0 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 2230a_100102631434_100000188848 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 269982a_100102631434_100000188848 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [1,0,0,0,0,0|1,0,1]=3 31 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [1,0,0,0,0,0|3,0,0]=4 38 B14R1.2984 C#CC(=O)C(C(=O)C)c1ccccc1 1458a_100000211873_100009888967 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.2984 C#CC(=O)C(C(=O)N)c1ccccc1 1458a_100000211873_100000188848 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.2984 C=CC(=O)C(C(=O)C)c1ccccc1 1458a_100000185746_100009888967 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.2984 C=CC(=O)C(C(=O)N)c1ccccc1 1458a_100000185746_100000188848 [0,1,0,0,0,0|2,0,0]=3 42 B14R1.2984 CC(=O)C(C(=O)CO)c1ccccc1 1458a_100000210174_100009888967 [0,1,0,0,0,0|1,0,0]=2 43 B14R1.2984 CCC(=O)C(C(=O)C)c1ccccc1 1458a_100000210414_100009888967 [0,1,0,0,0,0|2,0,0]=3 44 B14R1.2984 CCC(=O)C(C(=O)N)c1ccccc1 1458a_100000210414_100000188848 [0,1,0,0,0,0|2,0,0]=3 45 B14R1.2984 COC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100000754950 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.2984 COC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100000754950 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.2984 COC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100000754950 [0,1,0,0,0,0|3,0,0]=4 48 B14R1.2984 NC(=O)C(C(=O)CO)c1ccccc1 1458a_100000210174_100000188848 [0,1,0,0,0,0|1,0,0]=2 49 B14R2.277 Cc1onc(c1c2ccccc2)O 271570a_100011218836_100010730664 [0,0,0,1,0,0|2,0,1]=4 50 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000210371_100000041952 [0,0,0,0,0,1|2,0,0]=3 51 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000719477_100000210371 [0,0,0,0,0,1|2,0,0]=3 52 B14R1.4513 CC(=O)C(Sc1ccccn1)C(=O)C 62a_100000210371_100011216584 [0,0,0,0,0,1|3,0,0]=4 53 B14R1.4513 CC(=O)C(Sc1ccccn1)C(=O)C 62a_100011216584_100000210371 [0,0,0,0,0,1|3,0,0]=4 54 B14R1.4513 CC(=O)C(Sc1cccnc1)C(=O)C 62a_100000210063_100000210371 [0,0,0,0,0,1|3,0,0]=4 55 B14R1.4513 CC(=O)C(Sc1cccnc1)C(=O)C 62a_100000210371_100000210063 [0,0,0,0,0,1|3,0,0]=4 56 B14R1.4513 CC(=O)C(Sc1ccncc1)C(=O)C 62a_100000210371_100000728582 [0,0,0,0,0,1|3,0,0]=4 57 B14R1.4513 CC(=O)C(Sc1ccncc1)C(=O)C 62a_100000728582_100000210371 [0,0,0,0,0,1|3,0,0]=4 58 B14R1.4513 O=C(O)C(=Cc1cncnc1)C(=O)O 6a_100000749868_100000189509 [0,0,0,0,0,1|2,0,1]=4 59 B14R1.6455 CC(=O)CN(C(=O)C)c1ccccc1 1458a_100000188139_200000210301 [0,0,0,0,0,1|3,0,0]=4 60 B14R1.6455 CC(=O)N(CC(=O)N)c1ccccc1 11a_100000212578_100015343762 [0,0,0,0,0,1|3,0,0]=4 61 B14R1.6455 CC(=O)N(CC(=O)N)c1ccccc1 1626a_100000212578_100015343762 [0,0,0,0,0,1|3,0,0]=4 62 B14R1.6455 CC(=O)N(CC(=O)[13CH3])c1ccccc1 