,1|3,0,0]=4 548 B14R1.540 C=C(F)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000042424 [0,0,0,0,0,1|3,0,0]=4 549 B14R1.540 C=CC(NCC(=O)N)c1ccccc1 2230a_100000711301_200000085779 [0,0,0,0,0,1|2,0,1]=4 550 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [0,0,0,0,0,1|1,0,1]=3 551 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 34a_100011215659_100000187820 [0,0,0,0,0,1|2,0,1]=4 552 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 7a_100011215659_100000187820 [0,0,0,0,0,1|2,0,1]=4 553 B14R1.540 C=CC(OCC(=O)[O-])c1ccccc1 34a_100011215659_100020667443 [0,0,0,0,0,1|1,0,2]=4 554 B14R1.540 C=CC(SCC(=O)N)c1ccccc1 62a_100000747473_200000085779 [0,0,0,0,0,1|2,0,1]=4 555 B14R1.540 C=CC(SCC(=O)N)c1ccccc1 62a_200000085779_100000747473 [0,0,0,0,0,1|2,0,1]=4 556 B14R1.540 C=CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_200000085779 [0,0,0,0,0,1|1,0,2]=4 557 B14R1.540 C=CC(SCC(=O)[O-])c1ccccc1 62a_200000085779_100020667443 [0,0,0,0,0,1|1,0,2]=4 558 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,0,0,0,0,1|2,0,1]=4 559 B14R1.540 CC(O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100011218427 [0,0,0,0,0,1|2,0,1]=4 560 B14R1.540 CC(O)CN[C@H](CO)c1ccccc1 34a_100000751927_100011218427 [0,0,0,0,0,1|2,0,1]=4 561 B14R1.540 CC(O)COC(CBr)c1ccccc1 7a_100000185958_100011218427 [0,0,0,0,0,1|2,0,1]=4 562 B14R1.540 CC(O)COC(CN)c1ccccc1 34a_100000210709_100011218427 [0,0,0,0,0,1|1,0,1]=3 563 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100011218427 [0,0,0,0,0,1|2,0,1]=4 564 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100011218427 [0,0,0,0,0,1|2,0,1]=4 565 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [0,0,0,0,0,1|2,0,0]=3 566 B14R1.540 CCC(NCC(=O)N)c1ccccn1 2230a_100015186561_100000747473 [0,0,0,0,0,1|3,0,0]=4 567 B14R1.540 CCC(NCC(=O)N)c1cccnc1 2230a_100000246009_100000747473 [0,0,0,0,0,1|3,0,0]=4 568 B14R1.540 CCC(NCC(C)O)c1ccccc1 2230a_100000737752_100011218427 [0,0,0,0,0,1|2,0,1]=4 569 B14R1.540 CCC(NCC(C)O)c1ccccc1 269862a_100000210904_100000210124 [0,0,0,0,0,1|2,0,1]=4 570 B14R1.540 CCC(NC[C@@H](C)O)c1ccccc1 2230a_100000737752_100009817552 [0,0,0,0,0,1|2,0,1]=4 571 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [0,0,0,0,0,1|2,0,0]=3 572 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [0,0,0,0,0,1|2,0,0]=3 573 B14R1.540 CCC(OCC(=O)[O-])c1ccccc1 34a_100000698172_100020667443 [0,0,0,0,0,1|1,0,1]=3 574 B14R1.540 CCC(OCC(C)O)c1ccccc1 34a_100000698172_100011218427 [0,0,0,0,0,1|2,0,1]=4 575 B14R1.540 CCC(OCC(C)O)c1ccccc1 7a_100000698172_100011218427 [0,0,0,0,0,1|2,0,1]=4 576 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 34a_100000698172_100009817552 [0,0,0,0,0,1|2,0,1]=4 577 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 7a_100000698172_100009817552 [0,0,0,0,0,1|2,0,1]=4 578 B14R1.540 CCC(OC[N+](=O)[O-])c1ccccc1 34a_100000698172_100000761209 [0,0,0,0,0,1|2,0,1]=4 579 B14R1.540 CCN(CCC(=O)C)c1ccccc1 269982a_100000210013_100000053229 [0,0,0,0,0,1|3,0,0]=4 580 B14R1.540 CCN(CCC(=O)N)c1ccccc1 2230a_100000210013_100000744528 [0,0,0,0,0,1|3,0,0]=4 581 B14R1.540 CCN(CCC(=O)N)c1ccccc1 269982a_100000210013_100000744528 [0,0,0,0,0,1|3,0,0]=4 582 B14R1.540 CCN(CCC(=O)N)c1ccccc1 34a_100000210013_100000731001 [0,0,0,0,0,1|3,0,0]=4 583 B14R1.540 CCN(COC(=O)C)c1ccccc1 269982a_100000210013_100000076356 [0,0,0,0,0,1|3,0,0]=4 584 B14R1.540 CCN(COC(=O)C)c1ccccc1 34a_100000210013_100009813279 [0,0,0,0,0,1|3,0,0]=4 585 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,0,0,0,0,1|2,0,0]=3 586 B14R1.540 C[C@@H](O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100009817552 [0,0,0,0,0,1|2,0,1]=4 587 B14R1.540 C[C@@H](O)CN[C@H](CO)c1ccccc1 34a_100000751927_100009817552 [0,0,0,0,0,1|2,0,1]=4 588 B14R1.540 C[C@@H](O)COC(CBr)c1ccccc1 7a_100000185958_100009817552 [0,0,0,0,0,1|2,0,1]=4 589 B14R1.540 C[C@@H](O)COC(CN)c1ccccc1 34a_100000210709_100009817552 [0,0,0,0,0,1|1,0,1]=3 590 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009817552 [0,0,0,0,0,1|2,0,1]=4 591 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100009817552 [0,0,0,0,0,1|2,0,1]=4 592 B14R1.540 N#CC(OCC(=O)N)c1ccccc1 7a_100011217353_100000187820 [0,0,0,0,0,1|1,0,2]=4 593 B14R1.540 NC(=O)CNC(CO)c1ccccn1 2230a_100015196888_100000747473 [0,0,0,0,0,1|3,0,0]=4 594 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747473 [0,0,0,0,0,1|2,0,0]=3 595 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000187820 [0,0,0,0,0,1|2,0,0]=3 596 B14R1.540 NC(=O)CN[C@H](CO)c1ccncc1 2230a_100138412524_100000747473 [0,0,0,0,0,1|3,0,0]=4 597 B14R1.540 NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000187820 [0,0,0,0,0,1|2,0,0]=3 598 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000187820 [0,0,0,0,0,1|2,0,0]=3 599 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000187820 [0,0,0,0,0,1|2,0,0]=3 600 B14R1.540 NCC(OCC(=O)N)c1ccccc1 34a_100000210709_100000187820 [0,0,0,0,0,1|1,0,0]=2 601 B14R1.540 NCC(OCC(=O)[O-])c1ccccc1 34a_100000210709_100020667443 [0,0,0,0,0,1|0,0,1]=2 602 B14R1.540 NCC(OCC(F)F)c1ccccc1 34a_100000210709_100011934356 [0,0,0,0,0,1|2,0,1]=4 603 B14R1.540 NCC(OC[N+](=O)[O-])c1ccccc1 34a_100000210709_100000761209 [0,0,0,0,0,1|1,0,1]=3 604 B14R1.540 O=C([O-])CN[C@H](CO)c1ccccc1 34a_100000751927_100020667443 [0,0,0,0,0,1|1,0,1]=3 605 B14R1.540 O=C([O-])CO[C@H](CCl)c1ccccc1 34a_100011933945_100020667443 [0,0,0,0,0,1|1,0,1]=3 606 B14R1.540 O=[N+]([O-])CN[C@H](CO)c1ccccc1 34a_100000751927_100000761209 [0,0,0,0,0,1|2,0,1]=4 607 B14R1.540 O=[N+]([O-])CO[C@H](CCl)c1ccccc1 34a_100011933945_100000761209 [0,0,0,0,0,1|2,0,1]=4 608 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,0,0,0,0,1|2,0,0]=3 609 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [0,0,0,0,0,1|3,0,0]=4 610 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [0,0,0,0,0,1|3,0,0]=4 611 B14R1.549 CCN(CC(=O)N)Cc1ccccc1 2230a_100000186914_100000747473 [0,0,0,0,0,1|3,0,0]=4 612 B14R1.549 CCN(CC(=O)N)Cc1ccccc1 269982a_100000186914_100000187820 [0,0,0,0,0,1|3,0,0]=4 613 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [0,0,0,0,0,1|2,0,0]=3 614 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [0,0,0,0,0,1|2,0,0]=3 615 B14R1.549 CCN(CC(=O)O)Cc1ccccn1 269956a_100000746405_100000721315 [0,0,0,0,0,1|3,0,0]=4 616 B14R1.549 CCN(CC(=O)O)Cc1cccnc1 269956a_100000746405_100000733263 [0,0,0,0,0,1|3,0,0]=4 617 B14R1.549 CCN(CC(=O)O)Cc1ccncc1 269956a_100000746405_100015193705 [0,0,0,0,0,1|3,0,0]=4 618 B14R1.549 CCN(CC(=O)[O-])Cc1ccccc1 269982a_100000186914_100020667443 [0,0,0,0,0,1|2,0,1]=4 619 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,0,0,0,0,1|2,0,0]=3 620 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [0,0,0,0,0,1|2,0,0]=3 621 B14R1.549 O=C([O-])CN(CO)Cc1ccccc1 269956a_100016989150_100015291786 [0,0,0,0,0,1|2,0,1]=4 622 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,0,0,0,0,1|2,0,0]=3 623 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [2,0,0,0,0,0|2,0,0]=4 624 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [2,0,0,0,0,0|2,0,0]=4 625 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [2,0,0,0,0,0|1,0,1]=4 626 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [2,0,0,0,0,0|2,0,0]=4 627 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [2,0,0,0,0,0|2,0,0]=4 628 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [2,0,0,0,0,0|1,0,1]=4 629 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [2,0,0,0,0,0|2,0,0]=4 630 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [2,0,0,0,0,0|2,0,0]=4 631 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [2,0,0,0,0,0|2,0,0]=4 632 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [2,0,0,0,0,0|2,0,0]=4 633 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [2,0,0,0,0,0|2,0,0]=4 634 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [2,0,0,0,0,0|2,0,0]=4 635 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [2,0,0,0,0,0|2,0,0]=4 636 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [2,0,0,0,0,0|2,0,0]=4 637 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [2,0,0,0,0,0|2,0,0]=4 638 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [2,0,0,0,0,0|2,0,0]=4 639 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [2,0,0,0,0,0|2,0,0]=4 640 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [2,0,0,0,0,0|2,0,0]=4 641 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [2,0,0,0,0,0|2,0,0]=4 642 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [2,0,0,0,0,0|2,0,0]=4 643 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [2,0,0,0,0,0|2,0,0]=4 644 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [2,0,0,0,0,0|1,0,0]=3 645 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [2,0,0,0,0,0|1,0,0]=3 646 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [2,0,0,0,0,0|1,0,0]=3 647 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [2,0,0,0,0,0|1,0,1]=4 648 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [2,0,0,0,0,0|1,0,1]=4 649 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [2,0,0,0,0,0|1,0,1]=4 650 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [2,0,0,0,0,0|1,0,1]=4 651 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [2,0,0,0,0,0|1,0,1]=4 652 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [2,0,0,0,0,0|1,0,1]=4 653 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [2,0,0,0,0,0|2,0,0]=4 654 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [2,0,0,0,0,0|2,0,0]=4 655 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [2,0,0,0,0,0|2,0,0]=4 656 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [2,0,0,0,0,0|2,0,0]=4 657 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [2,0,0,0,0,0|2,0,0]=4 658 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [2,0,0,0,0,0|2,0,0]=4 659 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [2,0,0,0,0,0|2,0,0]=4 660 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [2,0,0,0,0,0|2,0,0]=4 661 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [2,0,0,0,0,0|2,0,0]=4 662 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [2,0,0,0,0,0|2,0,0]=4 663 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [2,0,0,0,0,0|2,0,0]=4 664 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [2,0,0,0,0,0|2,0,0]=4 665 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [2,0,0,0,0,0|1,0,1]=4 666 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [2,0,0,0,0,0|1,0,1]=4 667 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [2,0,0,0,0,0|1,0,1]=4 668 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [2,0,0,0,0,0|2,0,0]=4 669 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [2,0,0,0,0,0|1,0,0]=3 670 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [2,0,0,0,0,0|1,0,0]=3 671 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [2,0,0,0,0,0|2,0,0]=4 672 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [2,0,0,0,0,0|2,0,0]=4 673 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [2,0,0,0,0,0|2,0,0]=4 674 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [2,0,0,0,0,0|2,0,0]=4 675 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [2,0,0,0,0,0|2,0,0]=4 676 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [2,0,0,0,0,0|2,0,0]=4 677 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [2,0,0,0,0,0|2,0,0]=4 678 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [2,0,0,0,0,0|2,0,0]=4 679 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 680 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 681 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 682 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [2,0,0,0,0,0|2,0,0]=4 683 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [2,0,0,0,0,0|2,0,0]=4 684 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [2,0,0,0,0,0|2,0,0]=4 685 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [2,0,0,0,0,0|2,0,0]=4 686 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [2,0,0,0,0,0|2,0,0]=4 687 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [2,0,0,0,0,0|2,0,0]=4 688 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [2,0,0,0,0,0|1,0,1]=4 689 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [2,0,0,0,0,0|1,0,1]=4 690 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [2,0,0,0,0,0|1,0,1]=4 691 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [2,0,0,0,0,0|1,0,1]=4 692 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [2,0,0,0,0,0|1,0,0]=3 693 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [2,0,0,0,0,0|2,0,0]=4 694 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [2,0,0,0,0,0|2,0,0]=4 695 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [2,0,0,0,0,0|2,0,0]=4 696 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [2,0,0,0,0,0|2,0,0]=4 697 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [2,0,0,0,0,0|2,0,0]=4 698 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 2230a_100000219632_200015260668 [1,1,0,0,0,0|2,0,0]=4 699 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 269982a_100000219632_200015260668 [1,1,0,0,0,0|2,0,0]=4 700 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 34a_100000219632_200009817547 [1,1,0,0,0,0|2,0,0]=4 701 B13R1.1 CCN(CC=O)c1ccc(cc1)C 2230a_100000219985_200015260668 [1,1,0,0,0,0|2,0,0]=4 702 B13R1.1 CCN(CC=O)c1ccc(cc1)C 269982a_100000219985_200015260668 [1,1,0,0,0,0|2,0,0]=4 703 B13R1.1 CCN(CC=O)c1ccc(cc1)C 34a_100000219985_200009817547 [1,1,0,0,0,0|2,0,0]=4 704 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 2230a_100000220165_200015260668 [1,1,0,0,0,0|2,0,0]=4 705 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 269982a_100000220165_200015260668 [1,1,0,0,0,0|2,0,0]=4 706 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 34a_100000220165_200009817547 [1,1,0,0,0,0|2,0,0]=4 707 B13R1.1 CCN(CC=O)c1ccc(cc1)F 2230a_100102640331_200015260668 [1,1,0,0,0,0|2,0,0]=4 708 B13R1.1 CCN(CC=O)c1ccc(cc1)F 269982a_100102640331_200015260668 [1,1,0,0,0,0|2,0,0]=4 709 B13R1.1 CCN(CC=O)c1ccc(cc1)F 34a_100102640331_200009817547 [1,1,0,0,0,0|2,0,0]=4 710 B13R1.1 CCN(CC=O)c1ccc(cc1)O 2230a_100011337800_200015260668 [1,1,0,0,0,0|2,0,0]=4 711 B13R1.1 CCN(CC=O)c1ccc(cc1)O 269982a_100011337800_200015260668 [1,1,0,0,0,0|2,0,0]=4 712 B13R1.1 CCN(CC=O)c1ccc(cc1)O 34a_100011337800_200009817547 [1,1,0,0,0,0|2,0,0]=4 713 B13R1.2 CCN(CC=O)c1cccc(c1)Br 2230a_100000738899_200015260668 [1,1,0,0,0,0|2,0,0]=4 714 B13R1.2 CCN(CC=O)c1cccc(c1)Br 269982a_100000738899_200015260668 [1,1,0,0,0,0|2,0,0]=4 715 B13R1.2 CCN(CC=O)c1cccc(c1)Br 34a_100000738899_200009817547 [1,1,0,0,0,0|2,0,0]=4 716 B13R1.2 CCN(CC=O)c1cccc(c1)C 2230a_100000182157_200015260668 [1,1,0,0,0,0|2,0,0]=4 717 B13R1.2 CCN(CC=O)c1cccc(c1)C 269982a_100000182157_200015260668 [1,1,0,0,0,0|2,0,0]=4 718 B13R1.2 CCN(CC=O)c1cccc(c1)C 34a_100000182157_200009817547 [1,1,0,0,0,0|2,0,0]=4 719 B13R1.2 CCN(CC=O)c1cccc(c1)C 7a_100000182157_200015260668 [1,1,0,0,0,0|2,0,0]=4 720 B13R1.2 CCN(CC=O)c1cccc(c1)O 2230a_100000717746_200015260668 [1,1,0,0,0,0|2,0,0]=4 721 B13R1.2 CCN(CC=O)c1cccc(c1)O 269982a_100000717746_200015260668 [1,1,0,0,0,0|2,0,0]=4 722 B13R1.2 CCN(CC=O)c1cccc(c1)O 34a_100000717746_200009817547 [1,1,0,0,0,0|2,0,0]=4 723 B13R1.26 C#CC(OCC=O)c1ccccc1 34a_100011219616_200009817547 [1,1,0,0,0,0|1,0,1]=4 724 B13R1.26 C#CC(OCC=O)c1ccccc1 7a_100011219616_200015260668 [1,1,0,0,0,0|1,0,1]=4 725 B13R1.26 C#CCOC(CN)c1ccccc1 34a_100000210709_100000184674 [1,1,0,0,0,0|1,0,1]=4 726 B13R1.26 C=CC(OCC=O)c1ccccc1 34a_100011215659_200009817547 [1,1,0,0,0,0|1,0,1]=4 727 B13R1.26 C=CC(OCC=O)c1ccccc1 7a_100011215659_200015260668 [1,1,0,0,0,0|1,0,1]=4 728 B13R1.26 C=CC(SCC=O)c1ccccc1 62a_200000085779_200015260668 [1,1,0,0,0,0|1,0,1]=4 729 B13R1.26 C=CC(SCC=O)c1ccccc1 62a_200015260668_200000085779 [1,1,0,0,0,0|1,0,1]=4 730 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [1,1,0,0,0,0|2,0,0]=4 731 B13R1.26 C=CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210623 [1,1,0,0,0,0|2,0,0]=4 732 B13R1.26 C=CCN[C@H](CO)c1ccccc1 34a_100000751927_100015514636 [1,1,0,0,0,0|2,0,0]=4 733 B13R1.26 C=CCOC(CBr)c1ccccc1 7a_100000185958_100015514636 [1,1,0,0,0,0|2,0,0]=4 734 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [1,1,0,0,0,0|2,0,0]=4 735 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [1,1,0,0,0,0|2,0,0]=4 736 B13R1.26 C=CCOC(CN)c1ccccc1 34a_100000210709_100015514636 [1,1,0,0,0,0|1,0,0]=3 737 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 34a_100011933945_100015514636 [1,1,0,0,0,0|2,0,0]=4 738 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 7a_100011933945_100015514636 [1,1,0,0,0,0|2,0,0]=4 739 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [1,1,0,0,0,0|1,0,0]=3 740 B13R1.26 CCC(NCC=O)c1ccccn1 2230a_100015186561_200015260668 [1,1,0,0,0,0|2,0,0]=4 741 B13R1.26 CCC(NCC=O)c1cccnc1 2230a_100000246009_200015260668 [1,1,0,0,0,0|2,0,0]=4 742 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [1,1,0,0,0,0|1,0,1]=4 743 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [1,1,0,0,0,0|1,0,1]=4 744 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [1,1,0,0,0,0|1,0,0]=3 745 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [1,1,0,0,0,0|1,0,0]=3 746 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [1,1,0,0,0,0|1,0,1]=4 747 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [1,1,0,0,0,0|1,0,1]=4 748 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [1,1,0,0,0,0|1,0,1]=4 