1458a_100000188139_200025704644 [0,0,0,0,0,1|3,0,0]=4 63 B14R1.6455 CC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195599_200000210301 [0,0,0,0,0,1|2,0,0]=3 64 B14R1.6455 CC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195599_200025704644 [0,0,0,0,0,1|2,0,0]=3 65 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100015343762 [0,0,0,0,0,1|2,0,0]=3 66 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100015343762 [0,0,0,0,0,1|2,0,0]=3 67 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100015343762 [0,0,0,0,0,1|2,0,0]=3 68 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100103153847 [0,0,0,0,0,1|2,0,0]=3 69 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 11a_100134616770_100015343762 [0,0,0,0,0,1|2,0,1]=4 70 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 240690a_100134616770_100015343762 [0,0,0,0,0,1|2,0,1]=4 71 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 527a_100134616770_100103153847 [0,0,0,0,0,1|2,0,1]=4 72 B14R1.6455 CC(=O)O[C@@H](C(=O)C)c1ccccc1 1458a_100016990227_200000210301 [0,0,0,0,0,1|2,0,0]=3 73 B14R1.6455 CC(=O)O[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100016990227_200025704644 [0,0,0,0,0,1|2,0,0]=3 74 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000210206 [0,0,0,0,0,1|2,0,1]=4 75 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [2,0,0,0,0,0|1,0,1]=4 78 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [2,0,0,0,0,0|1,0,0]=3 81 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [2,0,0,0,0,0|1,0,1]=4 82 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [2,0,0,0,0,0|1,0,0]=3 84 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [1,1,0,0,0,0|1,0,1]=4 85 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [1,1,0,0,0,0|1,0,1]=4 86 B13R1.405 O=C(O)C(NCF)c1ccccc1 269956a_100000230147_100015361967 [1,1,0,0,0,0|1,0,1]=4 87 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [1,1,0,0,0,0|1,0,1]=4 89 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [1,1,0,0,0,0|1,0,1]=4 90 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.532 O=C(CF)C(CO)c1ccccc1 1458a_100011218805_100015361967 [1,1,0,0,0,0|1,0,1]=4 101 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.716 CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200000210301 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.716 CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200000210301 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.716 CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200000210301 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200025704644 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200025704644 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200025704644 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.720 