749 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [1,1,0,0,0,0|2,0,0]=4 750 B13R1.26 N#CC(OCC=O)c1ccccc1 7a_100011217353_200015260668 [1,1,0,0,0,0|0,0,2]=4 751 B13R1.26 NCC(OCC=O)c1ccccc1 34a_100000210709_200009817547 [1,1,0,0,0,0|0,0,0]=2 752 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [1,1,0,0,0,0|1,0,1]=4 753 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [1,1,0,0,0,0|0,0,1]=3 754 B13R1.26 O=CCNC(CO)c1ccccn1 2230a_100015196888_200015260668 [1,1,0,0,0,0|2,0,0]=4 755 B13R1.26 O=CCN[C@H](CO)c1ccccc1 2230a_100000751927_200015260668 [1,1,0,0,0,0|1,0,0]=3 756 B13R1.26 O=CCN[C@H](CO)c1ccccc1 34a_100000751927_200009817547 [1,1,0,0,0,0|1,0,0]=3 757 B13R1.26 O=CCN[C@H](CO)c1ccncc1 2230a_100138412524_200015260668 [1,1,0,0,0,0|2,0,0]=4 758 B13R1.26 O=CCOC(CBr)c1ccccc1 7a_100000185958_200015260668 [1,1,0,0,0,0|1,0,0]=3 759 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 34a_100011933945_200009817547 [1,1,0,0,0,0|1,0,0]=3 760 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 7a_100011933945_200015260668 [1,1,0,0,0,0|1,0,0]=3 761 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [1,1,0,0,0,0|1,0,1]=4 762 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [1,1,0,0,0,0|1,0,1]=4 763 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [1,1,0,0,0,0|1,0,1]=4 764 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [1,1,0,0,0,0|1,0,1]=4 765 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [1,1,0,0,0,0|1,0,1]=4 766 B13R1.173 CCN(CC=O)c1ccccc1Br 2230a_114873767003_200015260668 [1,1,0,0,0,0|2,0,0]=4 767 B13R1.173 CCN(CC=O)c1ccccc1Br 269982a_114873767003_200015260668 [1,1,0,0,0,0|2,0,0]=4 768 B13R1.173 CCN(CC=O)c1ccccc1Br 34a_114873767003_200009817547 [1,1,0,0,0,0|2,0,0]=4 769 B13R1.173 CCN(CC=O)c1ccccc1C 2230a_100000211084_200015260668 [1,1,0,0,0,0|2,0,0]=4 770 B13R1.173 CCN(CC=O)c1ccccc1C 269982a_100000211084_200015260668 [1,1,0,0,0,0|2,0,0]=4 771 B13R1.173 CCN(CC=O)c1ccccc1C 34a_100000211084_200009817547 [1,1,0,0,0,0|2,0,0]=4 772 B13R1.173 CCN(CC=O)c1ccccc1F 2230a_100000220365_200015260668 [1,1,0,0,0,0|2,0,0]=4 773 B13R1.173 CCN(CC=O)c1ccccc1F 269982a_100000220365_200015260668 [1,1,0,0,0,0|2,0,0]=4 774 B13R1.173 CCN(CC=O)c1ccccc1F 34a_100000220365_200009817547 [1,1,0,0,0,0|2,0,0]=4 775 B13R1.173 CCN(CC=O)c1ccccc1O 269982a_103624766699_200015260668 [1,1,0,0,0,0|2,0,0]=4 776 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [1,1,0,0,0,0|2,0,0]=4 777 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [1,1,0,0,0,0|2,0,0]=4 778 B13R1.398 C=CCC(OCF)c1ccccc1 34a_100000687291_100015361967 [1,1,0,0,0,0|2,0,0]=4 779 B13R1.398 C=CCC(OCF)c1ccccc1 7a_100000687291_100015361967 [1,1,0,0,0,0|2,0,0]=4 780 B13R1.398 C=CCN(CC=O)c1ccccc1 2230a_100000211662_200015260668 [1,1,0,0,0,0|2,0,0]=4 781 B13R1.398 C=CCN(CC=O)c1ccccc1 269982a_100000211662_200015260668 [1,1,0,0,0,0|2,0,0]=4 782 B13R1.398 C=CCN(CC=O)c1ccccc1 34a_100000211662_200009817547 [1,1,0,0,0,0|2,0,0]=4 783 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [1,1,0,0,0,0|2,0,0]=4 784 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [1,1,0,0,0,0|2,0,0]=4 785 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [1,1,0,0,0,0|2,0,0]=4 786 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [1,1,0,0,0,0|1,0,1]=4 787 B13R1.398 O=CCN(CCO)c1ccccc1 2230a_100000211345_200015260668 [1,1,0,0,0,0|2,0,0]=4 788 B13R1.398 O=CCN(CCO)c1ccccc1 269982a_100000211345_200015260668 [1,1,0,0,0,0|2,0,0]=4 789 B13R1.398 O=CCN(CCO)c1ccccc1 34a_100000211345_200009817547 [1,1,0,0,0,0|2,0,0]=4 790 B13R1.405 CC(C)N(CC=O)c1ccccc1 2230a_100000210572_200015260668 [1,1,0,0,0,0|2,0,0]=4 791 B13R1.405 CC(C)N(CC=O)c1ccccc1 269982a_100000210572_200015260668 [1,1,0,0,0,0|2,0,0]=4 792 B13R1.405 CC(C)N(CC=O)c1ccccc1 34a_100000210572_200009817547 [1,1,0,0,0,0|2,0,0]=4 793 B13R1.405 CC(C)N(CC=O)c1ccccc1 7a_100000210572_200015260668 [1,1,0,0,0,0|2,0,0]=4 794 B13R1.11 C#CC(=O)CC(C)c1ccccc1 1458a_100000211873_100000756946 [1,1,0,0,0,0|1,0,0]=3 795 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [1,1,0,0,0,0|2,0,0]=4 796 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [1,1,0,0,0,0|2,0,0]=4 797 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [1,1,0,0,0,0|1,0,0]=3 798 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [1,1,0,0,0,0|2,0,0]=4 799 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [1,1,0,0,0,0|2,0,0]=4 800 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000185746 [1,1,0,0,0,0|2,0,0]=4 801 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_200121576911 [1,1,0,0,0,0|2,0,0]=4 802 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [1,1,0,0,0,0|1,0,0]=3 803 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [1,1,0,0,0,0|0,0,0]=2 804 B13R1.11 CC(NC(=O)CO)c1ccccn1 240690a_100000181244_100000210174 [1,1,0,0,0,0|2,0,0]=4 805 B13R1.11 CC(NC(=O)CO)c1ccccn1 527a_100000181244_100000210174 [1,1,0,0,0,0|2,0,0]=4 806 B13R1.11 CC(NC(=O)CO)c1cccnc1 240690a_100000195435_100000210174 [1,1,0,0,0,0|2,0,0]=4 807 B13R1.11 CC(NC(=O)CO)c1cccnc1 527a_100000195435_100000210174 [1,1,0,0,0,0|2,0,0]=4 808 B13R1.11 CC(NC(=O)CO)c1ccncc1 240690a_100000181269_100000210174 [1,1,0,0,0,0|2,0,0]=4 809 B13R1.11 CC(NC(=O)CO)c1ccncc1 527a_100000181269_100000210174 [1,1,0,0,0,0|2,0,0]=4 810 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [1,1,0,0,0,0|1,0,0]=3 811 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [1,1,0,0,0,0|1,0,0]=3 812 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [1,1,0,0,0,0|2,0,0]=4 813 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [1,1,0,0,0,0|2,0,0]=4 814 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [1,1,0,0,0,0|2,0,0]=4 815 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [1,1,0,0,0,0|2,0,0]=4 816 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [1,1,0,0,0,0|2,0,0]=4 817 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [1,1,0,0,0,0|2,0,0]=4 818 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [1,1,0,0,0,0|2,0,0]=4 819 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [1,1,0,0,0,0|2,0,0]=4 820 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.11 CN(CC(=O)CF)c1ccccc1 1458a_100000745425_100015361967 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [1,1,0,0,0,0|1,0,0]=3 823 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [1,1,0,0,0,0|1,0,0]=3 824 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [1,1,0,0,0,0|1,0,0]=3 825 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [1,1,0,0,0,0|1,0,0]=3 826 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [1,1,0,0,0,0|2,0,0]=4 827 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [1,1,0,0,0,0|2,0,0]=4 828 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [1,1,0,0,0,0|2,0,0]=4 833 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [1,1,0,0,0,0|2,0,0]=4 836 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [1,1,0,0,0,0|2,0,0]=4 837 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [1,1,0,0,0,0|2,0,0]=4 838 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [1,1,0,0,0,0|1,0,1]=4 839 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [1,1,0,0,0,0|1,0,0]=3 840 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [1,1,0,0,0,0|1,0,0]=3 841 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [1,1,0,0,0,0|1,0,0]=3 842 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [1,1,0,0,0,0|1,0,0]=3 843 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [1,1,0,0,0,0|1,0,0]=3 844 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [1,1,0,0,0,0|1,0,0]=3 845 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [1,1,0,0,0,0|1,0,0]=3 846 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [1,1,0,0,0,0|1,0,0]=3 847 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [1,1,0,0,0,0|1,0,0]=3 848 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [1,1,0,0,0,0|1,0,1]=4 850 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [1,1,0,0,0,0|1,0,0]=3 851 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [1,1,0,0,0,0|1,0,0]=3 852 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [1,1,0,0,0,0|1,0,0]=3 853 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [1,1,0,0,0,0|2,0,0]=4 854 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [1,1,0,0,0,0|2,0,0]=4 855 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [1,1,0,0,0,0|2,0,0]=4 856 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [1,1,0,0,0,0|2,0,0]=4 857 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [1,1,0,0,0,0|2,0,0]=4 858 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [1,1,0,0,0,0|2,0,0]=4 860 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [1,1,0,0,0,0|2,0,0]=4 861 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [1,1,0,0,0,0|2,0,0]=4 862 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [1,1,0,0,0,0|2,0,0]=4 863 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [1,1,0,0,0,0|2,0,0]=4 864 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [1,1,0,0,0,0|2,0,0]=4 865 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [1,1,0,0,0,0|2,0,0]=4 866 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [1,1,0,0,0,0|2,0,0]=4 867 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [1,1,0,0,0,0|2,0,0]=4 869 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [1,1,0,0,0,0|2,0,0]=4 870 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [1,1,0,0,0,0|2,0,0]=4 871 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [1,1,0,0,0,0|2,0,0]=4 872 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [1,1,0,0,0,0|2,0,0]=4 874 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [1,1,0,0,0,0|2,0,0]=4 876 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [1,1,0,0,0,0|2,0,0]=4 877 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [1,1,0,0,0,0|2,0,0]=4 878 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [1,1,0,0,0,0|2,0,0]=4 882 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [1,1,0,0,0,0|2,0,0]=4 884 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [1,1,0,0,0,0|2,0,0]=4 885 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [1,1,0,0,0,0|2,0,0]=4 886 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [1,1,0,0,0,0|2,0,0]=4 887 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [1,1,0,0,0,0|2,0,0]=4 888 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [1,1,0,0,0,0|2,0,0]=4 889 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [1,1,0,0,0,0|2,0,0]=4 890 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [1,1,0,0,0,0|2,0,0]=4 891 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [1,1,0,0,0,0|1,0,0]=3 892 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [1,1,0,0,0,0|1,0,0]=3 893 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [1,1,0,0,0,0|1,0,0]=3 894 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [1,1,0,0,0,0|1,0,0]=3 895 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100020667443 [1,1,0,0,0,0|1,0,1]=4 896 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219623_100020667443 [1,1,0,0,0,0|1,0,1]=4 897 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100020667443 [1,1,0,0,0,0|1,0,1]=4 898 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100020667443 [1,1,0,0,0,0|1,0,1]=4 899 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 269982a_100000219829_100020667443 [1,1,0,0,0,0|1,0,1]=4 900 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 34a_100000219829_100020667443 [1,1,0,0,0,0|1,0,1]=4 901 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [1,1,0,0,0,0|1,0,1]=4 902 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [1,1,0,0,0,0|1,0,1]=4 903 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [1,1,0,0,0,0|1,0,1]=4 904 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [1,1,0,0,0,0|1,0,1]=4 905 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [1,1,0,0,0,0|1,0,0]=3 906 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [1,1,0,0,0,0|2,0,0]=4 907 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [1,1,0,0,0,0|2,0,0]=4 908 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [1,1,0,0,0,0|2,0,0]=4 909 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [1,1,0,0,0,0|1,0,1]=4 910 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [1,1,0,0,0,0|1,0,1]=4 911 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [1,1,0,0,0,0|1,0,0]=3 912 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [1,1,0,0,0,0|1,0,0]=3 913 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [1,1,0,0,0,0|1,0,0]=3 914 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [1,1,0,0,0,0|1,0,0]=3 915 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [1,1,0,0,0,0|2,0,0]=4 916 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 11a_100020642005_100015343762 [1,1,0,0,0,0|2,0,0]=4 917 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100015343762 [1,1,0,0,0,0|2,0,0]=4 918 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_100015343762 [1,1,0,0,0,0|2,0,0]=4 919 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 527a_100020642005_100103153847 [1,1,0,0,0,0|2,0,0]=4 920 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 11a_100102723534_100015343762 [1,1,0,0,0,0|2,0,0]=4 921 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100015343762 [1,1,0,0,0,0|2,0,0]=4 922 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_100015343762 [1,1,0,0,0,0|2,0,0]=4 923 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 527a_100102723534_100103153847 [1,1,0,0,0,0|2,0,0]=4 924 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [1,1,0,0,0,0|2,0,0]=4 925 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [1,1,0,0,0,0|2,0,0]=4 926 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100015343762 [1,1,0,0,0,0|2,0,0]=4 927 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100015343762 [1,1,0,0,0,0|2,0,0]=4 928 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100015343762 [1,1,0,0,0,0|2,0,0]=4 929 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100103153847 [1,1,0,0,0,0|2,0,0]=4 930 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 11a_100015193778_100015343762 [1,1,0,0,0,0|2,0,0]=4 931 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100015343762 [1,1,0,0,0,0|2,0,0]=4 932 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_100015343762 [1,1,0,0,0,0|2,0,0]=4 933 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 527a_100015193778_100103153847 [1,1,0,0,0,0|2,0,0]=4 934 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000747473 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000187820 [1,1,0,0,0,0|2,0,0]=4 936 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 34a_100000219648_100000187820 [1,1,0,0,0,0|2,0,0]=4 937 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000747473 [1,1,0,0,0,0|2,0,0]=4 938 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000187820 [1,1,0,0,0,0|2,0,0]=4 939 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000187820 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 2230a_100020633736_100000747473 [1,1,0,0,0,0|2,0,0]=4 941 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 269982a_100020633736_100000187820 [1,1,0,0,0,0|2,0,0]=4 942 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 34a_100020633736_100000187820 [1,1,0,0,0,0|2,0,0]=4 943 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 2230a_100000221217_100000747473 [1,1,0,0,0,0|2,0,0]=4 944 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 269982a_100000221217_100000187820 [1,1,0,0,0,0|2,0,0]=4 945 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 34a_100000221217_100000187820 [1,1,0,0,0,0|2,0,0]=4 946 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [1,1,0,0,0,0|2,0,0]=4 947 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [1,1,0,0,0,0|2,0,0]=4 948 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [1,1,0,0,0,0|2,0,0]=4 949 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [1,1,0,0,0,0|1,0,0]=3 950 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [1,1,0,0,0,0|1,0,0]=3 951 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Br 269982a_100000219648_100020667443 [1,1,0,0,0,0|1,0,1]=4 952 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Br 34a_100000219648_100020667443 [1,1,0,0,0,0|1,0,1]=4 953 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Cl 269982a_100000220044_100020667443 [1,1,0,0,0,0|1,0,1]=4 954 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Cl 34a_100000220044_100020667443 [1,1,0,0,0,0|1,0,1]=4 955 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 269982a_100020633736_100020667443 [1,1,0,0,0,0|1,0,1]=4 956 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 34a_100020633736_100020667443 [1,1,0,0,0,0|1,0,1]=4 957 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)I 269982a_100000221217_100020667443 [1,1,0,0,0,0|1,0,1]=4 958 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)I 34a_100000221217_100020667443 [1,1,0,0,0,0|1,0,1]=4 959 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 269982a_100000756613_100020667443 [1,1,0,0,0,0|1,0,1]=4 960 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 34a_100000756613_100020667443 [1,1,0,0,0,0|1,0,1]=4 961 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [1,1,0,0,0,0|2,0,0]=4 962 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [1,1,0,0,0,0|2,0,0]=4 963 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [1,1,0,0,0,0|2,0,0]=4 964 