CNC(C(=O)O)c1ccccc1Br 269956a_100000744630_200000210301 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.720 CNC(C(=O)O)c1ccccc1C 269956a_100011223803_200000210301 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.720 CNC(C(=O)O)c1ccccc1F 269956a_100138411467_200000210301 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.720 CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200000210301 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.720 Cc1ccccc1C(N[13CH3])C(=O)O 269956a_100011223803_200025704644 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1Br 269956a_100000744630_200025704644 [1,1,0,0,0,0|2,0,0]=4 123 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1F 269956a_100138411467_200025704644 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.720 [13CH3]N[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200025704644 [1,1,0,0,0,0|2,0,0]=4 125 B15R1.4686 CNC(=O)C(Oc1ccccc1)C(=O)C 7a_100000210340_100000210987 [0,1,0,0,0,1|2,0,0]=4 126 B15R1.4686 CNC(=O)C(Sc1ccccc1)C(=O)C 62a_100000210987_100000041952 [0,1,0,0,0,1|2,0,0]=4 127 B15R1.4686 CNC(=O)C(Sc1ccccc1)C(=O)C 62a_100000719477_100000210987 [0,1,0,0,0,1|2,0,0]=4 128 B15R1.4686 COC(=O)C(Cc1ccccc1)C(=O)C 1458a_100000070787_100000764117 [0,1,0,0,0,1|1,0,0]=3 129 B15R1.4686 COC(=O)C(Sc1ccccc1)C(=O)C 62a_100000719477_100011215331 [0,1,0,0,0,1|1,0,0]=3 130 B15R1.4686 COC(=O)C(Sc1ccccc1)C(=O)C 62a_100011215331_100000041952 [0,1,0,0,0,1|1,0,0]=3 131 B15R1.4686 COC(=O)C(Sc1ccccn1)C(=O)C 62a_100011215331_100011216584 [0,1,0,0,0,1|2,0,0]=4 132 B15R1.4686 COC(=O)C(Sc1ccccn1)C(=O)C 62a_100011216584_100011215331 [0,1,0,0,0,1|2,0,0]=4 133 B15R1.4686 COC(=O)C(Sc1cccnc1)C(=O)C 62a_100000210063_100011215331 [0,1,0,0,0,1|2,0,0]=4 134 B15R1.4686 COC(=O)C(Sc1cccnc1)C(=O)C 62a_100011215331_100000210063 [0,1,0,0,0,1|2,0,0]=4 135 B15R1.4686 COC(=O)C(Sc1ccncc1)C(=O)C 62a_100000728582_100011215331 [0,1,0,0,0,1|2,0,0]=4 136 B15R1.4686 COC(=O)C(Sc1ccncc1)C(=O)C 62a_100011215331_100000728582 [0,1,0,0,0,1|2,0,0]=4 137 B15R1.5732 CC(=O)C(Cc1cccc(c1)Cl)C(=O)C 1458a_100000070787_200009990483 [0,1,0,0,0,1|2,0,0]=4 138 B15R1.5732 CC(=O)C(Sc1cccc(c1)Br)C(=O)C 62a_100000210371_100000691529 [0,1,0,0,0,1|2,0,0]=4 139 B15R1.5732 CC(=O)C(Sc1cccc(c1)Br)C(=O)C 62a_100000691529_100000210371 [0,1,0,0,0,1|2,0,0]=4 140 B15R1.5732 CC(=O)C(Sc1cccc(c1)C)C(=O)C 62a_100000210371_100011215228 [0,1,0,0,0,1|2,0,0]=4 141 B15R1.5732 CC(=O)C(Sc1cccc(c1)C)C(=O)C 62a_100011215228_100000210371 [0,1,0,0,0,1|2,0,0]=4 142 B15R1.5732 CC(=O)C(Sc1cccc(c1)Cl)C(=O)C 62a_100000210371_100000699651 [0,1,0,0,0,1|2,0,0]=4 143 B15R1.5732 CC(=O)C(Sc1cccc(c1)Cl)C(=O)C 62a_100000699651_100000210371 [0,1,0,0,0,1|2,0,0]=4 144 B15R1.5732 CC(=O)C(Sc1cccc(c1)F)C(=O)C 62a_100000210371_100000685547 [0,1,0,0,0,1|2,0,0]=4 145 B15R1.5732 CC(=O)C(Sc1cccc(c1)F)C(=O)C 62a_100000685547_100000210371 [0,1,0,0,0,1|2,0,0]=4 146 B15R1.5732 CC(=O)C(Sc1cccc(c1)N)C(=O)C 62a_100000210019_100000210371 [0,1,0,0,0,1|2,0,0]=4 147 B15R1.5732 CC(=O)C(Sc1cccc(c1)N)C(=O)C 62a_100000210371_100000210019 [0,1,0,0,0,1|2,0,0]=4 148 B15R1.5732 CC(=O)C(Sc1cccc(c1)O)C(=O)C 62a_100000210371_100000211634 [0,1,0,0,0,1|2,0,0]=4 149 B15R1.5732 CC(=O)C(Sc1cccc(c1)[S])C(=O)C 62a_100000210371_114929384022 [0,1,0,0,0,1|2,0,0]=4 150 B15R1.5732 CC(=O)C(Sc1cccc(c1)[S])C(=O)C 62a_114929384022_100000210371 [0,1,0,0,0,1|2,0,0]=4 151 B15R1.5732 Cc1cncc(c1)C=C(C(=O)O)C(=O)O 6a_100011998712_100000189509 [0,1,0,0,0,1|1,0,1]=4 152 B15R1.5732 O=C(O)C(=Cc1cccc(c1)Br)C(=O)O 6a_100000210085_100000189509 [0,1,0,0,0,1|0,0,1]=3 153 B15R1.5732 O=C(O)C(=Cc1cccc(c1)F)C(=O)O 6a_100000210812_100000189509 [0,1,0,0,0,1|0,0,1]=3 154 B15R1.5732 O=C(O)C(=Cc1cccc(c1)I)C(=O)O 6a_100000014684_100000189509 [0,1,0,0,0,1|0,0,1]=3 155 B15R1.5732 O=C(O)C(=Cc1cncc(c1)Br)C(=O)O 6a_100000687066_100000189509 [0,1,0,0,0,1|1,0,1]=4 156 B15R1.5732 O=C(O)C(=Cc1cncc(c1)Cl)C(=O)O 6a_100000088910_100000189509 [0,1,0,0,0,1|1,0,1]=4 157 B15R1.5732 O=C(O)C(=Cc1cncc(c1)F)C(=O)O 6a_100011361476_100000189509 [0,1,0,0,0,1|1,0,1]=4 158 B15R1.8148 CC(=O)C(Sc1ccccc1Br)C(=O)C 62a_100000210371_100000695589 [0,1,0,0,0,1|2,0,0]=4 159 B15R1.8148 CC(=O)C(Sc1ccccc1Br)C(=O)C 62a_100000695589_100000210371 [0,1,0,0,0,1|2,0,0]=4 160 B15R1.8148 CC(=O)C(Sc1ccccc1C)C(=O)C 62a_100000210371_100000210755 [0,1,0,0,0,1|2,0,0]=4 161 B15R1.8148 CC(=O)C(Sc1ccccc1C)C(=O)C 62a_100000210755_100000210371 [0,1,0,0,0,1|2,0,0]=4 162 B15R1.8148 CC(=O)C(Sc1ccccc1Cl)C(=O)C 62a_100000210371_100000764095 [0,1,0,0,0,1|2,0,0]=4 163 B15R1.8148 CC(=O)C(Sc1ccccc1Cl)C(=O)C 62a_100000764095_100000210371 [0,1,0,0,0,1|2,0,0]=4 164 B15R1.8148 CC(=O)C(Sc1ccccc1F)C(=O)C 62a_100000210371_100011215700 [0,1,0,0,0,1|2,0,0]=4 165 B15R1.8148 CC(=O)C(Sc1ccccc1F)C(=O)C 62a_100011215700_100000210371 [0,1,0,0,0,1|2,0,0]=4 166 B15R1.8148 CC(=O)C(Sc1ccccc1N)C(=O)C 62a_100000210017_100000210371 [0,1,0,0,0,1|2,0,0]=4 167 B15R1.8148 CC(=O)C(Sc1ccccc1N)C(=O)C 62a_100000210371_100000210017 [0,1,0,0,0,1|2,0,0]=4 168 B15R1.8148 CC(=O)C(Sc1ccccc1O)C(=O)C 62a_100000210371_100000739446 [0,1,0,0,0,1|2,0,0]=4 169 B15R1.8148 CC(=O)C(Sc1ccccc1O)C(=O)C 62a_100000739446_100000210371 [0,1,0,0,0,1|2,0,0]=4 170 B15R1.11335 CC(=O)C(Cc1ccc(cc1)Cl)C(=O)C 1458a_100000070787_200009990494 [0,1,0,0,0,1|2,0,0]=4 171 B15R1.11335 CC(=O)C(Sc1ccc(cc1)Br)C(=O)C 62a_100000210371_100000752885 [0,1,0,0,0,1|2,0,0]=4 172 B15R1.11335 CC(=O)C(Sc1ccc(cc1)Br)C(=O)C 62a_100000752885_100000210371 [0,1,0,0,0,1|2,0,0]=4 173 B15R1.11335 CC(=O)C(Sc1ccc(cc1)C)C(=O)C 62a_100000186775_100000210371 [0,1,0,0,0,1|2,0,0]=4 174 B15R1.11335 