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 269982a_100000219674_100020667443 [1,1,0,0,0,0|1,0,1]=4 965 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 34a_100000219674_100020667443 [1,1,0,0,0,0|1,0,1]=4 966 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [1,1,0,0,0,0|2,0,0]=4 967 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [1,1,0,0,0,0|1,0,0]=3 968 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [1,1,0,0,0,0|1,0,0]=3 969 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [1,1,0,0,0,0|2,0,0]=4 970 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [1,1,0,0,0,0|2,0,0]=4 972 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [1,1,0,0,0,0|2,0,0]=4 976 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [1,1,0,0,0,0|2,0,0]=4 977 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [1,1,0,0,0,0|2,0,0]=4 978 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [1,1,0,0,0,0|1,0,0]=3 979 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [1,1,0,0,0,0|1,0,0]=3 980 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 2230a_100000210012_100009813875 [1,1,0,0,0,0|2,0,0]=4 981 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 269982a_100000210012_100009813875 [1,1,0,0,0,0|2,0,0]=4 982 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 34a_100000210012_100009813875 [1,1,0,0,0,0|2,0,0]=4 983 B13R1.152 CN(c1ccccc1)C(F)C(=O)[O-] 34a_100000210012_100020610796 [1,1,0,0,0,0|1,0,1]=4 984 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [1,1,0,0,0,0|1,0,0]=3 985 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [1,1,0,0,0,0|1,0,0]=3 986 B13R1.201 CC(=O)NC(C)c1ccccc1Br 11a_100000181357_100015343762 [1,1,0,0,0,0|2,0,0]=4 987 B13R1.201 CC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100015343762 [1,1,0,0,0,0|2,0,0]=4 988 B13R1.201 CC(=O)NC(C)c1ccccc1Br 240690a_100000181357_100015343762 [1,1,0,0,0,0|2,0,0]=4 989 B13R1.201 CC(=O)NC(C)c1ccccc1Br 527a_100000181357_100103153847 [1,1,0,0,0,0|2,0,0]=4 990 B13R1.201 CC(=O)NC(C)c1ccccc1C 11a_100000181355_100015343762 [1,1,0,0,0,0|2,0,0]=4 991 B13R1.201 CC(=O)NC(C)c1ccccc1C 1626a_100000181355_100015343762 [1,1,0,0,0,0|2,0,0]=4 992 B13R1.201 CC(=O)NC(C)c1ccccc1C 240690a_100000181355_100015343762 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.201 CC(=O)NC(C)c1ccccc1C 527a_100000181355_100103153847 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100015343762 [1,1,0,0,0,0|2,0,0]=4 995 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100015343762 [1,1,0,0,0,0|2,0,0]=4 996 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100015343762 [1,1,0,0,0,0|2,0,0]=4 997 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100103153847 [1,1,0,0,0,0|2,0,0]=4 998 B13R1.201 CC(=O)NC(C)c1ccccc1F 11a_100000181408_100015343762 [1,1,0,0,0,0|2,0,0]=4 999 B13R1.201 CC(=O)NC(C)c1ccccc1F 1626a_100000181408_100015343762 [1,1,0,0,0,0|2,0,0]=4 1000 B13R1.201 CC(=O)NC(C)c1ccccc1F 240690a_100000181408_100015343762 [1,1,0,0,0,0|2,0,0]=4 1001 B13R1.201 CC(=O)NC(C)c1ccccc1F 527a_100000181408_100103153847 [1,1,0,0,0,0|2,0,0]=4 1002 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100015343762 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100103153847 [1,1,0,0,0,0|2,0,0]=4 1004 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [1,1,0,0,0,0|1,0,0]=3 1005 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [1,1,0,0,0,0|1,0,0]=3 1006 B13R1.201 CN(CC(=O)N)c1ccccc1Br 2230a_100020606079_100000747473 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.201 CN(CC(=O)N)c1ccccc1Br 269982a_100020606079_100000187820 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.201 CN(CC(=O)N)c1ccccc1Br 34a_100020606079_100000187820 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 2230a_100000219374_100000747473 [1,1,0,0,0,0|2,0,0]=4 1010 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 269982a_100000219374_100000187820 [1,1,0,0,0,0|2,0,0]=4 1011 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 34a_100000219374_100000187820 [1,1,0,0,0,0|2,0,0]=4 1012 B13R1.201 CN(CC(=O)N)c1ccccc1F 2230a_100000220357_100000747473 [1,1,0,0,0,0|2,0,0]=4 1013 B13R1.201 CN(CC(=O)N)c1ccccc1F 269982a_100000220357_100000187820 [1,1,0,0,0,0|2,0,0]=4 1014 B13R1.201 CN(CC(=O)N)c1ccccc1F 34a_100000220357_100000187820 [1,1,0,0,0,0|2,0,0]=4 1015 B13R1.201 CN(CC(=O)N)c1ccccc1F 38a_100000220357_100000747473 [1,1,0,0,0,0|2,0,0]=4 1016 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [1,1,0,0,0,0|2,0,0]=4 1017 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [1,1,0,0,0,0|1,0,0]=3 1018 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [1,1,0,0,0,0|1,0,0]=3 1019 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 269982a_100020606079_100020667443 [1,1,0,0,0,0|1,0,1]=4 1020 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 34a_100020606079_100020667443 [1,1,0,0,0,0|1,0,1]=4 1021 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 269982a_100000219374_100020667443 [1,1,0,0,0,0|1,0,1]=4 1022 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 34a_100000219374_100020667443 [1,1,0,0,0,0|1,0,1]=4 1023 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 269982a_100000220357_100020667443 [1,1,0,0,0,0|1,0,1]=4 1024 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 34a_100000220357_100020667443 [1,1,0,0,0,0|1,0,1]=4 1025 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 38a_100000220357_100020667443 [1,1,0,0,0,0|1,0,1]=4 1026 B13R1.201 CN(CC(=O)[O-])c1ccccc1O 269982a_100000033821_100020667443 [1,1,0,0,0,0|1,0,1]=4 1027 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [1,1,0,0,0,0|2,0,0]=4 1028 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [1,1,0,0,0,0|2,0,0]=4 1029 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [1,1,0,0,0,0|2,0,0]=4 1030 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [1,1,0,0,0,0|1,0,0]=3 1031 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 269982a_100000219699_100020667443 [1,1,0,0,0,0|1,0,1]=4 1032 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 34a_100000219699_100020667443 [1,1,0,0,0,0|1,0,1]=4 1033 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [1,1,0,0,0,0|1,0,0]=3 1034 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [1,1,0,0,0,0|1,0,0]=3 1035 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [1,1,0,0,0,0|1,0,0]=3 1036 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [1,1,0,0,0,0|1,0,0]=3 1037 B13R1.347 CC(=O)C[Si](C)(C)c1ccccc1 1458a_100000070787_100000038972 [1,1,0,0,0,0|1,1,0]=4 1038 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100015343762 [1,1,0,0,0,0|2,0,0]=4 1039 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100015343762 [1,1,0,0,0,0|2,0,0]=4 1040 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100015343762 [1,1,0,0,0,0|2,0,0]=4 1041 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100103153847 [1,1,0,0,0,0|2,0,0]=4 1042 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [1,1,0,0,0,0|1,0,0]=3 1043 B13R1.403 CCNC(CC(=O)O)c1cccs1 269956a_100000238659_100000210202 [0,1,0,0,1,0|2,0,0]=4 1044 B13R1.403 CCNC(CC(=O)O)c1ccsc1 269956a_100000736382_100000210202 [0,1,0,0,1,0|2,0,0]=4 1045 B13R1.403 O=C(O)CC(NCF)c1cccs1 269956a_100000238659_100015361967 [0,1,0,0,1,0|2,0,0]=4 1046 B13R1.403 O=C(O)CC(NCF)c1ccsc1 269956a_100000736382_100015361967 [0,1,0,0,1,0|2,0,0]=4 1047 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,1,0,0,1,0|2,0,0]=4 1048 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,1,0,0,1,0|2,0,0]=4 1049 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,1,0,0,1,0|2,0,0]=4 1050 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,1,0,0,1,0|2,0,0]=4 1051 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,1,0,0,1,0|2,0,0]=4 1052 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,1,0,0,1,0|2,0,0]=4 1053 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,1,0,0,1,0|2,0,0]=4 1054 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,1,0,0,1,0|2,0,0]=4 1055 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,1,0,0,1,0|2,0,0]=4 1056 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,1,0,0,1,0|2,0,0]=4 1057 B13R1.716 CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200000210301 [0,1,0,0,1,0|2,0,0]=4 1058 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [0,1,0,0,1,0|2,0,0]=4 1059 B13R1.716 CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200000210301 [0,1,0,0,1,0|2,0,0]=4 1060 B13R1.716 CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200000210301 [0,1,0,0,1,0|2,0,0]=4 1061 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [0,1,0,0,1,0|2,0,0]=4 1062 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200025704644 [0,1,0,0,1,0|2,0,0]=4 1063 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200025704644 [0,1,0,0,1,0|2,0,0]=4 1064 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200025704644 [0,1,0,0,1,0|2,0,0]=4 1065 B13R1.720 CCC(C(=O)C)c1ccccc1Cl 1458a_100011667493_200000210301 [0,1,0,0,1,0|2,0,0]=4 1066 B13R1.720 CCC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667493_200025704644 [0,1,0,0,1,0|2,0,0]=4 1067 B13R1.720 CNC(C(=O)O)c1ccccc1Br 269956a_100000744630_200000210301 [0,1,0,0,1,0|2,0,0]=4 1068 B13R1.720 CNC(C(=O)O)c1ccccc1C 269956a_100011223803_200000210301 [0,1,0,0,1,0|2,0,0]=4 1069 B13R1.720 CNC(C(=O)O)c1ccccc1F 269956a_100138411467_200000210301 [0,1,0,0,1,0|2,0,0]=4 1070 B13R1.720 CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200000210301 [0,1,0,0,1,0|2,0,0]=4 1071 B13R1.720 Cc1ccccc1C(N[13CH3])C(=O)O 269956a_100011223803_200025704644 [0,1,0,0,1,0|2,0,0]=4 1072 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1Br 269956a_100000744630_200025704644 [0,1,0,0,1,0|2,0,0]=4 1073 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1F 269956a_100138411467_200025704644 [0,1,0,0,1,0|2,0,0]=4 1074 B13R1.720 [13CH3]N[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200025704644 [0,1,0,0,1,0|2,0,0]=4 1075 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,1,0,0,1,0|1,0,1]=4 1076 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,1,0,0,1,0|2,0,0]=4 1077 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,1,0,0,1,0|2,0,0]=4 1078 B13R1.3085 CCC(O)(C(=O)C)c1ccccc1 1458a_100011434905_200000210301 [0,1,0,0,1,0|2,0,0]=4 1079 B13R1.3085 CCC(O)(C(=O)[13CH3])c1ccccc1 1458a_100011434905_200025704644 [0,1,0,0,1,0|2,0,0]=4 1080 B15R1.523 C=CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_200000085779 [0,1,0,0,0,1|1,0,1]=4 1081 B15R1.523 CC(=O)C(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100009814033 [0,1,0,0,0,1|2,0,0]=4 1082 B15R1.523 CC(=O)C(C)OC(CBr)c1ccccc1 7a_100000185958_100000179758 [0,1,0,0,0,1|2,0,0]=4 1083 B15R1.523 CC(=O)C(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000179758 [0,1,0,0,0,1|2,0,0]=4 1084 B15R1.523 CC(N[C@H](CO)c1ccccc1)C(=O)N 2230a_100000751927_100000702099 [0,1,0,0,0,1|2,0,0]=4 1085 B15R1.523 CC(N[C@H](CO)c1ccccc1)C(=O)N 34a_100000751927_100000702099 [0,1,0,0,0,1|2,0,0]=4 1086 B15R1.523 CC(OC(CBr)c1ccccc1)C(=O)N 7a_100000185958_100000702099 [0,1,0,0,0,1|2,0,0]=4 1087 B15R1.523 CC(OC(CN)c1ccccc1)C(=O)N 34a_100000210709_100000702099 [0,1,0,0,0,1|1,0,0]=3 1088 B15R1.523 CC(O[C@H](CCl)c1ccccc1)C(=O)N 34a_100011933945_100000702099 [0,1,0,0,0,1|2,0,0]=4 1089 B15R1.523 CC(O[C@H](CCl)c1ccccc1)C(=O)N 7a_100011933945_100000702099 [0,1,0,0,0,1|2,0,0]=4 1090 B15R1.523 CCC(NC(C)C(=O)C)c1ccccc1 2230a_100000737752_100009814033 [0,1,0,0,0,1|2,0,0]=4 1091 B15R1.523 CCC(NC(C)C(=O)N)c1ccccc1 2230a_100000737752_100000702099 [0,1,0,0,0,1|2,0,0]=4 1092 B15R1.523 CCC(NC(F)C(=O)N)c1ccccc1 2230a_100000737752_100009813875 [0,1,0,0,0,1|2,0,0]=4 1093 B15R1.523 CCC(OC(C)C(=O)C)c1ccccc1 7a_100000698172_100000179758 [0,1,0,0,0,1|2,0,0]=4 1094 B15R1.523 CCC(OC(C)C(=O)N)c1ccccc1 34a_100000698172_100000702099 [0,1,0,0,0,1|2,0,0]=4 1095 B15R1.523 CCC(OC(C)C(=O)N)c1ccccc1 7a_100000698172_100000702099 [0,1,0,0,0,1|2,0,0]=4 1096 B15R1.523 CCC(OC(F)C(=O)N)c1ccccc1 34a_100000698172_100009813875 [0,1,0,0,0,1|2,0,0]=4 1097 B15R1.523 CCC(OC(F)C(=O)N)c1ccccc1 7a_100000698172_100009813875 [0,1,0,0,0,1|2,0,0]=4 1098 B15R1.523 CCC(OC(F)C(=O)[O-])c1ccccc1 34a_100000698172_100020610796 [0,1,0,0,0,1|1,0,1]=4 1099 B15R1.523 NC(=O)C(F)N[C@H](CO)c1ccccc1 2230a_100000751927_100009813875 [0,1,0,0,0,1|2,0,0]=4 1100 B15R1.523 NC(=O)C(F)N[C@H](CO)c1ccccc1 34a_100000751927_100009813875 [0,1,0,0,0,1|2,0,0]=4 1101 B15R1.523 NC(=O)C(F)OC(CBr)c1ccccc1 7a_100000185958_100009813875 [0,1,0,0,0,1|2,0,0]=4 1102 B15R1.523 NC(=O)C(F)O[C@H](CCl)c1ccccc1 34a_100011933945_100009813875 [0,1,0,0,0,1|2,0,0]=4 1103 B15R1.523 NC(=O)C(F)O[C@H](CCl)c1ccccc1 7a_100011933945_100009813875 [0,1,0,0,0,1|2,0,0]=4 1104 B15R1.523 NCC(OC(F)C(=O)N)c1ccccc1 34a_100000210709_100009813875 [0,1,0,0,0,1|1,0,0]=3 1105 B15R1.523 NCC(OC(F)C(=O)[O-])c1ccccc1 34a_100000210709_100020610796 [0,1,0,0,0,1|0,0,1]=3 1106 B15R1.523 O=C([O-])C(F)N[C@H](CO)c1ccccc1 34a_100000751927_100020610796 [0,1,0,0,0,1|1,0,1]=4 1107 B15R1.523 O=C([O-])C(F)O[C@H](CCl)c1ccccc1 34a_100011933945_100020610796 [0,1,0,0,0,1|1,0,1]=4 1108 B15R1.659 C=C(C)COC(CN)c1ccc(cc1)Br 34a_100020626992_100000748629 [0,1,0,0,0,1|2,0,0]=4 1109 B15R1.659 C=C(C)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000748629 [0,1,0,0,0,1|2,0,0]=4 1110 B15R1.659 C=C(F)COC(CN)c1ccc(cc1)Br 34a_100020626992_100009893438 [0,1,0,0,0,1|2,0,0]=4 1111 B15R1.659 C=C(F)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100009893438 [0,1,0,0,0,1|2,0,0]=4 1112 B15R1.659 CC(O)COC(CN)c1ccc(cc1)Br 34a_100020626992_100011218427 [0,1,0,0,0,1|1,0,1]=4 1113 B15R1.659 CC(O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100011218427 [0,1,0,0,0,1|1,0,1]=4 1114 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)C 2230a_100000749201_100000747473 [0,1,0,0,0,1|2,0,0]=4 1115 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)C 34a_100000749201_100000187820 [0,1,0,0,0,1|2,0,0]=4 1116 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)F 2230a_100011191751_100000747473 [0,1,0,0,0,1|2,0,0]=4 1117 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)F 34a_100011191751_100000187820 [0,1,0,0,0,1|2,0,0]=4 1118 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)O 34a_100015187210_100000187820 [0,1,0,0,0,1|2,0,0]=4 1119 B15R1.659 CCC(NCC(=O)[O-])c1ccc(cc1)C 34a_100000749201_100020667443 [0,1,0,0,0,1|1,0,1]=4 1120 B15R1.659 CCC(NCC(=O)[O-])c1ccc(cc1)F 34a_100011191751_100020667443 [0,1,0,0,0,1|1,0,1]=4 1121 B15R1.659 CCC(NCC(=O)[O-])c1ccc(cc1)O 34a_100015187210_100020667443 [0,1,0,0,0,1|1,0,1]=4 1122 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Br 34a_100000246506_100000187820 [0,1,0,0,0,1|2,0,0]=4 1123 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Br 7a_100000246506_100000187820 [0,1,0,0,0,1|2,0,0]=4 1124 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)C 34a_100000246521_100000187820 [0,1,0,0,0,1|2,0,0]=4 1125 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)C 7a_100000246521_100000187820 [0,1,0,0,0,1|2,0,0]=4 1126 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Cl 34a_100000246471_100000187820 [0,1,0,0,0,1|2,0,0]=4 1127 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Cl 7a_100000246471_100000187820 [0,1,0,0,0,1|2,0,0]=4 1128 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)F 34a_100000246474_100000187820 [0,1,0,0,0,1|2,0,0]=4 1129 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)F 7a_100000246474_100000187820 [0,1,0,0,0,1|2,0,0]=4 1130 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100000246506_100020667443 [0,1,0,0,0,1|1,0,1]=4 1131 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)C 34a_100000246521_100020667443 [0,1,0,0,0,1|1,0,1]=4 1132 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)Cl 34a_100000246471_100020667443 [0,1,0,0,0,1|1,0,1]=4 1133 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)F 34a_100000246474_100020667443 [0,1,0,0,0,1|1,0,1]=4 1134 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100025736560_100000747473 [0,1,0,0,0,1|2,0,0]=4 1135 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Br 34a_100025736560_100000187820 [0,1,0,0,0,1|2,0,0]=4 1136 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015186824_100000747473 [0,1,0,0,0,1|2,0,0]=4 1137 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015186824_100000187820 [0,1,0,0,0,1|2,0,0]=4 1138 B15R1.659 CC[C@H](NCC(=O)[O-])c1ccc(cc1)Br 34a_100025736560_100020667443 [0,1,0,0,0,1|1,0,1]=4 1139 B15R1.659 CC[C@H](NCC(=O)[O-])c1ccc(cc1)Cl 34a_100015186824_100020667443 [0,1,0,0,0,1|1,0,1]=4 1140 B15R1.659 C[C@@H](O)COC(CN)c1ccc(cc1)Br 34a_100020626992_100009817552 [0,1,0,0,0,1|1,0,1]=4 1141 B15R1.659 C[C@@H](O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100009817552 [0,1,0,0,0,1|1,0,1]=4 1142 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)N 2230a_100009818840_100000747473 [0,1,0,0,0,1|2,0,0]=4 1143 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)N 34a_100009818840_100000187820 [0,1,0,0,0,1|2,0,0]=4 1144 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)[O-] 34a_100009818840_100020667443 [0,1,0,0,0,1|1,0,1]=4 1145 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000747473 [0,1,0,0,0,1|2,0,0]=4 1146 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)Br 34a_100000734186_100000187820 [0,1,0,0,0,1|2,0,0]=4 1147 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)F 2230a_100000705410_100000747473 [0,1,0,0,0,1|2,0,0]=4 1148 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)F 34a_100000705410_100000187820 [0,1,0,0,0,1|2,0,0]=4 1149 B15R1.659 NC(=O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000747473 [0,1,0,0,0,1|2,0,0]=4 1150 B15R1.659 NC(=O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000187820 [0,1,0,0,0,1|2,0,0]=4 1151 B15R1.659 NC(=O)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000187820 [0,1,0,0,0,1|2,0,0]=4 1152 B15R1.659 NC(=O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000187820 [0,1,0,0,0,1|2,0,0]=4 1153 B15R1.659 NC(=O)CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000187820 [0,1,0,0,0,1|2,0,0]=4 1154 B15R1.659 NC(=O)CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000187820 [0,1,0,0,0,1|2,0,0]=4 1155 B15R1.659 NCC(OCC(=O)N)c1ccc(cc1)Br 34a_100020626992_100000187820 [0,1,0,0,0,1|1,0,0]=3 1156 B15R1.659 NCC(OCC(=O)N)c1ccc(cc1)Cl 34a_100000736658_100000187820 [0,1,0,0,0,1|1,0,0]=3 1157 B15R1.659 NCC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100020626992_100020667443 [0,1,0,0,0,1|0,0,1]=3 1158 B15R1.659 NCC(OCC(=O)[O-])c1ccc(cc1)Cl 34a_100000736658_100020667443 [0,1,0,0,0,1|0,0,1]=3 1159 B15R1.659 NCC(OC[N+](=O)[O-])c1ccc(cc1)Br 34a_100020626992_100000761209 [0,1,0,0,0,1|1,0,1]=4 1160 B15R1.659 NCC(OC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100000736658_100000761209 [0,1,0,0,0,1|1,0,1]=4 1161 B15R1.659 O=C([O-])CNC(CO)c1ccc(cc1)Br 34a_100000734186_100020667443 [0,1,0,0,0,1|1,0,1]=4 1162 B15R1.659 O=C([O-])CNC(CO)c1ccc(cc1)F 34a_100000705410_100020667443 [0,1,0,0,0,1|1,0,1]=4 1163 B15R1.659 O=C([O-])CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100020667443 [0,1,0,0,0,1|1,0,1]=4 1164 B15R1.659 O=C([O-])COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100020667443 [0,1,0,0,0,1|1,0,1]=4 1165 B15R1.659 O=C([O-])CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100020667443 [0,1,0,0,0,1|1,0,1]=4 1166 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)Cl 2230a_100000737531_100000747473 [0,1,0,0,0,1|2,0,0]=4 1167 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)Cl 34a_100000737531_100000187820 [0,1,0,0,0,1|2,0,0]=4 1168 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)F 2230a_100159265421_100000747473 [0,1,0,0,0,1|2,0,0]=4 1169 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)F 34a_100159265421_100000187820 [0,1,0,0,0,1|2,0,0]=4 1170 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)O 2230a_100159312145_100000747473 [0,1,0,0,0,1|2,0,0]=4 1171 B15R1.660 CCC(NCC(=O)N)c1cccc(c1)O 34a_100159312145_100000187820 [0,1,0,0,0,1|2,0,0]=4 1172 B15R1.660 CCC(NCC(=O)[O-])c1cccc(c1)Cl 34a_100000737531_100020667443 [0,1,0,0,0,1|1,0,1]=4 1173 B15R1.660 CCC(NCC(=O)[O-])c1cccc(c1)F 34a_100159265421_100020667443 [0,1,0,0,0,1|1,0,1]=4 1174 B15R1.660 CCC(NCC(=O)[O-])c1cccc(c1)O 34a_100159312145_100020667443 [0,1,0,0,0,1|1,0,1]=4 1175 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)Cl 34a_100000766619_100000187820 [0,1,0,0,0,1|2,0,0]=4 1176 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)Cl 7a_100000766619_100000187820 [0,1,0,0,0,1|2,0,0]=4 1177 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)F 34a_100011350881_100000187820 [0,1,0,0,0,1|2,0,0]=4 1178 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)F 7a_100011350881_100000187820 [0,1,0,0,0,1|2,0,0]=4 1179 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)I 34a_200013212081_100000187820 [0,1,0,0,0,1|2,0,0]=4 1180 B15R1.660 CCC(OCC(=O)N)c1cccc(c1)I 7a_200013212081_100000187820 [0,1,0,0,0,1|2,0,0]=4 1181 B15R1.660 CCC(OCC(=O)[O-])c1cccc(c1)Cl 34a_100000766619_100020667443 [0,1,0,0,0,1|1,0,1]=4 1182 B15R1.660 CCC(OCC(=O)[O-])c1cccc(c1)F 34a_100011350881_100020667443 [0,1,0,0,0,1|1,0,1]=4 1183 B15R1.660 CCC(OCC(=O)[O-])c1cccc(c1)I 34a_200013212081_100020667443 [0,1,0,0,0,1|1,0,1]=4 1184 B15R1.660 CCN(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_100000210202 [0,1,0,0,0,1|2,0,0]=4 1185 B15R1.660 CC[C@@H](NCC(=O)N)c1cccc(c1)C 2230a_200016991486_100000747473 [0,1,0,0,0,1|2,0,0]=4 1186 B15R1.660 CC[C@@H](NCC(=O)N)c1cccc(c1)C 34a_200016991486_100000187820 [0,1,0,0,0,1|2,0,0]=4 1187 B15R1.660 CC[C@@H](NCC(=O)[O-])c1cccc(c1)C 34a_200016991486_100020667443 [0,1,0,0,0,1|1,0,1]=4 1188 B15R1.660 CC[C@H](NCC(=O)N)c1cccc(c1)Br 2230a_100102422761_100000747473 [0,1,0,0,0,1|2,0,0]=4 1189 B15R1.660 CC[C@H](NCC(=O)N)c1cccc(c1)Br 34a_100102422761_100000187820 [0,1,0,0,0,1|2,0,0]=4 1190 B15R1.660 CC[C@H](NCC(=O)[O-])c1cccc(c1)Br 34a_100102422761_100020667443 [0,1,0,0,0,1|1,0,1]=4 1191 B15R1.660 Cc1cccc(c1)[C@@H](CO)NCC(=O)N 2230a_100009818812_100000747473 [0,1,0,0,0,1|2,0,0]=4 1192 B15R1.660 Cc1cccc(c1)[C@@H](CO)NCC(=O)N 34a_100009818812_100000187820 [0,1,0,0,0,1|2,0,0]=4 1193 B15R1.660 Cc1cccc(c1)[C@@H](CO)NCC(=O)[O-] 34a_100009818812_100020667443 [0,1,0,0,0,1|1,0,1]=4 1194 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)Br 2230a_100000690078_100000747473 [0,1,0,0,0,1|2,0,0]=4 1195 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)Br 34a_100000690078_100000187820 [0,1,0,0,0,1|2,0,0]=4 1196 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)O 2230a_100025717460_100000747473 [0,1,0,0,0,1|2,0,0]=4 1197 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)O 34a_100025717460_100000187820 [0,1,0,0,0,1|2,0,0]=4 1198 B15R1.660 NC(=O)CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000747473 [0,1,0,0,0,1|2,0,0]=4 1199 B15R1.660 NC(=O)CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000187820 [0,1,0,0,0,1|2,0,0]=4 1200 B15R1.660 NC(=O)CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000747473 [0,1,0,0,0,1|2,0,0]=4 1201 B15R1.660 NC(=O)CN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000187820 [0,1,0,0,0,1|2,0,0]=4 1202 B15R1.660 O=C(O)CCN(CF)c1cccc(c1)F 269956a_200011244148_100015361967 [0,1,0,0,0,1|2,0,0]=4 1203 B15R1.660 O=C([O-])CNC(CO)c1cccc(c1)Br 34a_100000690078_100020667443 [0,1,0,0,0,1|1,0,1]=4 1204 B15R1.660 O=C([O-])CNC(CO)c1cccc(c1)O 34a_100025717460_100020667443 [0,1,0,0,0,1|1,0,1]=4 1205 B15R1.660 O=C([O-])CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100020667443 [0,1,0,0,0,1|1,0,1]=4 1206 B15R1.660 O=C([O-])CN[C@H](CO)c1cccc(c1)F 34a_100020641251_100020667443 [0,1,0,0,0,1|1,0,1]=4 1207 B15R1.1097 C#CC(OCC(=O)OC)c1ccccc1 34a_100011219616_100000747449 [0,1,0,0,0,1|1,0,1]=4 1208 B15R1.1097 C#CC(OCC(=O)OC)c1ccccc1 7a_100011219616_100000747449 [0,1,0,0,0,1|1,0,1]=4 1209 B15R1.1097 C=C(C#N)COC(CN)c1ccccc1 34a_100000210709_100000694840 [0,1,0,0,0,1|2,0,0]=4 1210 B15R1.1097 C=CC(O)COC(CN)c1ccccc1 34a_100000210709_100000730141 [0,1,0,0,0,1|1,0,1]=4 1211 B15R1.1097 C=CC(OCC(=O)OC)c1ccccc1 34a_100011215659_100000747449 [0,1,0,0,0,1|1,0,1]=4 1212 B15R1.1097 C=CC(OCC(=O)OC)c1ccccc1 7a_100011215659_100000747449 [0,1,0,0,0,1|1,0,1]=4 1213 B15R1.1097 C=CC(SCC(=O)OC)c1ccccc1 62a_100000747449_200000085779 [0,1,0,0,0,1|1,0,1]=4 1214 B15R1.1097 C=CC(SCC(=O)OC)c1ccccc1 62a_200000085779_100000747449 [0,1,0,0,0,1|1,0,1]=4 1215 B15R1.1097 CCC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000747405 [0,1,0,0,0,1|2,0,0]=4 1216 B15R1.1097 CCC(=O)COC(CC)c1ccccc1 7a_100000698172_100000747405 [0,1,0,0,0,1|2,0,0]=4 1217 B15R1.1097 CCC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000747405 [0,1,0,0,0,1|2,0,0]=4 1218 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 2230a_100000737752_100000183359 [0,1,0,0,0,1|2,0,0]=4 1219 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 269862a_100000693194_100000210124 [0,1,0,0,0,1|2,0,0]=4 1220 B15R1.1097 CCC(NCC(=O)OC)c1ccccc1 2230a_100000737752_100000747449 [0,1,0,0,0,1|1,0,0]=3 1221 B15R1.1097 CCC(NCC(=O)OC)c1ccccn1 2230a_100015186561_100000747449 [0,1,0,0,0,1|2,0,0]=4 1222 B15R1.1097 CCC(NCC(=O)OC)c1cccnc1 2230a_100000246009_100000747449 [0,1,0,0,0,1|2,0,0]=4 1223 B15R1.1097 CCC(O)COC(CN)c1ccccc1 34a_100000210709_100011218378 [0,1,0,0,0,1|1,0,1]=4 1224 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 34a_100000698172_100000183359 [0,1,0,0,0,1|2,0,0]=4 1225 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 7a_100000698172_100000183359 [0,1,0,0,0,1|2,0,0]=4 1226 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 34a_100000698172_100000747449 [0,1,0,0,0,1|1,0,0]=3 1227 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 7a_100000698172_100000747449 [0,1,0,0,0,1|1,0,0]=3 1228 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 2230a_100000210013_100000204255 [0,1,0,0,0,1|2,0,0]=4 1229 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 269982a_100000210013_100000204255 [0,1,0,0,0,1|2,0,0]=4 1230 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 269982a_100011203847_100000204670 [0,1,0,0,0,1|2,0,0]=4 1231 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 34a_100000210013_100000742370 [0,1,0,0,0,1|2,0,0]=4 1232 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 34a_100011203847_100000210202 [0,1,0,0,0,1|2,0,0]=4 1233 B15R1.1097 CNC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000183359 [0,1,0,0,0,1|2,0,0]=4 1234 B15R1.1097 CNC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000183359 [0,1,0,0,0,1|2,0,0]=4 1235 B15R1.1097 CNC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000183359 [0,1,0,0,0,1|2,0,0]=4 1236 B15R1.1097 CNC(=O)COC(CN)c1ccccc1 34a_100000210709_100000183359 [0,1,0,0,0,1|1,0,0]=3 1237 B15R1.1097 CNC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000183359 [0,1,0,0,0,1|2,0,0]=4 1238 B15R1.1097 CNC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000183359 [0,1,0,0,0,1|2,0,0]=4 1239 B15R1.1097 COC(=O)CCN(CF)c1ccccc1 269982a_100011203847_100015361967 [0,1,0,0,0,1|2,0,0]=4 1240 B15R1.1097 COC(=O)CCN(CF)c1ccccc1 34a_100011203847_100015361967 [0,1,0,0,0,1|2,0,0]=4 1241 B15R1.1097 COC(=O)CNC(CO)c1ccccn1 2230a_100015196888_100000747449 [0,1,0,0,0,1|2,0,0]=4 1242 B15R1.1097 COC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747449 [0,1,0,0,0,1|1,0,0]=3 1243 B15R1.1097 COC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000747449 [0,1,0,0,0,1|1,0,0]=3 1244 B15R1.1097 COC(=O)CN[C@H](CO)c1ccncc1 2230a_100138412524_100000747449 [0,1,0,0,0,1|2,0,0]=4 1245 B15R1.1097 COC(=O)COC(C#N)c1ccccc1 7a_100011217353_100000747449 [0,1,0,0,0,1|0,0,2]=4 1246 B15R1.1097 COC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000747449 [0,1,0,0,0,1|1,0,0]=3 1247 B15R1.1097 COC(=O)COC(CN)c1ccccc1 34a_100000210709_100000747449 [0,1,0,0,0,1|0,0,0]=2 1248 B15R1.1097 COC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000747449 [0,1,0,0,0,1|1,0,0]=3 1249 B15R1.1097 COC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000747449 [0,1,0,0,0,1|1,0,0]=3 1250 B15R1.1097 C[C@@H](CO)COC(CN)c1ccccc1 34a_100000210709_100000059175 [0,1,0,0,0,1|1,0,1]=4 1251 B15R1.1097 NCC(OCC(O)CO)c1ccccc1 34a_100000210709_100011219619 [0,1,0,0,0,1|0,0,2]=4 1252 B15R1.1097 NCC(OC[C@@H](O)CF)c1ccccc1 34a_100000210709_100015614560 [0,1,0,0,0,1|1,0,1]=4 1253 B15R1.1097 NCC(OC[C@@H](O)CO)c1ccccc1 34a_100000210709_100009815848 [0,1,0,0,0,1|0,0,2]=4 1254 B15R1.1299 C=C(C)COC(CCN)c1ccccc1 34a_100000763605_100000748629 [0,1,0,0,0,1|2,0,0]=4 1255 B15R1.1299 C=C(F)COC(CCN)c1ccccc1 34a_100000763605_100009893438 [0,1,0,0,0,1|2,0,0]=4 1256 B15R1.1299 C=CCC(OCC(=O)N)c1ccccc1 34a_100000687291_100000187820 [0,1,0,0,0,1|2,0,0]=4 1257 B15R1.1299 C=CCC(OCC(=O)N)c1ccccc1 7a_100000687291_100000187820 [0,1,0,0,0,1|2,0,0]=4 1258 B15R1.1299 C=CCC(OCC(=O)[O-])c1ccccc1 34a_100000687291_100020667443 [0,1,0,0,0,1|1,0,1]=4 1259 B15R1.1299 CC(O)COC(CCN)c1ccccc1 34a_100000763605_100011218427 [0,1,0,0,0,1|1,0,1]=4 1260 B15R1.1299 CCCC(NCC(=O)N)c1ccccc1 2230a_100000189686_100000747473 [0,1,0,0,0,1|2,0,0]=4 1261 B15R1.1299 CCCC(NCC(=O)N)c1ccccc1 34a_100000189686_100000187820 [0,1,0,0,0,1|2,0,0]=4 1262 B15R1.1299 CCCC(NCC(=O)[O-])c1ccccc1 34a_100000189686_100020667443 [0,1,0,0,0,1|1,0,1]=4 1263 B15R1.1299 CCCC(OCC(=O)N)c1ccccc1 34a_100000747916_100000187820 [0,1,0,0,0,1|2,0,0]=4 1264 B15R1.1299 CCCC(OCC(=O)N)c1ccccc1 7a_100000747916_100000187820 [0,1,0,0,0,1|2,0,0]=4 1265 B15R1.1299 CCCC(OCC(=O)[O-])c1ccccc1 34a_100000747916_100020667443 [0,1,0,0,0,1|1,0,1]=4 1266 B15R1.1299 CCN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_100000210202 [0,1,0,0,0,1|1,0,0]=3 1267 B15R1.1299 COC[C@@H](NCC(=O)N)c1ccccc1 2230a_103619048568_100000747473 [0,1,0,0,0,1|2,0,0]=4 1268 B15R1.1299 COC[C@@H](NCC(=O)N)c1ccccc1 34a_103619048568_100000187820 [0,1,0,0,0,1|2,0,0]=4 1269 B15R1.1299 COC[C@@H](NCC(=O)[O-])c1ccccc1 34a_103619048568_100020667443 [0,1,0,0,0,1|1,0,1]=4 1270 B15R1.1299 C[C@@H](O)COC(CCN)c1ccccc1 34a_100000763605_100009817552 [0,1,0,0,0,1|1,0,1]=4 1271 B15R1.1299 N#CC[C@@H](OCC(=O)N)c1ccccc1 7a_100009817555_100000187820 [0,1,0,0,0,1|1,0,1]=4 1272 B15R1.1299 NC(=O)CNC(CCCl)c1ccccc1 2230a_100000711301_200010132975 [0,1,0,0,0,1|2,0,0]=4 1273 B15R1.1299 NC(=O)CN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000747473 [0,1,0,0,0,1|2,0,0]=4 1274 B15R1.1299 NC(=O)CO[C@H](CCCl)c1ccccc1 34a_100000729684_100000187820 [0,1,0,0,0,1|2,0,0]=4 1275 B15R1.1299 NC(=O)CO[C@H](CCCl)c1ccccc1 7a_100000729684_100000187820 [0,1,0,0,0,1|2,0,0]=4 1276 B15R1.1299 NC(=O)CSC(CCCl)c1ccccc1 62a_100000747473_200010132975 [0,1,0,0,0,1|2,0,0]=4 1277 B15R1.1299 NC(=O)CSC(CCCl)c1ccccc1 62a_200010132975_100000747473 [0,1,0,0,0,1|2,0,0]=4 1278 B15R1.1299 NCCC(OCC(=O)N)c1ccccc1 34a_100000763605_100000187820 [0,1,0,0,0,1|1,0,0]=3 1279 B15R1.1299 NCCC(OCC(=O)[O-])c1ccccc1 34a_100000763605_100020667443 [0,1,0,0,0,1|0,0,1]=3 1280 B15R1.1299 NCCC(OC[N+](=O)[O-])c1ccccc1 34a_100000763605_100000761209 [0,1,0,0,0,1|1,0,1]=4 1281 B15R1.1299 O=C(O)CC[C@@H](NCF)c1ccccc1 269956a_100020634680_100015361967 [0,1,0,0,0,1|1,0,0]=3 1282 B15R1.1299 O=C(O)CNC(CCCl)c1ccccc1 269956a_100016091260_200010132975 [0,1,0,0,0,1|1,0,0]=3 1283 B15R1.1299 O=C([O-])CO[C@H](CCCl)c1ccccc1 34a_100000729684_100020667443 [0,1,0,0,0,1|1,0,1]=4 1284 B15R1.1299 O=C([O-])CSC(CCCl)c1ccccc1 62a_100020667443_200010132975 [0,1,0,0,0,1|1,0,1]=4 1285 B15R1.1299 O=C([O-])CSC(CCCl)c1ccccc1 62a_200010132975_100020667443 [0,1,0,0,0,1|1,0,1]=4 1286 B15R1.1350 C=CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_200000085779 [0,1,0,0,0,1|1,0,1]=4 1287 B15R1.1350 CCC(C(=O)CC(=O)N)c1ccccc1 1458a_100000211302_100000187820 [0,1,0,0,0,1|2,0,0]=4 1288 B15R1.1350 CCC(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211302_100020667443 [0,1,0,0,0,1|1,0,1]=4 1289 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 2230a_100000737544_100000747473 [0,1,0,0,0,1|2,0,0]=4 1290 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 269982a_100000737544_100000187820 [0,1,0,0,0,1|2,0,0]=4 1291 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000737544_100020667443 [0,1,0,0,0,1|1,0,1]=4 1292 B15R1.1350 NC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000187820 [0,1,0,0,0,1|2,0,0]=4 1293 B15R1.1350 O=C([O-])CC(=O)C(CO)c1ccccc1 1458a_100011218805_100020667443 [0,1,0,0,0,1|1,0,1]=4 1294 B15R1.5334 CC(C)(O)COC(CN)c1ccccc1 34a_100000210709_100000764493 [0,1,0,0,0,1|1,0,1]=4 1295 B15R1.5334 NCC(OCS(=O)(=O)[O-])c1ccccc1 34a_100000210709_100009817235 [0,1,0,0,0,1|1,0,1]=4 1296 B15R1.10019 C=C(C)COC(CN)c1ccccc1Br 34a_100011236429_100000748629 [0,1,0,0,0,1|2,0,0]=4 1297 B15R1.10019 C=C(C)COC(CN)c1ccccc1Cl 34a_200000759403_100000748629 [0,1,0,0,0,1|2,0,0]=4 1298 B15R1.10019 C=C(F)COC(CN)c1ccccc1Br 34a_100011236429_100009893438 [0,1,0,0,0,1|2,0,0]=4 1299 B15R1.10019 C=C(F)COC(CN)c1ccccc1Cl 34a_200000759403_100009893438 [0,1,0,0,0,1|2,0,0]=4 1300 B15R1.10019 CC(O)COC(CN)c1ccccc1Br 34a_100011236429_100011218427 [0,1,0,0,0,1|1,0,1]=4 1301 B15R1.10019 CC(O)COC(CN)c1ccccc1Cl 34a_200000759403_100011218427 [0,1,0,0,0,1|1,0,1]=4 1302 B15R1.10019 CCC(OCC(=O)N)c1ccccc1F 34a_200011689290_100000187820 [0,1,0,0,0,1|2,0,0]=4 1303 B15R1.10019 CCC(OCC(=O)N)c1ccccc1F 7a_200011689290_100000187820 [0,1,0,0,0,1|2,0,0]=4 1304 B15R1.10019 CCC(OCC(=O)[O-])c1ccccc1F 34a_200011689290_100020667443 [0,1,0,0,0,1|1,0,1]=4 1305 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1Cl 2230a_200016987949_100000747473 [0,1,0,0,0,1|2,0,0]=4 1306 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1Cl 34a_200016987949_100000187820 [0,1,0,0,0,1|2,0,0]=4 1307 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1F 2230a_100015190424_100000747473 [0,1,0,0,0,1|2,0,0]=4 1308 B15R1.10019 CC[C@H](NCC(=O)N)c1ccccc1F 34a_100015190424_100000187820 [0,1,0,0,0,1|2,0,0]=4 1309 B15R1.10019 CC[C@H](NCC(=O)[O-])c1ccccc1Cl 34a_200016987949_100020667443 [0,1,0,0,0,1|1,0,1]=4 1310 B15R1.10019 CC[C@H](NCC(=O)[O-])c1ccccc1F 34a_100015190424_100020667443 [0,1,0,0,0,1|1,0,1]=4 1311 B15R1.10019 C[C@@H](O)COC(CN)c1ccccc1Br 34a_100011236429_100009817552 [0,1,0,0,0,1|1,0,1]=4 1312 B15R1.10019 C[C@@H](O)COC(CN)c1ccccc1Cl 34a_200000759403_100009817552 [0,1,0,0,0,1|1,0,1]=4 1313 B15R1.10019 N#CC(NCC(=O)O)c1ccccc1Br 269956a_100016091260_200011581958 [0,1,0,0,0,1|0,0,2]=4 1314 B15R1.10019 NC(=O)CNC(CO)c1ccccc1Cl 2230a_100138412506_100000747473 [0,1,0,0,0,1|2,0,0]=4 1315 B15R1.10019 NC(=O)CNC(CO)c1ccccc1Cl 34a_100138412506_100000187820 [0,1,0,0,0,1|2,0,0]=4 1316 B15R1.10019 NC(=O)CN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000747473 [0,1,0,0,0,1|2,0,0]=4 1317 B15R1.10019 NC(=O)CN[C@@H](CO)c1ccccc1F 34a_100009818778_100000187820 [0,1,0,0,0,1|2,0,0]=4 1318 B15R1.10019 