CC(=O)C(Sc1ccc(cc1)C)C(=O)C 62a_100000210371_100000186775 [0,1,0,0,0,1|2,0,0]=4 175 B15R1.11335 CC(=O)C(Sc1ccc(cc1)Cl)C(=O)C 62a_100000210371_100000755918 [0,1,0,0,0,1|2,0,0]=4 176 B15R1.11335 CC(=O)C(Sc1ccc(cc1)Cl)C(=O)C 62a_100000755918_100000210371 [0,1,0,0,0,1|2,0,0]=4 177 B15R1.11335 CC(=O)C(Sc1ccc(cc1)F)C(=O)C 62a_100000210371_100000211213 [0,1,0,0,0,1|2,0,0]=4 178 B15R1.11335 CC(=O)C(Sc1ccc(cc1)F)C(=O)C 62a_100000211213_100000210371 [0,1,0,0,0,1|2,0,0]=4 179 B15R1.11335 CC(=O)C(Sc1ccc(cc1)N)C(=O)C 62a_100000185761_100000210371 [0,1,0,0,0,1|2,0,0]=4 180 B15R1.11335 CC(=O)C(Sc1ccc(cc1)N)C(=O)C 62a_100000210371_100000185761 [0,1,0,0,0,1|2,0,0]=4 181 B15R1.11335 CC(=O)C(Sc1ccc(cc1)O)C(=O)C 62a_100000210371_100000185759 [0,1,0,0,0,1|2,0,0]=4 182 B15R1.11335 O=C(O)C(=Cc1ccc(cc1)Br)C(=O)O 6a_100000186029_100000189509 [0,1,0,0,0,1|0,0,1]=3 183 B15R1.11335 O=C(O)C(=Cc1ccc(cc1)F)C(=O)O 6a_100000210084_100000189509 [0,1,0,0,0,1|0,0,1]=3 184 B15R1.11335 O=C(O)C(=Cc1ccc(cc1)I)C(=O)O 6a_100000188517_100000189509 [0,1,0,0,0,1|0,0,1]=3 185 B15R1.11335 O=C(O)C(=Cc1ccc(cn1)Br)C(=O)O 6a_100000754260_100000189509 [0,1,0,0,0,1|1,0,1]=4 186 B15R1.11335 O=C(O)C(=Cc1ccc(cn1)F)C(=O)O 6a_100011934744_100000189509 [0,1,0,0,0,1|1,0,1]=4 187 B15R1.3197 CC(=O)NC(C(=O)CF)c1ccccc1 1458a_100000195599_100015361967 [0,1,0,0,0,1|2,0,0]=4 188 B15R1.3197 CC(=O)O[C@@H](C(=O)CF)c1ccccc1 1458a_100016990227_100015361967 [0,1,0,0,0,1|2,0,0]=4 189 B15R1.3197 CCC(=O)C(NC(=O)C)c1ccccc1 1458a_100000195599_100000210202 [0,1,0,0,0,1|2,0,0]=4 190 B15R1.3197 CCC(=O)[C@H](OC(=O)C)c1ccccc1 1458a_100016990227_100000210202 [0,1,0,0,0,1|2,0,0]=4 191 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 11a_100000741928_100015343762 [0,1,0,0,0,1|2,0,0]=4 192 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 11a_106832991635_100000195599 [0,1,0,0,0,1|2,0,0]=4 193 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 1626a_100000741928_100015343762 [0,1,0,0,0,1|2,0,0]=4 194 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 1626a_100102657272_100000195599 [0,1,0,0,0,1|2,0,0]=4 195 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 240690a_100000741928_100015343762 [0,1,0,0,0,1|2,0,0]=4 196 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 240690a_100102657272_100000195599 [0,1,0,0,0,1|2,0,0]=4 197 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 527a_100000741928_100103153847 [0,1,0,0,0,1|2,0,0]=4 198 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 527a_100102657272_100000195599 [0,1,0,0,0,1|2,0,0]=4 199 B15R1.3197 CNC(=O)[C@H](OC(=O)C)c1ccccc1 11a_106832991635_100016990227 [0,1,0,0,0,1|2,0,0]=4 200 B15R1.3197 CNC(=O)[C@H](OC(=O)C)c1ccccc1 1626a_100102657272_100016990227 [0,1,0,0,0,1|2,0,0]=4 201 B15R1.3197 CNC(=O)[C@H](OC(=O)C)c1ccccc1 