NC(=O)CN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000747473 [0,1,0,0,0,1|2,0,0]=4 1319 B15R1.10019 NC(=O)CN[C@H](CO)c1ccccc1Br 34a_100161155918_100000187820 [0,1,0,0,0,1|2,0,0]=4 1320 B15R1.10019 NCC(OCC(=O)N)c1ccccc1Br 34a_100011236429_100000187820 [0,1,0,0,0,1|1,0,0]=3 1321 B15R1.10019 NCC(OCC(=O)N)c1ccccc1Cl 34a_200000759403_100000187820 [0,1,0,0,0,1|1,0,0]=3 1322 B15R1.10019 NCC(OCC(=O)[O-])c1ccccc1Br 34a_100011236429_100020667443 [0,1,0,0,0,1|0,0,1]=3 1323 B15R1.10019 NCC(OCC(=O)[O-])c1ccccc1Cl 34a_200000759403_100020667443 [0,1,0,0,0,1|0,0,1]=3 1324 B15R1.10019 NCC(OC[N+](=O)[O-])c1ccccc1Br 34a_100011236429_100000761209 [0,1,0,0,0,1|1,0,1]=4 1325 B15R1.10019 NCC(OC[N+](=O)[O-])c1ccccc1Cl 34a_200000759403_100000761209 [0,1,0,0,0,1|1,0,1]=4 1326 B15R1.10019 O=C([O-])CNC(CO)c1ccccc1Cl 34a_100138412506_100020667443 [0,1,0,0,0,1|1,0,1]=4 1327 B15R1.10019 O=C([O-])CN[C@@H](CO)c1ccccc1F 34a_100009818778_100020667443 [0,1,0,0,0,1|1,0,1]=4 1328 B15R1.10019 O=C([O-])CN[C@H](CO)c1ccccc1Br 34a_100161155918_100020667443 [0,1,0,0,0,1|1,0,1]=4 1329 B15R1.12293 CC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100009888967 [0,1,0,0,0,1|1,0,1]=4 1330 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 11a_200009885855_100015343762 [0,1,0,0,0,1|2,0,0]=4 1331 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 1626a_200009885855_100015343762 [0,1,0,0,0,1|2,0,0]=4 1332 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 240690a_200009885855_100015343762 [0,1,0,0,0,1|2,0,0]=4 1333 B15R1.12293 CC(=O)NC[C@H](c1ccccc1)C(C)C 527a_200009885855_100103153847 [0,1,0,0,0,1|2,0,0]=4 1334 B15R1.12293 CC(C)C(OCC(=O)N)c1ccccc1 34a_200011217822_100000187820 [0,1,0,0,0,1|2,0,0]=4 1335 B15R1.12293 CC(C)C(OCC(=O)N)c1ccccc1 7a_200011217822_100000187820 [0,1,0,0,0,1|2,0,0]=4 1336 B15R1.12293 CC(C)C(OCC(=O)[O-])c1ccccc1 34a_200011217822_100020667443 [0,1,0,0,0,1|1,0,1]=4 1337 B15R1.12293 CC(C)[C@H](NCC(=O)N)c1ccccc1 2230a_100015186014_100000747473 [0,1,0,0,0,1|2,0,0]=4 1338 B15R1.12293 CC(C)[C@H](NCC(=O)N)c1ccccc1 34a_100015186014_100000187820 [0,1,0,0,0,1|2,0,0]=4 1339 B15R1.12293 CC(C)[C@H](NCC(=O)[O-])c1ccccc1 34a_100015186014_100020667443 [0,1,0,0,0,1|1,0,1]=4 1340 B15R1.12293 C[C@H](O)[C@@H](NCC(=O)N)c1ccccc1 2230a_100134616770_100000747473 [0,1,0,0,0,1|2,0,0]=4 1341 B15R1.12293 NC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000188848 [0,1,0,0,0,1|0,0,1]=3 1342 B15R1.12293 NC(=O)C(OCC(=O)[O-])c1ccccc1 34a_100011200849_100020667443 [0,1,0,0,0,1|0,0,2]=4 1343 B15R1.12293 NC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100000188848_100020667443 [0,1,0,0,0,1|0,0,2]=4 1344 B15R1.12293 NC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000188848 [0,1,0,0,0,1|0,0,2]=4 1345 B15R1.12293 NC(=O)CNC(C(=O)N)c1ccccc1 2230a_100000711301_100000188848 [0,1,0,0,0,1|1,0,1]=4 1346 B15R1.12293 NC(=O)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000747473 [0,1,0,0,0,1|1,0,1]=4 1347 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 34a_100011200849_100000187820 [0,1,0,0,0,1|1,0,1]=4 1348 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 7a_100011200849_100000187820 [0,1,0,0,0,1|1,0,1]=4 1349 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000747473 [0,1,0,0,0,1|1,0,1]=4 1350 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000747473_100000188848 [0,1,0,0,0,1|1,0,1]=4 1351 B15R1.13394 CCC(C)(OCC(=O)N)c1ccccc1 7a_100000748282_100000187820 [0,1,0,0,0,1|2,0,0]=4 1352 B15R1.13394 N#CC(F)(NCC(=O)O)c1ccccc1 269956a_100016091260_200000117376 [0,1,0,0,0,1|0,0,2]=4 1353 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746405_100011217064 [0,1,0,0,0,1|2,0,0]=4 1354 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)C 269956a_100000746405_100000210814 [0,1,0,0,0,1|2,0,0]=4 1355 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746405_100000187161 [0,1,0,0,0,1|2,0,0]=4 1356 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000210202 [0,1,0,0,0,1|2,0,0]=4 1357 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746405_100000198546 [0,1,0,0,0,1|2,0,0]=4 1358 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746405_100000189116 [0,1,0,0,0,1|2,0,0]=4 1359 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200000210301 [0,1,0,0,0,1|2,0,0]=4 1360 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200000210301 [0,1,0,0,0,1|2,0,0]=4 1361 B15R1.656 O=C(O)CN(CF)Cc1ccc(cc1)Cl 269956a_100000756320_100015361967 [0,1,0,0,0,1|2,0,0]=4 1362 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200025704644 [0,1,0,0,0,1|2,0,0]=4 1363 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200025704644 [0,1,0,0,0,1|2,0,0]=4 1364 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746405_100000211773 [0,1,0,0,0,1|2,0,0]=4 1365 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_100000210202 [0,1,0,0,0,1|2,0,0]=4 1366 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)C 269956a_100000746405_100000005736 [0,1,0,0,0,1|2,0,0]=4 1367 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746405_100000187163 [0,1,0,0,0,1|2,0,0]=4 1368 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746405_100000230114 [0,1,0,0,0,1|2,0,0]=4 1369 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746405_100011218688 [0,1,0,0,0,1|2,0,0]=4 1370 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746405_100011660834 [0,1,0,0,0,1|2,0,0]=4 1371 B15R1.663 CN[C@@H](CC(=O)O)Cc1cccc(c1)F 269956a_100016990688_200000210301 [0,1,0,0,0,1|2,0,0]=4 1372 B15R1.663 CN[C@H](CC(=O)O)Cc1cccc(c1)Cl 269956a_100016990687_200000210301 [0,1,0,0,0,1|2,0,0]=4 1373 B15R1.663 O=C(O)CN(CF)Cc1cccc(c1)Br 269956a_114849113268_100015361967 [0,1,0,0,0,1|2,0,0]=4 1374 B15R1.663 [13CH3]N[C@@H](CC(=O)O)Cc1cccc(c1)F 269956a_100016990688_200025704644 [0,1,0,0,0,1|2,0,0]=4 1375 B15R1.663 [13CH3]N[C@H](CC(=O)O)Cc1cccc(c1)Cl 269956a_100016990687_200025704644 [0,1,0,0,0,1|2,0,0]=4 1376 B15R1.670 CCN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_100000210202 [0,1,0,0,0,1|2,0,0]=4 1377 B15R1.670 CCN(CC(=O)O)Cc1ccccc1Br 269956a_100000746405_100000184730 [0,1,0,0,0,1|2,0,0]=4 1378 B15R1.670 CCN(CC(=O)O)Cc1ccccc1C 269956a_100000746405_100000211750 [0,1,0,0,0,1|2,0,0]=4 1379 B15R1.670 CCN(CC(=O)O)Cc1ccccc1C 269956a_200000743881_100000210202 [0,1,0,0,0,1|2,0,0]=4 1380 B15R1.670 CCN(CC(=O)O)Cc1ccccc1Cl 269956a_100000746405_100000187162 [0,1,0,0,0,1|2,0,0]=4 1381 B15R1.670 CCN(CC(=O)O)Cc1ccccc1F 269956a_100000746405_100000187165 [0,1,0,0,0,1|2,0,0]=4 1382 B15R1.670 CCN(CC(=O)O)Cc1ccccc1I 269956a_100000746405_100011216222 [0,1,0,0,0,1|2,0,0]=4 1383 B15R1.670 Cc1ccccc1CN(CF)CC(=O)O 269956a_200000743881_100015361967 [0,1,0,0,0,1|2,0,0]=4 1384 B15R1.670 O=C(O)CN(CF)Cc1ccccc1Br 269956a_100000735713_100015361967 [0,1,0,0,0,1|2,0,0]=4 1385 B15R1.671 CC(C(=O)O)N(CF)Cc1ccccc1 269956a_100000740634_100015361967 [0,1,0,0,0,1|2,0,0]=4 1386 B15R1.671 CCN(Cc1ccccc1)C(C)C(=O)O 269956a_100000740634_100000210202 [0,1,0,0,0,1|2,0,0]=4 1387 B15R1.966 CCN(CC(=O)OC)Cc1ccccc1 2230a_100000186914_100000747449 [0,1,0,0,0,1|2,0,0]=4 1388 B15R1.966 CCN(CC(=O)OC)Cc1ccccc1 2230a_100000219879_100000210202 [0,1,0,0,0,1|2,0,0]=4 1389 B15R1.966 CCN(CC(=O)OC)Cc1ccccc1 269982a_100000186914_100000747449 [0,1,0,0,0,1|2,0,0]=4 1390 B15R1.966 CCN(CC(=O)OC)Cc1ccccc1 269982a_100000219879_100000204670 [0,1,0,0,0,1|2,0,0]=4 1391 B15R1.966 COC(=O)CN(CF)Cc1ccccc1 269982a_100000219879_100015361967 [0,1,0,0,0,1|2,0,0]=4 1392 B15R1.966 O=C(CO)NC(CO)Cc1ccccc1 240690a_100000739027_100000210174 [0,1,0,0,0,1|2,0,0]=4 1393 B15R1.966 O=C(CO)NC(CO)Cc1ccccc1 527a_100000739027_100000210174 [0,1,0,0,0,1|2,0,0]=4 1394 B15R1.1310 C#CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000184674 [0,1,0,0,0,1|2,0,0]=4 1395 B15R1.1310 C#CCN(CC(=O)O)Cc1ccccc1 269956a_100011236498_100015291786 [0,1,0,0,0,1|2,0,0]=4 1396 B15R1.1310 C=CCN(CC(=O)O)Cc1ccccc1 269956a_100000744315_100015291786 [0,1,0,0,0,1|2,0,0]=4 1397 B15R1.1310 C=CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210623 [0,1,0,0,0,1|2,0,0]=4 1398 B15R1.1310 CCCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210207 [0,1,0,0,0,1|2,0,0]=4 1399 B15R1.1310 CCN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000210202 [0,1,0,0,0,1|1,0,0]=3 1400 B15R1.1310 COCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000766300 [0,1,0,0,0,1|2,0,0]=4 1401 B15R1.1310 CSCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100011218213 [0,1,0,0,0,1|2,0,0]=4 1402 B15R1.1310 N#CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100011215382 [0,1,0,0,0,1|1,0,1]=4 1403 B15R1.1310 O=C(O)CN(CCF)Cc1ccccc1 269956a_100000745947_100011217306 [0,1,0,0,0,1|2,0,0]=4 1404 B15R1.1310 O=C(O)CN(CCO)Cc1ccccc1 269956a_100000745947_100000211926 [0,1,0,0,0,1|2,0,0]=4 1405 B15R1.1310 O=C(O)CN(CCO)Cc1ccccc1 269956a_100000747938_100015291786 [0,1,0,0,0,1|2,0,0]=4 1406 B15R1.1310 O=C(O)C[C@H](Cc1ccccc1)NCF 269956a_100000009519_100015361967 [0,1,0,0,0,1|1,0,0]=3 1407 B15R1.1310 O=CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200015260668 [0,1,0,0,0,1|2,0,0]=4 1408 B15R1.1357 CCN(CC(=O)O)C(C)c1ccccc1 269956a_100000746405_100000211855 [0,1,0,0,0,1|2,0,0]=4 1409 B15R1.1357 CCN(CC(=O)O)[C@@H](C)c1ccccc1 269956a_100011939985_100000210202 [0,1,0,0,0,1|2,0,0]=4 1410 B15R1.1357 C[C@@H](c1ccccc1)N(CF)CC(=O)O 269956a_100011939985_100015361967 [0,1,0,0,0,1|2,0,0]=4 1411 B15R1.3565 CC(C)N(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210206 [0,1,0,0,0,1|2,0,0]=4 1412 B15R1.152 C#CCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000688953 [0,2,0,0,0,0|2,0,0]=4 1413 B15R1.152 C#CCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100000184674 [0,2,0,0,0,0|2,0,0]=4 1414 B15R1.152 C#CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000184674 [0,2,0,0,0,0|1,0,0]=3 1415 B15R1.152 C/C=C/CN(CC(=O)O)c1ccccc1 269956a_100000212060_100102629194 [0,2,0,0,0,0|2,0,0]=4 1416 B15R1.152 C=CCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000754431 [0,2,0,0,0,0|2,0,0]=4 1417 B15R1.152 C=CCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100000210623 [0,2,0,0,0,0|2,0,0]=4 1418 B15R1.152 C=CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210623 [0,2,0,0,0,0|1,0,0]=3 1419 B15R1.152 CC#CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000748600 [0,2,0,0,0,0|2,0,0]=4 1420 B15R1.152 CCCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210211 [0,2,0,0,0,0|2,0,0]=4 1421 B15R1.152 CCCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100000210207 [0,2,0,0,0,0|2,0,0]=4 1422 B15R1.152 CCCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210207 [0,2,0,0,0,0|1,0,0]=3 1423 B15R1.152 CCNCC(CC(=O)O)c1ccccc1 269956a_100016987574_100000210202 [0,2,0,0,0,0|0,0,0]=2 1424 B15R1.152 CCOCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000739092 [0,2,0,0,0,0|2,0,0]=4 1425 B15R1.152 COCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000233755 [0,2,0,0,0,0|2,0,0]=4 1426 B15R1.152 COCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100000766300 [0,2,0,0,0,0|2,0,0]=4 1427 B15R1.152 COCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000766300 [0,2,0,0,0,0|1,0,0]=3 1428 B15R1.152 CSCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000212216 [0,2,0,0,0,0|2,0,0]=4 1429 B15R1.152 CSCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100011218213 [0,2,0,0,0,0|2,0,0]=4 1430 B15R1.152 CSCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100011218213 [0,2,0,0,0,0|1,0,0]=3 1431 B15R1.152 N#CCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100011215226 [0,2,0,0,0,0|1,0,1]=4 1432 B15R1.152 N#CCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100011215382 [0,2,0,0,0,0|1,0,1]=4 1433 B15R1.152 N#CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100011215382 [0,2,0,0,0,0|0,0,1]=3 1434 B15R1.152 N#CSCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000211825 [0,2,0,0,0,0|1,0,1]=4 1435 B15R1.152 O=C(O)CC(CNCF)c1ccccc1 269956a_100016987574_100015361967 [0,2,0,0,0,0|0,0,0]=2 1436 B15R1.152 O=C(O)CC(NCCF)c1cccnc1 269956a_100000239604_100011217306 [0,2,0,0,0,0|2,0,0]=4 1437 B15R1.152 O=C(O)CC(NCCO)c1cccnc1 269956a_100000239604_100000211926 [0,2,0,0,0,0|2,0,0]=4 1438 B15R1.152 O=C(O)CN(CCCF)c1ccccc1 269956a_100000212060_100011934791 [0,2,0,0,0,0|2,0,0]=4 1439 B15R1.152 O=C(O)CN(CCCO)c1ccccc1 269956a_100000212060_100011215043 [0,2,0,0,0,0|2,0,0]=4 1440 B15R1.152 O=C(O)C[C@H](NCCF)c1ccccc1 269956a_100000751379_100011217306 [0,2,0,0,0,0|1,0,0]=3 1441 B15R1.152 O=C(O)C[C@H](NCCO)c1ccccc1 269956a_100000751379_100000211926 [0,2,0,0,0,0|1,0,0]=3 1442 B15R1.152 O=CCNC(CC(=O)O)c1cccnc1 269956a_100000239604_200015260668 [0,2,0,0,0,0|2,0,0]=4 1443 B15R1.152 O=CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200015260668 [0,2,0,0,0,0|1,0,0]=3 1444 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000184674 [0,2,0,0,0,0|2,0,0]=4 1445 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000184674 [0,2,0,0,0,0|2,0,0]=4 1446 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000184674 [0,2,0,0,0,0|2,0,0]=4 1447 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000184674 [0,2,0,0,0,0|2,0,0]=4 1448 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210623 [0,2,0,0,0,0|2,0,0]=4 1449 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210623 [0,2,0,0,0,0|2,0,0]=4 1450 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210623 [0,2,0,0,0,0|2,0,0]=4 1451 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210623 [0,2,0,0,0,0|2,0,0]=4 1452 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210207 [0,2,0,0,0,0|2,0,0]=4 1453 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210207 [0,2,0,0,0,0|2,0,0]=4 1454 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210207 [0,2,0,0,0,0|2,0,0]=4 1455 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210207 [0,2,0,0,0,0|2,0,0]=4 1456 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000210202 [0,2,0,0,0,0|1,0,0]=3 1457 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100000210202 [0,2,0,0,0,0|1,0,0]=3 1458 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000210202 [0,2,0,0,0,0|1,0,0]=3 1459 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000210202 [0,2,0,0,0,0|1,0,0]=3 1460 B15R1.625 CCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000210202 [0,2,0,0,0,0|1,0,0]=3 1461 B15R1.625 CNCC(CC(=O)O)c1ccc(cc1)Cl 269956a_100000693554_200000210301 [0,2,0,0,0,0|0,0,0]=2 1462 B15R1.625 CNCC(CC(=O)O)c1ccc(cc1)F 269956a_100020682740_200000210301 [0,2,0,0,0,0|0,0,0]=2 1463 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000766300 [0,2,0,0,0,0|2,0,0]=4 1464 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000766300 [0,2,0,0,0,0|2,0,0]=4 1465 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000766300 [0,2,0,0,0,0|2,0,0]=4 1466 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000766300 [0,2,0,0,0,0|2,0,0]=4 1467 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100011218213 [0,2,0,0,0,0|2,0,0]=4 1468 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011218213 [0,2,0,0,0,0|2,0,0]=4 1469 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100011218213 [0,2,0,0,0,0|2,0,0]=4 1470 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100011218213 [0,2,0,0,0,0|2,0,0]=4 1471 B15R1.625 Cc1ccc(cc1)C(CC(=O)O)NCF 269956a_100000183803_100015361967 [0,2,0,0,0,0|1,0,0]=3 1472 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100011215382 [0,2,0,0,0,0|1,0,1]=4 1473 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011215382 [0,2,0,0,0,0|1,0,1]=4 1474 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100011215382 [0,2,0,0,0,0|1,0,1]=4 1475 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100011215382 [0,2,0,0,0,0|1,0,1]=4 1476 B15R1.625 O=C(O)CC(NCF)c1ccc(cc1)Br 269956a_100000230149_100015361967 [0,2,0,0,0,0|1,0,0]=3 1477 B15R1.625 O=C(O)CC(NCF)c1ccc(cc1)F 269956a_100000183810_100015361967 [0,2,0,0,0,0|1,0,0]=3 1478 B15R1.625 O=C(O)CC(NCF)c1ccc(cc1)O 269956a_100000023953_100015361967 [0,2,0,0,0,0|1,0,0]=3 1479 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)Br 269956a_100000756367_100011217306 [0,2,0,0,0,0|2,0,0]=4 1480 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)Cl 269956a_100000741738_100011217306 [0,2,0,0,0,0|2,0,0]=4 1481 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)F 269956a_100011202419_100011217306 [0,2,0,0,0,0|2,0,0]=4 1482 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)I 269956a_200011249329_100011217306 [0,2,0,0,0,0|2,0,0]=4 1483 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)Br 269956a_100000756367_100000211926 [0,2,0,0,0,0|2,0,0]=4 1484 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)Cl 269956a_100000741738_100000211926 [0,2,0,0,0,0|2,0,0]=4 1485 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)F 269956a_100011202419_100000211926 [0,2,0,0,0,0|2,0,0]=4 1486 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)I 269956a_200011249329_100000211926 [0,2,0,0,0,0|2,0,0]=4 1487 B15R1.625 O=C(O)C[C@@H](NCF)c1ccc(cc1)Cl 269956a_102495366484_100015361967 [0,2,0,0,0,0|1,0,0]=3 1488 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200015260668 [0,2,0,0,0,0|2,0,0]=4 1489 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200015260668 [0,2,0,0,0,0|2,0,0]=4 1490 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200015260668 [0,2,0,0,0,0|2,0,0]=4 1491 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200015260668 [0,2,0,0,0,0|2,0,0]=4 1492 B15R1.625 [13CH3]NCC(CC(=O)O)c1ccc(cc1)Cl 269956a_100000693554_200025704644 [0,2,0,0,0,0|0,0,0]=2 1493 B15R1.625 [13CH3]NCC(CC(=O)O)c1ccc(cc1)F 269956a_100020682740_200025704644 [0,2,0,0,0,0|0,0,0]=2 1494 B15R1.626 C#CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000184674 [0,2,0,0,0,0|2,0,0]=4 1495 B15R1.626 C#CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000184674 [0,2,0,0,0,0|2,0,0]=4 1496 B15R1.626 C=CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000210623 [0,2,0,0,0,0|2,0,0]=4 1497 B15R1.626 C=CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000210623 [0,2,0,0,0,0|2,0,0]=4 1498 B15R1.626 CCCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000210207 [0,2,0,0,0,0|2,0,0]=4 1499 B15R1.626 CCCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000210207 [0,2,0,0,0,0|2,0,0]=4 1500 B15R1.626 CCNC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_100000210202 [0,2,0,0,0,0|1,0,0]=3 1501 B15R1.626 CCNC(CC(=O)O)c1cccc(c1)C 269956a_100000737193_100000210202 [0,2,0,0,0,0|1,0,0]=3 1502 B15R1.626 CCNC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_100000210202 [0,2,0,0,0,0|1,0,0]=3 1503 B15R1.626 CCNC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_100000210202 [0,2,0,0,0,0|1,0,0]=3 1504 B15R1.626 COCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000766300 [0,2,0,0,0,0|2,0,0]=4 1505 B15R1.626 COCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000766300 [0,2,0,0,0,0|2,0,0]=4 1506 B15R1.626 CSCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100011218213 [0,2,0,0,0,0|2,0,0]=4 1507 B15R1.626 CSCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100011218213 [0,2,0,0,0,0|2,0,0]=4 1508 B15R1.626 Cc1cccc(c1)C(CC(=O)O)NCF 269956a_100000737193_100015361967 [0,2,0,0,0,0|1,0,0]=3 1509 B15R1.626 N#CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100011215382 [0,2,0,0,0,0|1,0,1]=4 1510 B15R1.626 N#CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100011215382 [0,2,0,0,0,0|1,0,1]=4 1511 B15R1.626 O=C(O)CC(NCF)c1cccc(c1)Br 269956a_100000183640_100015361967 [0,2,0,0,0,0|1,0,0]=3 1512 B15R1.626 O=C(O)CC(NCF)c1cccc(c1)Cl 269956a_100000744054_100015361967 [0,2,0,0,0,0|1,0,0]=3 1513 B15R1.626 O=C(O)CC(NCF)c1cccc(c1)F 269956a_100102946356_100015361967 [0,2,0,0,0,0|1,0,0]=3 1514 B15R1.626 O=C(O)CN(CCF)c1cccc(c1)Br 269956a_200011202421_100011217306 [0,2,0,0,0,0|2,0,0]=4 1515 B15R1.626 O=C(O)CN(CCF)c1cccc(c1)Cl 269956a_100000741870_100011217306 [0,2,0,0,0,0|2,0,0]=4 1516 B15R1.626 O=C(O)CN(CCO)c1cccc(c1)Br 269956a_200011202421_100000211926 [0,2,0,0,0,0|2,0,0]=4 1517 B15R1.626 O=C(O)CN(CCO)c1cccc(c1)Cl 269956a_100000741870_100000211926 [0,2,0,0,0,0|2,0,0]=4 1518 B15R1.626 O=CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200015260668 [0,2,0,0,0,0|2,0,0]=4 1519 B15R1.626 O=CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200015260668 [0,2,0,0,0,0|2,0,0]=4 1520 B15R1.635 C#CCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000184674 [0,2,0,0,0,0|2,0,0]=4 1521 B15R1.635 C=CCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210623 [0,2,0,0,0,0|2,0,0]=4 1522 B15R1.635 CC(C(=O)O)N(CC#N)c1ccccc1 269956a_100000189636_100011215382 [0,2,0,0,0,0|1,0,1]=4 1523 B15R1.635 CC(C(=O)O)N(CC=O)c1ccccc1 269956a_100000189636_200015260668 [0,2,0,0,0,0|2,0,0]=4 1524 B15R1.635 CC(C(=O)O)N(CCF)c1ccccc1 269956a_100000189636_100011217306 [0,2,0,0,0,0|2,0,0]=4 1525 B15R1.635 CC(C(=O)O)N(CCO)c1ccccc1 269956a_100000189636_100000211926 [0,2,0,0,0,0|2,0,0]=4 1526 B15R1.635 CCCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210207 [0,2,0,0,0,0|2,0,0]=4 1527 B15R1.635 COCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000766300 [0,2,0,0,0,0|2,0,0]=4 1528 B15R1.635 CSCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100011218213 [0,2,0,0,0,0|2,0,0]=4 1529 B15R1.3197 C#CC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_200000035995 [0,2,0,0,0,0|2,0,0]=4 1530 B15R1.3197 C=CC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100011215867 [0,2,0,0,0,0|2,0,0]=4 1531 B15R1.3197 CC(C#N)N(CC(=O)O)c1ccccc1 269956a_100000212060_100000184139 [0,2,0,0,0,0|1,0,1]=4 1532 B15R1.3197 CCC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100000758301 [0,2,0,0,0,0|2,0,0]=4 1533 B15R1.3197 COC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100009879195 [0,2,0,0,0,0|2,0,0]=4 1534 B15R1.3197 C[C@H](CO)N(CC(=O)O)c1ccccc1 269956a_100000212060_100016084084 [0,2,0,0,0,0|2,0,0]=4 1535 B15R1.4388 C#CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000038162 [0,2,0,0,0,0|2,0,0]=4 1536 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 2230a_100000211662_100000747449 [0,2,0,0,0,0|2,0,0]=4 1537 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210623 [0,2,0,0,0,0|2,0,0]=4 1538 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 269982a_100000211662_100000747449 [0,2,0,0,0,0|2,0,0]=4 1539 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000210623 [0,2,0,0,0,0|2,0,0]=4 1540 B15R1.4388 C=CCN(CC(=O)OC)c1ccccc1 34a_100000211662_100000747449 [0,2,0,0,0,0|2,0,0]=4 1541 B15R1.4388 CCCC(NC(=O)CO)c1ccccc1 240690a_100000189686_100000210174 [0,2,0,0,0,0|2,0,0]=4 1542 B15R1.4388 CCCC(NC(=O)CO)c1ccccc1 527a_100000189686_100000210174 [0,2,0,0,0,0|2,0,0]=4 1543 B15R1.4388 CCCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210303 [0,2,0,0,0,0|2,0,0]=4 1544 B15R1.4388 CCCN(CC(=O)OC)c1ccccc1 2230a_200011218496_100000747449 [0,2,0,0,0,0|2,0,0]=4 1545 B15R1.4388 CCCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000210303 [0,2,0,0,0,0|2,0,0]=4 1546 B15R1.4388 CCCN(CC(=O)OC)c1ccccc1 269982a_200011218496_100000747449 [0,2,0,0,0,0|2,0,0]=4 1547 B15R1.4388 CCCN(CC(=O)OC)c1ccccc1 34a_200011218496_100000747449 [0,2,0,0,0,0|2,0,0]=4 1548 B15R1.4388 COC(=O)CN(CC#N)c1ccccc1 2230a_100000757779_100011215382 [0,2,0,0,0,0|1,0,1]=4 1549 B15R1.4388 COC(=O)CN(CC#N)c1ccccc1 269982a_100000757779_100011214920 [0,2,0,0,0,0|1,0,1]=4 1550 B15R1.4388 COC(=O)CN(CC=O)c1ccccc1 2230a_100000757779_200015260668 [0,2,0,0,0,0|2,0,0]=4 1551 B15R1.4388 COC(=O)CN(CC=O)c1ccccc1 269982a_100000757779_200015260668 [0,2,0,0,0,0|2,0,0]=4 1552 B15R1.4388 COC(=O)CN(CCF)c1ccccc1 2230a_100000757779_100011217306 [0,2,0,0,0,0|2,0,0]=4 1553 B15R1.4388 COC(=O)CN(CCF)c1ccccc1 269982a_100000757779_100011217306 [0,2,0,0,0,0|2,0,0]=4 1554 B15R1.4388 COC(=O)CN(CCO)c1ccccc1 2230a_100000211345_100000747449 [0,2,0,0,0,0|2,0,0]=4 1555 B15R1.4388 COC(=O)CN(CCO)c1ccccc1 2230a_100000757779_100000211926 [0,2,0,0,0,0|2,0,0]=4 1556 B15R1.4388 COC(=O)CN(CCO)c1ccccc1 269982a_100000211345_100000747449 [0,2,0,0,0,0|2,0,0]=4 1557 B15R1.4388 COC(=O)CN(CCO)c1ccccc1 269982a_100000757779_100000211926 [0,2,0,0,0,0|2,0,0]=4 1558 B15R1.4388 COC(=O)CN(CCO)c1ccccc1 34a_100000211345_100000747449 [0,2,0,0,0,0|2,0,0]=4 1559 B15R1.4388 COC(=O)CN(CSC)c1ccccc1 2230a_100000757779_100011218213 [0,2,0,0,0,0|2,0,0]=4 1560 B15R1.4388 COC(=O)CN(CSC)c1ccccc1 269982a_100000757779_100011218213 [0,2,0,0,0,0|2,0,0]=4 1561 B15R1.4388 COCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000766300 [0,2,0,0,0,0|2,0,0]=4 1562 B15R1.4388 COCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000766300 [0,2,0,0,0,0|2,0,0]=4 1563 B15R1.4388 COC[C@@H](NC(=O)CO)c1ccccc1 240690a_103619048568_100000210174 [0,2,0,0,0,0|2,0,0]=4 1564 B15R1.4388 COC[C@@H](NC(=O)CO)c1ccccc1 527a_103619048568_100000210174 [0,2,0,0,0,0|2,0,0]=4 1565 B15R1.4388 O=C(CO)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100000210174 [0,2,0,0,0,0|2,0,0]=4 1566 B15R1.4388 O=C(CO)N[C@@H](CCO)c1ccccc1 527a_100025705951_100000210174 [0,2,0,0,0,0|2,0,0]=4 1567 B15R1.9083 C=C(C)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000748629 [0,2,0,0,0,0|2,0,0]=4 1568 B15R1.9083 C=C(F)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000042424 [0,2,0,0,0,0|2,0,0]=4 1569 B15R1.9083 CC(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200000210301 [0,2,0,0,0,0|1,0,1]=4 1570 B15R1.9083 CC(=O)NC(CN(C)C)c1ccccc1 11a_100000209865_100015343762 [0,2,0,0,0,0|2,0,0]=4 1571 B15R1.9083 CC(=O)NC(CN(C)C)c1ccccc1 1626a_100000209865_100015343762 [0,2,0,0,0,0|2,0,0]=4 1572 B15R1.9083 CC(=O)NC(CN(C)C)c1ccccc1 240690a_100000209865_100015343762 [0,2,0,0,0,0|2,0,0]=4 1573 B15R1.9083 CC(=O)NC(CN(C)C)c1ccccc1 527a_100000209865_100103153847 [0,2,0,0,0,0|2,0,0]=4 1574 B15R1.9083 CC(C)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210760 [0,2,0,0,0,0|2,0,0]=4 1575 B15R1.9083 CC(C)NC(CC(=O)O)c1cccnc1 269956a_100000239604_100000210206 [0,2,0,0,0,0|2,0,0]=4 1576 B15R1.9083 CC(C)N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210206 [0,2,0,0,0,0|1,0,0]=3 1577 B15R1.9083 CC(O)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100011218427 [0,2,0,0,0,0|2,0,0]=4 1578 B15R1.9083 C[C@@H](O)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100009817552 [0,2,0,0,0,0|2,0,0]=4 1579 B15R1.9083 NC(=O)CN(CC(=O)N)c1ccccc1 2230a_100000212578_100000747473 [0,2,0,0,0,0|2,0,0]=4 1580 B15R1.9083 NC(=O)CN(CC(=O)N)c1ccccc1 269982a_100000212578_100000187820 [0,2,0,0,0,0|2,0,0]=4 1581 B15R1.9083 NC(=O)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000187820 [0,2,0,0,0,0|1,0,0]=3 1582 B15R1.9083 NC(=O)CN(CC(=O)[O-])c1ccccc1 269982a_100000212578_100020667443 [0,2,0,0,0,0|1,0,1]=4 1583 B15R1.9083 O=C(O)CN(CC(F)F)c1ccccc1 269956a_100000212060_100011934356 [0,2,0,0,0,0|2,0,0]=4 1584 B15R1.9083 O=C(O)CN(C[N+](=O)[O-])c1ccccc1 269956a_100000212060_100000761209 [0,2,0,0,0,0|1,0,1]=4 1585 B15R1.9083 O=C([O-])CN(CC(=O)O)c1ccccc1 269956a_100000212060_100020667443 [0,2,0,0,0,0|2,0,0]=4 1586 B15R1.9083 [13CH3]C(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200025704644 [0,2,0,0,0,0|1,0,1]=4 1587 B15R1.9865 C#CCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000184674 [0,2,0,0,0,0|2,0,0]=4 1588 B15R1.9865 C#CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000184674 [0,2,0,0,0,0|2,0,0]=4 1589 B15R1.9865 C#CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000184674 [0,2,0,0,0,0|2,0,0]=4 1590 B15R1.9865 C=CCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000210623 [0,2,0,0,0,0|2,0,0]=4 1591 B15R1.9865 C=CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000210623 [0,2,0,0,0,0|2,0,0]=4 1592 B15R1.9865 C=CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000210623 [0,2,0,0,0,0|2,0,0]=4 1593 B15R1.9865 CCCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000210207 [0,2,0,0,0,0|2,0,0]=4 1594 B15R1.9865 CCCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000210207 [0,2,0,0,0,0|2,0,0]=4 1595 B15R1.9865 CCCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000210207 [0,2,0,0,0,0|2,0,0]=4 1596 B15R1.9865 CCNC(CC(=O)O)c1ccccc1Br 269956a_100011224113_100000210202 [0,2,0,0,0,0|1,0,0]=3 1597 B15R1.9865 CCNC(CC(=O)O)c1ccccc1C 269956a_100000751382_100000210202 [0,2,0,0,0,0|1,0,0]=3 1598 B15R1.9865 CCNC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_100000210202 [0,2,0,0,0,0|1,0,0]=3 1599 B15R1.9865 CCNC(CC(=O)O)c1ccccc1F 269956a_100000182082_100000210202 [0,2,0,0,0,0|1,0,0]=3 1600 B15R1.9865 COCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000766300 [0,2,0,0,0,0|2,0,0]=4 1601 B15R1.9865 COCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000766300 [0,2,0,0,0,0|2,0,0]=4 1602 B15R1.9865 COCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000766300 [0,2,0,0,0,0|2,0,0]=4 1603 B15R1.9865 CSCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100011218213 [0,2,0,0,0,0|2,0,0]=4 1604 B15R1.9865 CSCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100011218213 [0,2,0,0,0,0|2,0,0]=4 1605 B15R1.9865 CSCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100011218213 [0,2,0,0,0,0|2,0,0]=4 1606 B15R1.9865 Cc1ccccc1C(CC(=O)O)NCF 269956a_100000751382_100015361967 [0,2,0,0,0,0|1,0,0]=3 1607 B15R1.9865 Cc1ccccc1N(CC#N)CC(=O)O 269956a_200011202413_100011215382 [0,2,0,0,0,0|1,0,1]=4 1608 B15R1.9865 Cc1ccccc1N(CC=O)CC(=O)O 269956a_200011202413_200015260668 [0,2,0,0,0,0|2,0,0]=4 1609 B15R1.9865 Cc1ccccc1N(CCF)CC(=O)O 269956a_200011202413_100011217306 [0,2,0,0,0,0|2,0,0]=4 1610 B15R1.9865 Cc1ccccc1N(CCO)CC(=O)O 269956a_200011202413_100000211926 [0,2,0,0,0,0|2,0,0]=4 1611 B15R1.9865 N#CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100011215382 [0,2,0,0,0,0|1,0,1]=4 1612 B15R1.9865 N#CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100011215382 [0,2,0,0,0,0|1,0,1]=4 1613 B15R1.9865 O=C(O)CC(NCF)c1ccccc1Br 269956a_100011224113_100015361967 [0,2,0,0,0,0|1,0,0]=3 1614 B15R1.9865 O=C(O)CC(NCF)c1ccccc1Cl 269956a_100000182758_100015361967 [0,2,0,0,0,0|1,0,0]=3 1615 B15R1.9865 O=C(O)CC(NCF)c1ccccc1F 269956a_100000182082_100015361967 [0,2,0,0,0,0|1,0,0]=3 1616 B15R1.9865 O=C(O)CN(CCF)c1ccccc1Cl 269956a_100000742597_100011217306 [0,2,0,0,0,0|2,0,0]=4 1617 B15R1.9865 O=C(O)CN(CCF)c1ccccc1F 269956a_200011202418_100011217306 [0,2,0,0,0,0|2,0,0]=4 1618 B15R1.9865 O=C(O)CN(CCO)c1ccccc1Cl 269956a_100000742597_100000211926 [0,2,0,0,0,0|2,0,0]=4 1619 B15R1.9865 O=C(O)CN(CCO)c1ccccc1F 269956a_200011202418_100000211926 [0,2,0,0,0,0|2,0,0]=4 1620 B15R1.9865 O=CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200015260668 [0,2,0,0,0,0|2,0,0]=4 1621 B15R1.9865 O=CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_200015260668 [0,2,0,0,0,0|2,0,0]=4 1622 B15R1.2 CCN(CC(=O)O)c1ccc(cc1)C#N 269956a_100000743605_100000210202 [0,2,0,0,0,0|2,0,0]=4 1623 B15R1.2 CCN(CC(=O)O)c1ccc(cc1)OC 269956a_200011202415_100000210202 [0,2,0,0,0,0|2,0,0]=4 1624 B15R1.2 CCc1ccc(cc1)C(CC(=O)O)NC 269956a_200011224097_200000210301 [0,2,0,0,0,0|2,0,0]=4 1625 B15R1.2 CCc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_200011224097_200025704644 [0,2,0,0,0,0|2,0,0]=4 1626 B15R1.2 CNC(CC(=O)O)c1ccc(cc1)SC 269956a_200000239654_200000210301 [0,2,0,0,0,0|2,0,0]=4 1627 B15R1.2 CN[C@@H](CC(=O)O)c1ccc(cc1)OC 269956a_100000703991_200000210301 [0,2,0,0,0,0|2,0,0]=4 1628 B15R1.2 CN[C@H](CC(=O)O)c1ccc(cc1)C#N 269956a_100016193326_200000210301 [0,2,0,0,0,0|2,0,0]=4 1629 B15R1.2 COc1ccc(cc1)N(CF)CC(=O)O 269956a_200011202415_100015361967 [0,2,0,0,0,0|2,0,0]=4 1630 B15R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N[13CH3] 269956a_100000703991_200025704644 [0,2,0,0,0,0|2,0,0]=4 1631 B15R1.2 CSc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_200000239654_200025704644 [0,2,0,0,0,0|2,0,0]=4 1632 B15R1.2 N#Cc1ccc(cc1)N(CF)CC(=O)O 269956a_100000743605_100015361967 [0,2,0,0,0,0|2,0,0]=4 1633 B15R1.2 [13CH3]N[C@H](CC(=O)O)c1ccc(cc1)C#N 269956a_100016193326_200025704644 [0,2,0,0,0,0|2,0,0]=4 1634 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210206 [0,2,0,0,0,0|2,0,0]=4 1635 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210206 [0,2,0,0,0,0|2,0,0]=4 1636 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210206 [0,2,0,0,0,0|2,0,0]=4 1637 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210206 [0,2,0,0,0,0|2,0,0]=4 1638 B15R1.1353 CC(C(=O)O)N(CF)c1ccc(cc1)F 269956a_100011202447_100015361967 [0,2,0,0,0,0|2,0,0]=4 1639 B15R1.1353 CCN(c1ccc(cc1)F)C(C)C(=O)O 269956a_100011202447_100000210202 [0,2,0,0,0,0|2,0,0]=4 1640 B15R1.3128 CNC(CC(=O)O)c1ccc(c(c1)C)C 269956a_100011338279_200000210301 [0,2,0,0,0,0|2,0,0]=4 1641 B15R1.3128 CNC(CC(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100011224105_200000210301 [0,2,0,0,0,0|2,0,0]=4 1642 B15R1.3128 Cc1ccc(cc1C)C(CC(=O)O)N[13CH3] 269956a_100011338279_200025704644 [0,2,0,0,0,0|2,0,0]=4 1643 B15R1.3128 [13CH3]NC(CC(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100011224105_200025704644 [0,2,0,0,0,0|2,0,0]=4 1644 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)C 240690a_100000749201_100000210174 [0,2,0,0,0,0|2,0,0]=4 1645 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)C 527a_100000749201_100000210174 [0,2,0,0,0,0|2,0,0]=4 1646 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)F 240690a_100011191751_100000210174 [0,2,0,0,0,0|2,0,0]=4 1647 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)F 527a_100011191751_100000210174 [0,2,0,0,0,0|2,0,0]=4 1648 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)O 240690a_100015187210_100000210174 [0,2,0,0,0,0|2,0,0]=4 1649 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)O 527a_100015187210_100000210174 [0,2,0,0,0,0|2,0,0]=4 1650 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Br 2230a_100000219632_100000747449 [0,2,0,0,0,0|2,0,0]=4 1651 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Br 269982a_100000219632_100000747449 [0,2,0,0,0,0|2,0,0]=4 1652 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Br 34a_100000219632_100000747449 [0,2,0,0,0,0|2,0,0]=4 1653 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)C 2230a_100000219985_100000747449 [0,2,0,0,0,0|2,0,0]=4 1654 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)C 269982a_100000219985_100000747449 [0,2,0,0,0,0|2,0,0]=4 1655 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)C 34a_100000219985_100000747449 [0,2,0,0,0,0|2,0,0]=4 1656 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Cl 2230a_100000220165_100000747449 [0,2,0,0,0,0|2,0,0]=4 1657 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Cl 269982a_100000220165_100000747449 [0,2,0,0,0,0|2,0,0]=4 1658 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Cl 34a_100000220165_100000747449 [0,2,0,0,0,0|2,0,0]=4 1659 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)F 2230a_100102640331_100000747449 [0,2,0,0,0,0|2,0,0]=4 1660 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)F 269982a_100102640331_100000747449 [0,2,0,0,0,0|2,0,0]=4 1661 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)F 34a_100102640331_100000747449 [0,2,0,0,0,0|2,0,0]=4 1662 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)O 2230a_100011337800_100000747449 [0,2,0,0,0,0|2,0,0]=4 1663 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)O 269982a_100011337800_100000747449 [0,2,0,0,0,0|2,0,0]=4 1664 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)O 34a_100011337800_100000747449 [0,2,0,0,0,0|2,0,0]=4 1665 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Br 240690a_100025736560_100000210174 [0,2,0,0,0,0|2,0,0]=4 1666 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Br 527a_100025736560_100000210174 [0,2,0,0,0,0|2,0,0]=4 1667 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Cl 240690a_100015186824_100000210174 [0,2,0,0,0,0|2,0,0]=4 1668 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Cl 527a_100015186824_100000210174 [0,2,0,0,0,0|2,0,0]=4 1669 B15R1.3826 Cc1ccc(cc1)[C@H](CO)NC(=O)CO 240690a_100009818840_100000210174 [0,2,0,0,0,0|2,0,0]=4 1670 B15R1.3826 Cc1ccc(cc1)[C@H](CO)NC(=O)CO 527a_100009818840_100000210174 [0,2,0,0,0,0|2,0,0]=4 1671 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100000210174 [0,2,0,0,0,0|2,0,0]=4 1672 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)Br 527a_100000734186_100000210174 [0,2,0,0,0,0|2,0,0]=4 1673 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)F 240690a_100000705410_100000210174 [0,2,0,0,0,0|2,0,0]=4 1674 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)F 527a_100000705410_100000210174 [0,2,0,0,0,0|2,0,0]=4 1675 B15R1.3826 O=C(CO)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100000210174 [0,2,0,0,0,0|2,0,0]=4 1676 B15R1.3826 O=C(CO)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100000210174 [0,2,0,0,0,0|2,0,0]=4 1677 B15R1.14004 CNC(CC(=O)O)c1ccc(cc1Cl)Cl 269956a_200011224112_200000210301 [0,2,0,0,0,0|2,0,0]=4 1678 B15R1.14004 CNC(CC(=O)O)c1ccc(cc1F)F 269956a_100000759734_200000210301 [0,2,0,0,0,0|2,0,0]=4 1679 B15R1.14004 [13CH3]NC(CC(=O)O)c1ccc(cc1Cl)Cl 269956a_200011224112_200025704644 [0,2,0,0,0,0|2,0,0]=4 1680 B15R1.14004 [13CH3]NC(CC(=O)O)c1ccc(cc1F)F 269956a_100000759734_200025704644 [0,2,0,0,0,0|2,0,0]=4 1681 B15R1.62 CCN(CC(=O)O)c1cccc(c1)C#N 269956a_200000686249_100000210202 [0,2,0,0,0,0|2,0,0]=4 1682 B15R1.62 CNC(CC(=O)O)c1cccc(c1)OC 269956a_100000239633_200000210301 [0,2,0,0,0,0|2,0,0]=4 1683 B15R1.62 CN[C@H](CC(=O)O)c1cccc(c1)C#N 269956a_200015411631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1684 B15R1.62 COc1cccc(c1)C(CC(=O)O)N[13CH3] 269956a_100000239633_200025704644 [0,2,0,0,0,0|2,0,0]=4 1685 B15R1.62 N#Cc1cccc(c1)N(CF)CC(=O)O 269956a_200000686249_100015361967 [0,2,0,0,0,0|2,0,0]=4 1686 B15R1.62 [13CH3]N[C@H](CC(=O)O)c1cccc(c1)C#N 269956a_200015411631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1687 B15R1.1360 CN[C@H](CC(=O)O)c1cccc(c1Cl)Cl 269956a_200011420571_200000210301 [0,2,0,0,0,0|2,0,0]=4 1688 B15R1.1360 CN[C@H](CC(=O)O)c1cccc(c1F)F 269956a_100011900210_200000210301 [0,2,0,0,0,0|2,0,0]=4 1689 B15R1.1360 [13CH3]N[C@H](CC(=O)O)c1cccc(c1Cl)Cl 269956a_200011420571_200025704644 [0,2,0,0,0,0|2,0,0]=4 1690 B15R1.1360 [13CH3]N[C@H](CC(=O)O)c1cccc(c1F)F 269956a_100011900210_200025704644 [0,2,0,0,0,0|2,0,0]=4 1691 B15R1.3122 CNC(CC(=O)O)c1cc(cc(c1)C)C 269956a_200011519073_200000210301 [0,2,0,0,0,0|2,0,0]=4 1692 B15R1.3122 CNC(CC(=O)O)c1cc(cc(c1)Cl)Cl 269956a_100000699090_200000210301 [0,2,0,0,0,0|2,0,0]=4 1693 B15R1.3122 CN[C@@H](CC(=O)O)c1cc(cc(c1)F)F 269956a_200012352235_200000210301 [0,2,0,0,0,0|2,0,0]=4 1694 B15R1.3122 Cc1cc(cc(c1)C(CC(=O)O)N[13CH3])C 269956a_200011519073_200025704644 [0,2,0,0,0,0|2,0,0]=4 1695 B15R1.3122 [13CH3]NC(CC(=O)O)c1cc(cc(c1)Cl)Cl 269956a_100000699090_200025704644 [0,2,0,0,0,0|2,0,0]=4 1696 B15R1.3122 [13CH3]N[C@@H](CC(=O)O)c1cc(cc(c1)F)F 269956a_200012352235_200025704644 [0,2,0,0,0,0|2,0,0]=4 1697 B15R1.3827 CCC(NC(=O)CO)c1cccc(c1)Cl 240690a_100000737531_100000210174 [0,2,0,0,0,0|2,0,0]=4 1698 B15R1.3827 CCC(NC(=O)CO)c1cccc(c1)Cl 527a_100000737531_100000210174 [0,2,0,0,0,0|2,0,0]=4 1699 B15R1.3827 CCC(NC(=O)CO)c1cccc(c1)F 240690a_100159265421_100000210174 [0,2,0,0,0,0|2,0,0]=4 1700 B15R1.3827 CCC(NC(=O)CO)c1cccc(c1)F 527a_100159265421_100000210174 [0,2,0,0,0,0|2,0,0]=4 1701 B15R1.3827 CCC(NC(=O)CO)c1cccc(c1)O 240690a_100159312145_100000210174 [0,2,0,0,0,0|2,0,0]=4 1702 B15R1.3827 CCC(NC(=O)CO)c1cccc(c1)O 527a_100159312145_100000210174 [0,2,0,0,0,0|2,0,0]=4 1703 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)Br 2230a_100000738899_100000747449 [0,2,0,0,0,0|2,0,0]=4 1704 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)Br 269982a_100000738899_100000747449 [0,2,0,0,0,0|2,0,0]=4 1705 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)Br 34a_100000738899_100000747449 [0,2,0,0,0,0|2,0,0]=4 1706 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)C 2230a_100000182157_100000747449 [0,2,0,0,0,0|2,0,0]=4 1707 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)C 269982a_100000182157_100000747449 [0,2,0,0,0,0|2,0,0]=4 1708 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)C 34a_100000182157_100000747449 [0,2,0,0,0,0|2,0,0]=4 1709 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)C 7a_100000182157_100000747449 [0,2,0,0,0,0|2,0,0]=4 1710 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)O 2230a_100000717746_100000747449 [0,2,0,0,0,0|2,0,0]=4 1711 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)O 269982a_100000717746_100000747449 [0,2,0,0,0,0|2,0,0]=4 1712 B15R1.3827 CCN(CC(=O)OC)c1cccc(c1)O 34a_100000717746_100000747449 [0,2,0,0,0,0|2,0,0]=4 1713 B15R1.3827 CC[C@@H](NC(=O)CO)c1cccc(c1)C 240690a_200016991486_100000210174 [0,2,0,0,0,0|2,0,0]=4 1714 B15R1.3827 CC[C@@H](NC(=O)CO)c1cccc(c1)C 527a_200016991486_100000210174 [0,2,0,0,0,0|2,0,0]=4 1715 B15R1.3827 CC[C@H](NC(=O)CO)c1cccc(c1)Br 240690a_100102422761_100000210174 [0,2,0,0,0,0|2,0,0]=4 1716 B15R1.3827 CC[C@H](NC(=O)CO)c1cccc(c1)Br 527a_100102422761_100000210174 [0,2,0,0,0,0|2,0,0]=4 1717 B15R1.3827 Cc1cccc(c1)[C@@H](CO)NC(=O)CO 240690a_100009818812_100000210174 [0,2,0,0,0,0|2,0,0]=4 1718 B15R1.3827 Cc1cccc(c1)[C@@H](CO)NC(=O)CO 527a_100009818812_100000210174 [0,2,0,0,0,0|2,0,0]=4 1719 B15R1.3827 O=C(CO)NC(CO)c1cccc(c1)Br 240690a_100000690078_100000210174 [0,2,0,0,0,0|2,0,0]=4 1720 B15R1.3827 O=C(CO)NC(CO)c1cccc(c1)Br 527a_100000690078_100000210174 [0,2,0,0,0,0|2,0,0]=4 1721 B15R1.3827 O=C(CO)NC(CO)c1cccc(c1)O 240690a_100025717460_100000210174 [0,2,0,0,0,0|2,0,0]=4 1722 B15R1.3827 O=C(CO)NC(CO)c1cccc(c1)O 527a_100025717460_100000210174 [0,2,0,0,0,0|2,0,0]=4 1723 B15R1.3827 O=C(CO)N[C@@H](CO)c1cccc(c1)Cl 240690a_100032004910_100000210174 [0,2,0,0,0,0|2,0,0]=4 1724 B15R1.3827 O=C(CO)N[C@@H](CO)c1cccc(c1)Cl 527a_100032004910_100000210174 [0,2,0,0,0,0|2,0,0]=4 1725 B15R1.3827 O=C(CO)N[C@H](CO)c1cccc(c1)F 240690a_100020641251_100000210174 [0,2,0,0,0,0|2,0,0]=4 1726 B15R1.3827 O=C(CO)N[C@H](CO)c1cccc(c1)F 527a_100020641251_100000210174 [0,2,0,0,0,0|2,0,0]=4 1727 B15R1.8317 CC(C)N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000210206 [0,2,0,0,0,0|2,0,0]=4 1728 B15R1.8317 CC(C)N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000210206 [0,2,0,0,0,0|2,0,0]=4 1729 B15R1.1329 CCC(c1ccccc1)N(C)C(=O)CO 240690a_100000737544_100000210174 [0,2,0,0,0,0|2,0,0]=4 1730 B15R1.1329 CCC(c1ccccc1)N(C)C(=O)CO 527a_100000737544_100000210174 [0,2,0,0,0,0|2,0,0]=4 1731 B15R1.1329 CCN(c1ccccc1)C(C)C(=O)OC 2230a_100000210013_100000211248 [0,2,0,0,0,0|2,0,0]=4 1732 B15R1.1329 CCN(c1ccccc1)C(C)C(=O)OC 269982a_100000210013_100000211248 [0,2,0,0,0,0|2,0,0]=4 1733 B15R1.1329 CCN(c1ccccc1)C(C)C(=O)OC 34a_100000210013_100000211248 [0,2,0,0,0,0|2,0,0]=4 1734 B15R1.1351 CCC(C(=O)O)N(CC)c1ccccc1 269956a_100000749434_100000210202 [0,2,0,0,0,0|2,0,0]=4 1735 B15R1.1351 CCC(C(=O)O)N(CF)c1ccccc1 269956a_100000749434_100015361967 [0,2,0,0,0,0|2,0,0]=4 1736 B15R1.31796 CC(C)N(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210206 [0,2,0,0,0,0|2,0,0]=4 1737 B15R1.1257 C#CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000184674 [0,2,0,0,0,0|2,0,0]=4 1738 B15R1.1257 C=CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210623 [0,2,0,0,0,0|2,0,0]=4 1739 B15R1.1257 C=COC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000036128 [0,2,0,0,0,0|2,0,0]=4 1740 B15R1.1257 C=COC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000036128 [0,2,0,0,0,0|2,0,0]=4 1741 B15R1.1257 C=COC(=O)CN(CC)c1ccccc1 34a_100000210013_100000036128 [0,2,0,0,0,0|2,0,0]=4 1742 B15R1.1257 CCC(NC(=O)CCO)c1ccccc1 240690a_100000737752_100011216618 [0,2,0,0,0,0|2,0,0]=4 1743 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 11a_100000737752_100000210968 [0,2,0,0,0,0|2,0,0]=4 1744 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 1626a_100000737752_100000210968 [0,2,0,0,0,0|2,0,0]=4 1745 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 240690a_100000737752_100000210968 [0,2,0,0,0,0|2,0,0]=4 1746 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 527a_100000737752_100000210968 [0,2,0,0,0,0|2,0,0]=4 1747 B15R1.1257 CCCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210303 [0,2,0,0,0,0|2,0,0]=4 1748 B15R1.1257 CCN(CC(=O)NCO)c1ccccc1 2230a_100000210013_100000185155 [0,2,0,0,0,0|2,0,0]=4 1749 B15R1.1257 CCN(CC(=O)NCO)c1ccccc1 269982a_100000210013_100000185155 [0,2,0,0,0,0|2,0,0]=4 1750 B15R1.1257 CCN(CC(=O)NCO)c1ccccc1 34a_100000210013_100000185155 [0,2,0,0,0,0|2,0,0]=4 1751 B15R1.1257 CCNC(=O)CC(CO)c1ccccc1 240690a_100015525214_106726389045 [0,2,0,0,0,0|2,0,0]=4 1752 B15R1.1257 CCOC(=O)CC(OC)c1ccccc1 7a_100000756809_200000210301 [0,2,0,0,0,0|2,0,0]=4 1753 B15R1.1257 CCOC(=O)CC(O[13CH3])c1ccccc1 7a_100000756809_200025704644 [0,2,0,0,0,0|2,0,0]=4 1754 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000188475 [0,2,0,0,0,0|2,0,0]=4 1755 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000219562_100000210202 [0,2,0,0,0,0|2,0,0]=4 1756 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000188475 [0,2,0,0,0,0|2,0,0]=4 1757 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000219562_100000204670 [0,2,0,0,0,0|2,0,0]=4 1758 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 34a_100000210013_100000188475 [0,2,0,0,0,0|2,0,0]=4 1759 B15R1.1257 CCOC(=O)CN(CF)c1ccccc1 269982a_100000219562_100015361967 [0,2,0,0,0,0|2,0,0]=4 1760 B15R1.1257 CNNC(=O)CC(CO)c1ccccc1 22a_100016993582_106726389045 [0,2,0,0,0,0|2,0,0]=4 1761 B15R1.1257 COCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210968 [0,2,0,0,0,0|2,0,0]=4 1762 B15R1.1257 COCC(=O)N[C@H](CO)c1ccccc1 34a_100138415774_200013032810 [0,2,0,0,0,0|2,0,0]=4 1763 B15R1.1257 COCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000210968 [0,2,0,0,0,0|2,0,0]=4 1764 B15R1.1257 N#CC(CC(=O)CCO)c1ccccc1 1458a_200000079825_100000211926 [0,2,0,0,0,0|0,0,2]=4 1765 B15R1.1257 N#CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100011214920 [0,2,0,0,0,0|2,0,0]=4 1766 B15R1.1257 O=C(CCF)CC(CO)c1ccccc1 1458a_106726389045_100011217306 [0,2,0,0,0,0|2,0,0]=4 1767 B15R1.1257 O=C(CCO)CC(CO)c1ccccc1 1458a_106726389045_100000211926 [0,2,0,0,0,0|1,0,0]=3 1768 B15R1.1257 O=C(CCO)N[C@H](CO)c1ccccc1 240690a_100000751927_100011216618 [0,2,0,0,0,0|2,0,0]=4 1769 B15R1.11817 CC(C)[C@H](NC(=O)CO)c1ccccc1 240690a_100015186014_100000210174 [0,2,0,0,0,0|2,0,0]=4 1770 B15R1.11817 CC(C)[C@H](NC(=O)CO)c1ccccc1 527a_100015186014_100000210174 [0,2,0,0,0,0|2,0,0]=4 1771 B15R1.11817 COC(=O)CN(c1ccccc1)C(C)C 2230a_100000210572_100000747449 [0,2,0,0,0,0|2,0,0]=4 1772 B15R1.11817 COC(=O)CN(c1ccccc1)C(C)C 2230a_100000757779_100000210206 [0,2,0,0,0,0|2,0,0]=4 1773 B15R1.11817 COC(=O)CN(c1ccccc1)C(C)C 269982a_100000210572_100000747449 [0,2,0,0,0,0|2,0,0]=4 1774 B15R1.11817 COC(=O)CN(c1ccccc1)C(C)C 269982a_100000757779_100000210206 [0,2,0,0,0,0|2,0,0]=4 1775 B15R1.11817 COC(=O)CN(c1ccccc1)C(C)C 34a_100000210572_100000747449 [0,2,0,0,0,0|2,0,0]=4 1776 B15R1.11817 COC(=O)CN(c1ccccc1)C(C)C 7a_100000210572_100000747449 [0,2,0,0,0,0|2,0,0]=4 1777 B15R1.11817 C[C@H](O)[C@@H](NC(=O)CO)c1ccccc1 240690a_100134616770_100000210174 [0,2,0,0,0,0|2,0,0]=4 1778 B15R1.11817 C[C@H](O)[C@@H](NC(=O)CO)c1ccccc1 527a_100134616770_100000210174 [0,2,0,0,0,0|2,0,0]=4 1779 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 240690a_100011423151_100000210174 [0,2,0,0,0,0|1,0,1]=4 1780 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 527a_100011423151_100000210174 [0,2,0,0,0,0|1,0,1]=4 1781 B15R1.22295 CCN(CC(=O)OC)c1ccccc1Br 2230a_114873767003_100000747449 [0,2,0,0,0,0|2,0,0]=4 1782 B15R1.22295 CCN(CC(=O)OC)c1ccccc1Br 269982a_114873767003_100000747449 [0,2,0,0,0,0|2,0,0]=4 1783 B15R1.22295 CCN(CC(=O)OC)c1ccccc1Br 34a_114873767003_100000747449 [0,2,0,0,0,0|2,0,0]=4 1784 B15R1.22295 CCN(CC(=O)OC)c1ccccc1C 2230a_100000211084_100000747449 [0,2,0,0,0,0|2,0,0]=4 1785 B15R1.22295 CCN(CC(=O)OC)c1ccccc1C 269982a_100000211084_100000747449 [0,2,0,0,0,0|2,0,0]=4 1786 B15R1.22295 CCN(CC(=O)OC)c1ccccc1C 34a_100000211084_100000747449 [0,2,0,0,0,0|2,0,0]=4 1787 B15R1.22295 CCN(CC(=O)OC)c1ccccc1F 2230a_100000220365_100000747449 [0,2,0,0,0,0|2,0,0]=4 1788 B15R1.22295 CCN(CC(=O)OC)c1ccccc1F 269982a_100000220365_100000747449 [0,2,0,0,0,0|2,0,0]=4 1789 B15R1.22295 CCN(CC(=O)OC)c1ccccc1F 34a_100000220365_100000747449 [0,2,0,0,0,0|2,0,0]=4 1790 B15R1.22295 CCN(CC(=O)OC)c1ccccc1O 269982a_103624766699_100000747449 [0,2,0,0,0,0|2,0,0]=4 1791 B15R1.22295 CC[C@H](NC(=O)CO)c1ccccc1Cl 240690a_200016987949_100000210174 [0,2,0,0,0,0|2,0,0]=4 1792 B15R1.22295 CC[C@H](NC(=O)CO)c1ccccc1Cl 527a_200016987949_100000210174 [0,2,0,0,0,0|2,0,0]=4 1793 B15R1.22295 CC[C@H](NC(=O)CO)c1ccccc1F 240690a_100015190424_100000210174 [0,2,0,0,0,0|2,0,0]=4 1794 B15R1.22295 CC[C@H](NC(=O)CO)c1ccccc1F 527a_100015190424_100000210174 [0,2,0,0,0,0|2,0,0]=4 1795 B15R1.22295 O=C(CO)NC(CO)c1ccccc1Cl 240690a_100138412506_100000210174 [0,2,0,0,0,0|2,0,0]=4 1796 B15R1.22295 O=C(CO)NC(CO)c1ccccc1Cl 527a_100138412506_100000210174 [0,2,0,0,0,0|2,0,0]=4 1797 B15R1.22295 O=C(CO)N[C@@H](CO)c1ccccc1F 240690a_100009818778_100000210174 [0,2,0,0,0,0|2,0,0]=4 1798 B15R1.22295 O=C(CO)N[C@@H](CO)c1ccccc1F 527a_100009818778_100000210174 [0,2,0,0,0,0|2,0,0]=4 1799 B15R1.22295 O=C(CO)N[C@H](CO)c1ccccc1Br 240690a_100161155918_100000210174 [0,2,0,0,0,0|2,0,0]=4 1800 B15R1.22295 O=C(CO)N[C@H](CO)c1ccccc1Br 527a_100161155918_100000210174 [0,2,0,0,0,0|2,0,0]=4 1801 B15R1.349 CC(C)N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000210206 [0,2,0,0,0,0|2,0,0]=4 1802 B15R1.349 CC(C)N(CC(=O)O)c1ccccc1F 269956a_200011202418_100000210206 [0,2,0,0,0,0|2,0,0]=4 1803 B15R1.349 Cc1ccccc1N(CC(=O)O)C(C)C 269956a_200011202413_100000210206 [0,2,0,0,0,0|2,0,0]=4 1804 B15R1.9085 CC(C)(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100000211941 [0,2,0,0,0,0|2,0,0]=4 1805 B15R1.9085 O=C(O)CN(c1ccccc1)C(F)(F)F 269956a_100000212060_200000243211 [0,2,0,0,0,0|2,0,0]=4 1806 B15R1.1116 CCN(CC(=O)O)c1ccccc1OC 269956a_100000744073_100000210202 [0,2,0,0,0,0|2,0,0]=4 1807 B15R1.1116 CCc1ccccc1N(CC)CC(=O)O 269956a_200011244167_100000210202 [0,2,0,0,0,0|2,0,0]=4 1808 B15R1.1116 CCc1ccccc1N(CF)CC(=O)O 269956a_200011244167_100015361967 [0,2,0,0,0,0|2,0,0]=4 1809 B15R1.1116 CN[C@@H](CC(=O)O)c1ccccc1OC 269956a_200011420527_200000210301 [0,2,0,0,0,0|2,0,0]=4 1810 B15R1.1116 COc1ccccc1N(CF)CC(=O)O 269956a_100000744073_100015361967 [0,2,0,0,0,0|2,0,0]=4 1811 B15R1.1116 COc1ccccc1[C@H](CC(=O)O)N[13CH3] 269956a_200011420527_200025704644 [0,2,0,0,0,0|2,0,0]=4 1812 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [1,0,0,1,0,0|2,0,0]=4 1813 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [1,0,0,1,0,0|2,0,0]=4 1814 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [1,0,0,1,0,0|2,0,0]=4 1815 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [1,0,0,1,0,0|2,0,0]=4 1816 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [1,0,0,1,0,0|2,0,0]=4 1817 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [1,0,0,1,0,0|2,0,0]=4 1818 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [1,0,0,1,0,0|2,0,0]=4 1819 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [1,0,0,1,0,0|1,0,0]=3 1820 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [1,0,0,1,0,0|2,0,0]=4 1821 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [1,0,0,1,0,0|1,0,0]=3 1822 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,1,0|2,0,0]=4 1823 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,1,0|2,0,0]=4 1824 B13R2.439 CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_200000210301 [0,0,0,1,1,0|2,0,0]=4 1825 B13R2.439 [13CH3]C(=O)C1(CC1)c2ccccc2 1458a_100000211650_200025704644 [0,0,0,1,1,0|2,0,0]=4 1826 B15R2.6 CC(=O)NCC1CCc2c1cccc2 11a_100020632452_100015343762 [0,0,0,1,0,1|2,0,0]=4 1827 B15R2.6 CC(=O)NCC1CCc2c1cccc2 1626a_100020632452_100015343762 [0,0,0,1,0,1|2,0,0]=4 1828 B15R2.6 CC(=O)NCC1CCc2c1cccc2 240690a_100020632452_100015343762 [0,0,0,1,0,1|2,0,0]=4 1829 B15R2.6 CC(=O)NCC1CCc2c1cccc2 527a_100020632452_100103153847 [0,0,0,1,0,1|2,0,0]=4 1830 B15R2.6 NC(=O)CNC1CCc2c1cccc2 2230a_100000711301_200000721974 [0,0,0,1,0,1|2,0,0]=4 1831 B15R2.6 NC(=O)CNC1COc2c1cccc2 2230a_100000747519_100000747473 [0,0,0,1,0,1|2,0,0]=4 1832 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000747473 [0,0,0,1,0,1|2,0,0]=4 1833 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000187820 [0,0,0,1,0,1|2,0,0]=4 1834 B15R2.6 NC(=O)COC1CCc2c1cccc2 34a_100000212247_100000187820 [0,0,0,1,0,1|2,0,0]=4 1835 B15R2.6 NC(=O)COC1CCc2c1cccc2 7a_100000212247_100000187820 [0,0,0,1,0,1|2,0,0]=4 1836 B15R2.6 NC(=O)CSC1CCc2c1cccc2 62a_100000747473_200000721974 [0,0,0,1,0,1|2,0,0]=4 1837 B15R2.6 O=C(O)CNC1CCc2c1cccc2 269956a_100016091260_200000721974 [0,0,0,1,0,1|1,0,0]=3 1838 B15R2.6 O=C([O-])CN[C@H]1CCc2c1cccc2 34a_100016989578_100020667443 [0,0,0,1,0,1|1,0,1]=4 1839 B15R2.6 O=C([O-])COC1CCc2c1cccc2 34a_100000212247_100020667443 [0,0,0,1,0,1|1,0,1]=4 1840 B15R2.6 O=C([O-])CSC1CCc2c1cccc2 62a_100020667443_200000721974 [0,0,0,1,0,1|1,0,1]=4 1841 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 11a_100000747531_100015343762 [0,0,0,1,0,1|2,0,0]=4 1842 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 1626a_100000747531_100015343762 [0,0,0,1,0,1|2,0,0]=4 1843 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 240690a_100000747531_100015343762 [0,0,0,1,0,1|2,0,0]=4 1844 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 527a_100000747531_100103153847 [0,0,0,1,0,1|2,0,0]=4 1845 B15R2.1223 NC(=O)CN1CCC1c2ccccc2 2230a_100000739605_100000747473 [0,0,0,1,0,1|2,0,0]=4 1846 B15R2.1223 NC(=O)CN1CCC1c2ccccc2 269982a_100000739605_100000187820 [0,0,0,1,0,1|2,0,0]=4 1847 B15R2.1223 O=C([O-])CN1CCC1c2ccccc2 269982a_100000739605_100020667443 [0,0,0,1,0,1|1,0,1]=4 1848 B15R2.1327 NCC(OCC1CO1)c2ccccc2 34a_100000210709_102125554688 [0,0,0,1,0,1|1,0,1]=4 1849 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 11a_100000242008_100015343762 [0,0,0,1,0,1|2,0,0]=4 1850 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 1626a_100000242008_100015343762 [0,0,0,1,0,1|2,0,0]=4 1851 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 240690a_100000242008_100015343762 [0,0,0,1,0,1|2,0,0]=4 1852 B15R2.7691 CC(=O)NCC1(CC1)c2ccccc2 527a_100000242008_100103153847 [0,0,0,1,0,1|2,0,0]=4 1853 B15R2.7691 NC(=O)CNC1(CC1)c2ccccc2 2230a_100000749958_100000747473 [0,0,0,1,0,1|2,0,0]=4 1854 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 2230a_100000131268_100015291786 [0,0,0,1,0,1|2,0,0]=4 1855 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 270004a_100000131268_100015611070 [0,0,0,1,0,1|2,0,0]=4 1856 B15R2.1241 O=C(O)C1CCN1Cc2ccccc2 269956a_100000021838_100015291786 [0,0,0,1,0,1|2,0,0]=4 1857 B15R2.1668 CC(=O)CC1COc2ccccc2O1 1458a_100000070787_100011215957 [0,0,0,1,0,1|2,0,0]=4 1858 B15R2.16429 O=C(O)CN(c1ccccc1)C2CC2 269956a_100000212060_100000211595 [0,1,0,1,0,0|2,0,0]=4 1859 B15R2.68122 CC(=O)CC1OCCc2c1cccc2 1458a_100000751863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1860 B15R2.68122 [13CH3]C(=O)CC1OCCc2c1cccc2 1458a_100000751863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1861 B15R2.377 CC(=O)CC1COc2c1ccc(c2)O 1458a_100009846009_200000210301 [0,1,0,1,0,0|2,0,0]=4 1862 B15R2.377 [13CH3]C(=O)CC1COc2c1ccc(c2)O 1458a_100009846009_200025704644 [0,1,0,1,0,0|2,0,0]=4 1863 B15R2.9410 CC(=O)CC1CCc2c1cc(cc2)F 1458a_200009856706_200000210301 [0,1,0,1,0,0|2,0,0]=4 1864 B15R2.9410 [13CH3]C(=O)CC1CCc2c1cc(cc2)F 1458a_200009856706_200025704644 [0,1,0,1,0,0|2,0,0]=4 1865 B15R2.4 CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000210202 [0,1,0,1,0,0|2,0,0]=4 1866 B15R2.4 CNC(=O)CC1CCc2c1cccc2 11a_106832991635_100000756587 [0,1,0,1,0,0|2,0,0]=4 1867 B15R2.4 CNC(=O)CC1CCc2c1cccc2 1626a_100102657272_100000756587 [0,1,0,1,0,0|2,0,0]=4 1868 B15R2.4 CNC(=O)CC1CCc2c1cccc2 240690a_100102657272_100000756587 [0,1,0,1,0,0|2,0,0]=4 1869 B15R2.4 CNC(=O)CC1CCc2c1cccc2 527a_100102657272_100000756587 [0,1,0,1,0,0|2,0,0]=4 1870 B15R2.4 O=C(CF)CC1CCc2c1cccc2 1458a_100000756587_100015361967 [0,1,0,1,0,0|2,0,0]=4 1871 B15R2.4 O=C(CO)NC1COc2c1cccc2 240690a_100000747519_100000210174 [0,1,0,1,0,0|2,0,0]=4 1872 B15R2.4 O=C(CO)NC1COc2c1cccc2 527a_100000747519_100000210174 [0,1,0,1,0,0|2,0,0]=4 1873 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210174 [0,1,0,1,0,0|2,0,0]=4 1874 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210174 [0,1,0,1,0,0|2,0,0]=4 1875 B15R2.1600 O=C(CO)N1CCC1c2ccccc2 240690a_100000739605_100000210174 [0,1,0,1,0,0|2,0,0]=4 1876 B15R2.1600 O=C(CO)N1CCC1c2ccccc2 527a_100000739605_100000210174 [0,1,0,1,0,0|2,0,0]=4 1877 B15R2.4347 O=C(CO)NC1(CC1)c2ccccc2 240690a_100000749958_100000210174 [0,1,0,1,0,0|2,0,0]=4 1878 B15R2.4347 O=C(CO)NC1(CC1)c2ccccc2 527a_100000749958_100000210174 [0,1,0,1,0,0|2,0,0]=4 1879 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,1,0|1,0,0]=3 1880 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,0,0,0,1,0|2,0,0]=4 1881 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,1,0|2,0,0]=4 1882 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,0,0,0,1,0|2,0,0]=4 1883 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,0,0,0,1,0|2,0,0]=4 1884 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,0,0,0,1,0|2,0,0]=4 1885 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,1,0|1,0,0]=3 1886 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,1,0|2,0,0]=4 1887 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,0,0,0,1,0|2,0,0]=4 1888 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,1,0|1,0,0]=3 1889 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,1,0|2,0,0]=4 1890 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,1,0|2,0,0]=4 1891 B13R1.79 CCN(CC=O)Cc1ccccc1 2230a_100000186914_200015260668 [1,0,0,0,0,1|2,0,0]=4 1892 B13R1.79 CCN(CC=O)Cc1ccccc1 269982a_100000186914_200015260668 [1,0,0,0,0,1|2,0,0]=4 1893 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [1,0,0,0,0,1|2,0,0]=4 1894 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [1,0,0,0,0,1|2,0,0]=4 1895 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [1,0,0,0,0,1|2,0,0]=4 1896 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [1,0,0,0,0,1|2,0,0]=4 1897 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [1,0,0,0,0,1|2,0,0]=4 1898 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [1,0,0,0,0,1|2,0,0]=4 1899 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [1,0,0,0,0,1|2,0,0]=4 1900 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [1,0,0,0,0,1|2,0,0]=4 1901 B13R1.45 C=C(F)CN[C@H](C)c1ccccc1 2230a_100000751104_100009893438 [1,0,0,0,0,1|2,0,0]=4 1902 B13R1.45 C=C(F)COC(C)c1ccccc1 34a_200010262243_100000211855 [1,0,0,0,0,1|2,0,0]=4 1903 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 34a_100000761318_100009893438 [1,0,0,0,0,1|2,0,0]=4 1904 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 7a_100000761318_100000042424 [1,0,0,0,0,1|2,0,0]=4 1905 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000042424_100000230085 [1,0,0,0,0,1|2,0,0]=4 1906 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000230085_100000042424 [1,0,0,0,0,1|2,0,0]=4 1907 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [1,0,0,0,0,1|2,0,0]=4 1908 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [1,0,0,0,0,1|2,0,0]=4 1909 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [1,0,0,0,0,1|1,0,0]=3 1910 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [1,0,0,0,0,1|1,0,0]=3 1911 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [1,0,0,0,0,1|1,0,0]=3 1912 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [1,0,0,0,0,1|1,0,0]=3 1913 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [1,0,0,0,0,1|1,0,0]=3 1914 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [1,0,0,0,0,1|2,0,0]=4 1915 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [1,0,0,0,0,1|2,0,0]=4 1916 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [1,0,0,0,0,1|2,0,0]=4 1917 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [1,0,0,0,0,1|2,0,0]=4 1918 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [1,0,0,0,0,1|1,0,0]=3 1919 B13R1.45 CC(NCC(=O)N)c1ccccn1 2230a_100000181244_100000747473 [1,0,0,0,0,1|2,0,0]=4 1920 B13R1.45 CC(NCC(=O)N)c1cccnc1 2230a_100000195435_100000747473 [1,0,0,0,0,1|2,0,0]=4 1921 B13R1.45 CC(NCC(=O)N)c1ccncc1 2230a_100000181269_100000747473 [1,0,0,0,0,1|2,0,0]=4 1922 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [1,0,0,0,0,1|0,0,0]=2 1923 B13R1.45 CC(NCC(=O)O)c1cnccn1 269956a_100016091260_200000703233 [1,0,0,0,0,1|2,0,0]=4 1924 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [1,0,0,0,0,1|1,0,1]=4 1925 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [1,0,0,0,0,1|1,0,1]=4 1926 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [1,0,0,0,0,1|1,0,1]=4 1927 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [1,0,0,0,0,1|1,0,1]=4 1928 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [1,0,0,0,0,1|1,0,1]=4 1929 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [1,0,0,0,0,1|1,0,1]=4 1930 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [1,0,0,0,0,1|1,0,1]=4 1931 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [1,0,0,0,0,1|1,0,1]=4 1932 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [1,0,0,0,0,1|1,0,0]=3 1933 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [1,0,0,0,0,1|1,0,0]=3 1934 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [1,0,0,0,0,1|0,0,1]=3 1935 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [1,0,0,0,0,1|0,0,1]=3 1936 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [1,0,0,0,0,1|1,0,1]=4 1937 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [1,0,0,0,0,1|1,0,1]=4 1938 B13R1.45 CC(SC[N+](=O)[O-])c1ccccc1 62a_100000230085_100000761209 [1,0,0,0,0,1|1,0,1]=4 1939 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [1,0,0,0,0,1|2,0,0]=4 1940 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [1,0,0,0,0,1|2,0,0]=4 1941 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [1,0,0,0,0,1|2,0,0]=4 1942 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [1,0,0,0,0,1|1,0,0]=3 1943 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [1,0,0,0,0,1|1,0,1]=4 1944 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [1,0,0,0,0,1|1,0,1]=4 1945 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [1,0,0,0,0,1|1,0,1]=4 1946 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [1,0,0,0,0,1|1,0,0]=3 1947 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [1,0,0,0,0,1|1,0,0]=3 1948 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [1,0,0,0,0,1|0,0,1]=3 1949 B13R1.45 C[C@@H](OC[N+](=O)[O-])c1ccccc1 34a_100000761318_100000761209 [1,0,0,0,0,1|1,0,1]=4 1950 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [1,0,0,0,0,1|2,0,0]=4 1951 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [1,0,0,0,0,1|2,0,0]=4 1952 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [1,0,0,0,0,1|2,0,0]=4 1953 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [1,0,0,0,0,1|2,0,0]=4 1954 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [1,0,0,0,0,1|2,0,0]=4 1955 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [1,0,0,0,0,1|2,0,0]=4 1956 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [1,0,0,0,0,1|2,0,0]=4 1957 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [1,0,0,0,0,1|1,0,0]=3 1958 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [1,0,0,0,0,1|1,0,0]=3 1959 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [1,0,0,0,0,1|2,0,0]=4 1960 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [1,0,0,0,0,1|2,0,0]=4 1961 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [1,0,0,0,0,1|2,0,0]=4 1962 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [1,0,0,0,0,1|2,0,0]=4 1963 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [1,0,0,0,0,1|1,0,1]=4 1964 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [1,0,0,0,0,1|1,0,0]=3 1965 B13R1.413 NCC(OCC(=O)N)c1ccco1 34a_100000738650_100000187820 [0,0,0,0,1,1|2,0,0]=4 1966 B13R1.413 NCC(OCC(=O)N)c1ccsc1 34a_100000758718_100000187820 [0,0,0,0,1,1|2,0,0]=4 1967 B13R1.413 NCC(OCC(=O)[O-])c1ccco1 34a_100000738650_100020667443 [0,0,0,0,1,1|1,0,1]=4 1968 B13R1.413 NCC(OCC(=O)[O-])c1ccsc1 34a_100000758718_100020667443 [0,0,0,0,1,1|1,0,1]=4 1969 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,0,0,0,1,1|2,0,0]=4 1970 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,0,0,0,1,1|2,0,0]=4 1971 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,0,0,0,1,1|2,0,0]=4 1972 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,0,0,0,1,1|2,0,0]=4 1973 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,0,0,0,1,1|2,0,0]=4 1974 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,0,0,0,1,1|2,0,0]=4 1975 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,0,0,0,1,1|2,0,0]=4 1976 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,0,0,0,1,1|2,0,0]=4 1977 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,0,0,0,1,1|2,0,0]=4 1978 B15R1.4008 C=C(C)COC(CN)Cc1ccccc1 34a_100000752270_100000748629 [0,0,0,0,0,2|2,0,0]=4 1979 B15R1.4008 C=C(F)COC(CN)Cc1ccccc1 34a_100000752270_100009893438 [0,0,0,0,0,2|2,0,0]=4 1980 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 240690a_100160572655_100015343762 [0,0,0,0,0,2|2,0,0]=4 1981 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 527a_100160572655_100103153847 [0,0,0,0,0,2|2,0,0]=4 1982 B15R1.4008 CC(O)COC(CN)Cc1ccccc1 34a_100000752270_100011218427 [0,0,0,0,0,2|1,0,1]=4 1983 B15R1.4008 CCC(Cc1ccccc1)OCC(=O)N 7a_100000760156_100000187820 [0,0,0,0,0,2|2,0,0]=4 1984 B15R1.4008 C[C@@H](O)COC(CN)Cc1ccccc1 34a_100000752270_100009817552 [0,0,0,0,0,2|1,0,1]=4 1985 B15R1.4008 N#CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_100000183401 [0,0,0,0,0,2|0,0,2]=4 1986 B15R1.4008 NC(=O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000747473 [0,0,0,0,0,2|2,0,0]=4 1987 B15R1.4008 NC(=O)CO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000187820 [0,0,0,0,0,2|2,0,0]=4 1988 B15R1.4008 NCC(Cc1ccccc1)OCC(=O)N 34a_100000752270_100000187820 [0,0,0,0,0,2|1,0,0]=3 1989 B15R1.4008 NCC(Cc1ccccc1)OCC(=O)[O-] 34a_100000752270_100020667443 [0,0,0,0,0,2|0,0,1]=3 1990 B15R1.4008 NCC(Cc1ccccc1)OC[N+](=O)[O-] 34a_100000752270_100000761209 [0,0,0,0,0,2|1,0,1]=4 1991 B15R1.5331 C=C(C)CCOC(CN)c1ccccc1 34a_100000210709_100000730704 [0,0,0,0,0,2|2,0,0]=4 1992 B15R1.5331 C=CC(NOCC(=O)O)c1ccccc1 269956a_100000106656_200000085779 [0,0,0,0,0,2|1,0,1]=4 1993 B15R1.5331 CC(=CCOC(CN)c1ccccc1)C 34a_100000210709_100000761012 [0,0,0,0,0,2|2,0,0]=4 1994 B15R1.5331 CC(=O)CCOC(CBr)c1ccccc1 7a_100000185958_100000053229 [0,0,0,0,0,2|2,0,0]=4 1995 B15R1.5331 CC(=O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000053229 [0,0,0,0,0,2|2,0,0]=4 1996 B15R1.5331 CC(=O)OCN[C@H](CO)c1ccccc1 34a_100000751927_100009813279 [0,0,0,0,0,2|2,0,0]=4 1997 B15R1.5331 CC(=O)OCOC(CN)c1ccccc1 34a_100000210709_100009813279 [0,0,0,0,0,2|1,0,0]=3 1998 B15R1.5331 CC(=O)OCO[C@H](CCl)c1ccccc1 34a_100011933945_100009813279 [0,0,0,0,0,2|2,0,0]=4 1999 B15R1.5331 CC(O)CCOC(CN)c1ccccc1 34a_100000210709_100012276601 [0,0,0,0,0,2|1,0,1]=4 2000 B15R1.5331 CCC(COCC(=O)N)c1ccccc1 34a_100000752371_100000187820 [0,0,0,0,0,2|2,0,0]=4 2001 B15R1.5331 CCC(COCC(=O)N)c1ccccc1 7a_100000752371_100000187820 [0,0,0,0,0,2|2,0,0]=4 2002 B15R1.5331 CCC(COCC(=O)[O-])c1ccccc1 34a_100000752371_100020667443 [0,0,0,0,0,2|1,0,1]=4 2003 B15R1.5331 CCC(NCCC(=O)N)c1ccccc1 2230a_100000737752_100000744528 [0,0,0,0,0,2|2,0,0]=4 2004 B15R1.5331 CCC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000210124 [0,0,0,0,0,2|2,0,0]=4 2005 B15R1.5331 CCC(OCCC(=O)C)c1ccccc1 7a_100000698172_100000053229 [0,0,0,0,0,2|2,0,0]=4 2006 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 34a_100000698172_100000731001 [0,0,0,0,0,2|2,0,0]=4 2007 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 7a_100000698172_100000744528 [0,0,0,0,0,2|2,0,0]=4 2008 B15R1.5331 CCC(OCOC(=O)C)c1ccccc1 34a_100000698172_100009813279 [0,0,0,0,0,2|2,0,0]=4 2009 B15R1.5331 NC(=O)CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000744528 [0,0,0,0,0,2|2,0,0]=4 2010 B15R1.5331 NC(=O)CCN[C@H](CO)c1ccccc1 34a_100000751927_100000731001 [0,0,0,0,0,2|2,0,0]=4 2011 B15R1.5331 NC(=O)CCOC(CBr)c1ccccc1 7a_100000185958_100000744528 [0,0,0,0,0,2|2,0,0]=4 2012 B15R1.5331 NC(=O)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000731001 [0,0,0,0,0,2|2,0,0]=4 2013 B15R1.5331 NC(=O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000744528 [0,0,0,0,0,2|2,0,0]=4 2014 B15R1.5331 NCC(OCCC(=O)N)c1ccccc1 34a_100000210709_100000731001 [0,0,0,0,0,2|1,0,0]=3 2015 B15R1.5336 CCN(CCc1ccccc1)CC(=O)O 269956a_100000746405_100000765856 [0,0,0,0,0,2|2,0,0]=4 2016 B15R1.5336 CCN(CSc1ccccc1)CC(=O)O 269956a_100000746405_100011218342 [0,0,0,0,0,2|2,0,0]=4 2017 B15R1.5336 CC[C@H](CC(=O)O)NCc1ccccc1 269956a_100016995926_100015291786 [0,0,0,0,0,2|1,0,0]=3 2018 B15R1.5336 CC[C@H](CC(=O)O)NCc1ccccn1 269956a_100016995926_100000721315 [0,0,0,0,0,2|2,0,0]=4 2019 B15R1.5336 CC[C@H](CC(=O)O)NCc1cccnc1 269956a_100016995926_100000733263 [0,0,0,0,0,2|2,0,0]=4 2020 B15R1.5336 CC[C@H](CC(=O)O)NCc1ccncc1 269956a_100016995926_100015193705 [0,0,0,0,0,2|2,0,0]=4 2021 B15R1.5336 O=C(O)C[C@@H](CO)NCc1ccccc1 269956a_100009816507_100015291786 [0,0,0,0,0,2|1,0,0]=3 2022 B15R1.5336 O=C(O)C[C@@H](CO)NCc1ccccn1 269956a_100009816507_100000721315 [0,0,0,0,0,2|2,0,0]=4 2023 B15R1.5336 O=C(O)C[C@@H](CO)NCc1cccnc1 269956a_100009816507_100000733263 [0,0,0,0,0,2|2,0,0]=4 2024 B15R1.5336 O=C(O)C[C@@H](CO)NCc1ccncc1 269956a_100009816507_100015193705 [0,0,0,0,0,2|2,0,0]=4