527a_100102657272_100016990227 [0,1,0,0,0,1|2,0,0]=4 202 B15R1.3197 COC(=O)C(NC(=O)C)c1ccncc1 188690a_200020587145_100015343762 [0,1,0,0,0,1|2,0,0]=4 203 B15R1.3197 COC(=O)[C@H](NC(=O)C)c1ccccc1 188690a_100016988206_100015343762 [0,1,0,0,0,1|1,0,0]=3 204 B15R1.11817 C=CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100000185746 [0,1,0,0,0,1|2,0,0]=4 205 B15R1.11817 C=CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_200121576911 [0,1,0,0,0,1|2,0,0]=4 206 B15R1.11817 CCC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195601_200000210301 [0,1,0,0,0,1|2,0,0]=4 207 B15R1.11817 CCC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195601_200025704644 [0,1,0,0,0,1|2,0,0]=4 208 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100000210414 [0,1,0,0,0,1|2,0,0]=4 209 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100000210414 [0,1,0,0,0,1|2,0,0]=4 210 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100000210414 [0,1,0,0,0,1|2,0,0]=4 211 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100000210414 [0,1,0,0,0,1|2,0,0]=4 212 B15R1.11817 CNC(=O)N[C@@H](C(=O)N)c1ccccc1 2708a_100102657272_100011423151 [0,1,0,0,0,1|2,0,0]=4 213 B15R1.11817 CNC(=O)N[C@@H](C(=O)N)c1ccccc1 273464a_100102657272_100011423151 [0,1,0,0,0,1|2,0,0]=4 214 B15R1.11817 CNC(=O)N[C@@H](C(=O)N)c1ccccc1 512a_106832991638_100011423151 [0,1,0,0,0,1|2,0,0]=4 215 B15R1.11817 COC(=O)CN(C(=O)C)c1ccccc1 11a_100000757779_100015343762 [0,1,0,0,0,1|2,0,0]=4 216 B15R1.11817 COC(=O)CN(C(=O)C)c1ccccc1 1626a_100000757779_100015343762 [0,1,0,0,0,1|2,0,0]=4 217 B15R1.11817 COC(=O)N[C@@H](C(=O)C)c1ccccc1 1458a_100011418172_200000210301 [0,1,0,0,0,1|1,0,0]=3 218 B15R1.11817 COC(=O)N[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100011418172_200025704644 [0,1,0,0,0,1|1,0,0]=3 219 B15R1.11817 COC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100009879195 [0,1,0,0,0,1|1,0,1]=4 220 B15R1.11817 C[C@H](CO)NC(C(=O)O)c1ccccc1 269956a_100000230147_100016084084 [0,1,0,0,0,1|1,0,1]=4 221 B15R1.11817 C[C@H](O)[C@@H](NC(=O)CO)c1ccccc1 240690a_100134616770_100000210174 [0,1,0,0,0,1|1,0,1]=4 222 B15R1.11817 C[C@H](O)[C@@H](NC(=O)CO)c1ccccc1 527a_100134616770_100000210174 [0,1,0,0,0,1|1,0,1]=4 223 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 240690a_100011423151_100000210174 [0,1,0,0,0,1|1,0,0]=3 224 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 527a_100011423151_100000210174 [0,1,0,0,0,1|1,0,0]=3 225 B15R1.3203 COC(=O)C(C(=O)C)c1ccccc1Cl 1458a_100000070787_100000240054 [0,2,0,0,0,0|1,0,0]=3 226 B15R1.3193 COC(=O)C(C(=O)C)c1ccc(cc1)Cl 1458a_100000070787_100012355605 [0,2,0,0,0,0|1,0,0]=3 227 B15R1.3193 COC(=O)C(C(=O)C)c1ccc(cc1)F 1458a_100000070787_100000239261 [0,2,0,0,0,0|1,0,0]=3 228 B15R1.3201 C#CC(=O)C(C(=O)OC)c1ccccc1 1458a_100000211873_100000754950 [0,2,0,0,0,0|1,0,0]=3 229 B15R1.3201 C=CC(=O)C(C(=O)OC)c1ccccc1 1458a_100000185746_100000754950 [0,2,0,0,0,0|1,0,0]=3 230 B15R1.3201 CCC(=O)C(C(=O)OC)c1ccccc1 1458a_100000210414_100000754950 [0,2,0,0,0,0|1,0,0]=3 231 B15R1.3201 COC(=O)C(C(=O)CO)c1ccccc1 1458a_100000210174_100000754950 [0,2,0,0,0,0|0,0,0]=2 232 B15R1.9922 C#CCC(=O)C(C(=O)C)c1ccccc1 1458a_100011220946_100009888967 [0,2,0,0,0,0|2,0,0]=4 233 B15R1.9922 C#CCC(=O)C(C(=O)N)c1ccccc1 1458a_100011220946_100000188848 [0,2,0,0,0,0|2,0,0]=4 234 B15R1.9922 C=CCC(=O)C(C(=O)C)c1ccccc1 1458a_100000210193_100009888967 [0,2,0,0,0,0|2,0,0]=4 235 B15R1.9922 C=CCC(=O)C(C(=O)N)c1ccccc1 1458a_100000210193_100000188848 [0,2,0,0,0,0|2,0,0]=4 236 B15R1.9922 CC#CC(=O)C(C(=O)C)c1ccccc1 1458a_100000763181_100009888967 [0,2,0,0,0,0|2,0,0]=4 237 B15R1.9922 CC#CC(=O)C(C(=O)N)c1ccccc1 1458a_100000763181_100000188848 [0,2,0,0,0,0|2,0,0]=4 238 B15R1.9922 CC(=O)C(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100009888967 [0,2,0,0,0,0|2,0,0]=4 239 B15R1.9922 CC(=O)C(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100009888967 [0,2,0,0,0,0|2,0,0]=4 240 B15R1.9922 CC(=O)C(C(=O)C=CI)c1ccccc1 1458a_100016256311_100009888967 [0,2,0,0,0,0|2,0,0]=4 241 B15R1.9922 CC(=O)C(C(=O)CC#N)c1ccccc1 1458a_100051588842_100009888967 [0,2,0,0,0,0|2,0,0]=4 242 B15R1.9922 CC(=O)C(C(=O)CCO)c1ccccc1 1458a_100011216618_100009888967 [0,2,0,0,0,0|1,0,0]=3 243 B15R1.9922 CC=CC(=O)C(C(=O)C)c1ccccc1 1458a_100000210699_100009888967 [0,2,0,0,0,0|2,0,0]=4 244 B15R1.9922 CC=CC(=O)C(C(=O)N)c1ccccc1 1458a_100000210699_100000188848 [0,2,0,0,0,0|2,0,0]=4 245 B15R1.9922 CCCC(=O)C(C(=O)C)c1ccccc1 1458a_100000211992_100009888967 [0,2,0,0,0,0|2,0,0]=4 246 B15R1.9922 CCCC(=O)C(C(=O)N)c1ccccc1 1458a_100000211992_100000188848 [0,2,0,0,0,0|2,0,0]=4 247 B15R1.9922 CCOC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100000184263 [0,2,0,0,0,0|1,0,0]=3 248 B15R1.9922 COCC(=O)C(C(=O)C)c1ccccc1 1458a_100000210968_100009888967 [0,2,0,0,0,0|1,0,0]=3 249 B15R1.9922 COCC(=O)C(C(=O)N)c1ccccc1 1458a_100000210968_100000188848 [0,2,0,0,0,0|1,0,0]=3 250 B15R1.9922 CSCC(=O)C(C(=O)C)c1ccccc1 1458a_100000184570_100009888967 [0,2,0,0,0,0|1,1,0]=4 251 B15R1.9922 CSCC(=O)C(C(=O)N)c1ccccc1 1458a_100000184570_100000188848 [0,2,0,0,0,0|1,1,0]=4 252 B15R1.9922 N#CCC(=O)C(C(=O)N)c1ccccc1 1458a_100051588842_100000188848 [0,2,0,0,0,0|2,0,0]=4 253 B15R1.9922 NC(=O)C(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000188848 [0,2,0,0,0,0|2,0,0]=4 254 B15R1.9922 NC(=O)C(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000188848 [0,2,0,0,0,0|2,0,0]=4 255 B15R1.9922 NC(=O)C(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000188848 [0,2,0,0,0,0|2,0,0]=4 256 B15R1.9922 NC(=O)C(C(=O)CCO)c1ccccc1 1458a_100011216618_100000188848 [0,2,0,0,0,0|1,0,0]=3 257 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [1,0,0,1,0,0|2,0,0]=4 258 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [1,0,0,1,0,0|2,0,0]=4 259 B15R2.355 O=C1CCC(=O)C1Oc2ccccc2 7a_100000210340_100009820769 [0,0,0,1,0,1|2,0,0]=4 260 B15R2.355 O=C1CCC(=O)C1Sc2ccccc2 62a_100000719477_100009820769 [0,0,0,1,0,1|2,0,0]=4 261 B15R2.355 O=C1CCC(=O)C1Sc2ccccc2 62a_100009820769_100000041952 [0,0,0,1,0,1|2,0,0]=4 262 B15R2.355 O=C1COC(=O)C1Nc2ccccc2 34a_100000106764_100000032967 [0,0,0,1,0,1|1,0,0]=3 263 B15R2.355 O=C1COC(=O)C1Oc2ccccc2 34a_100000210340_100000032967 [0,0,0,1,0,1|1,0,0]=3 264 B15R2.355 O=C1COC(=O)C1Oc2cccnc2 34a_100000210849_100000032967 [0,0,0,1,0,1|2,0,0]=4 265 B15R2.355 O=C1COC(=O)C1Oc2ccncc2 34a_100000212176_100000032967 [0,0,0,1,0,1|2,0,0]=4 266 B15R2.355 O=C1COC(=O)C1Sc2ccccc2 62a_100000719477_100000032967 [0,0,0,1,0,1|1,0,0]=3 267 B15R2.355 O=C1COC(=O)C1Sc2ccccn2 62a_100011216584_100000032967 [0,0,0,1,0,1|2,0,0]=4 268 B15R2.355 O=C1COC(=O)C1Sc2cccnc2 62a_100000210063_100000032967 [0,0,0,1,0,1|2,0,0]=4 269 B15R2.355 O=C1COC(=O)C1Sc2ccncc2 62a_100000728582_100000032967 [0,0,0,1,0,1|2,0,0]=4 270 B15R2.993 CC(=O)Cn1c(=O)oc2c1cccc2 1458a_100000184755_200000210301 [0,0,0,1,0,1|2,0,0]=4 271 B15R2.993 CC(=O)NC1C(=O)Nc2c1cccc2 240690a_200000746459_100015343762 [0,0,0,1,0,1|2,0,0]=4 272 B15R2.993 [13CH3]C(=O)Cn1c(=O)oc2c1cccc2 1458a_100000184755_200025704644 [0,0,0,1,0,1|2,0,0]=4 273 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [1,0,0,0,0,1|1,0,1]=4 274 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [1,0,0,0,0,1|1,0,1]=4 275 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [1,0,0,0,0,1|1,0,1]=4 276 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [1,0,0,0,0,1|2,0,0]=4 277 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [1,0,0,0,0,1|1,0,1]=4 278 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [1,0,0,0,0,1|2,0,0]=4 279 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100015343762 [0,0,0,0,0,2|2,0,0]=4 280 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100015343762 [0,0,0,0,0,2|2,0,0]=4 281 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100015343762 [0,0,0,0,0,2|2,0,0]=4 282 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100103153847 [0,0,0,0,0,2|2,0,0]=4 283 B15R1.3565 CC(=O)N[C@@H](Cc1ccccc1)C(=O)C 1458a_100011416797_200000210301 [0,0,0,0,0,2|2,0,0]=4 284 B15R1.3565 CC(=O)N[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_100011416797_200025704644 [0,0,0,0,0,2|2,0,0]=4 285 B15R1.3565 CC(=O)O[C@@H](Cc1ccccc1)C(=O)C 1458a_200015294773_200000210301 [0,0,0,0,0,2|2,0,0]=4 286 B15R1.3565 CC(=O)O[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_200015294773_200025704644 [0,0,0,0,0,2|2,0,0]=4 287 B15R1.3569 CC(=O)C(SCc1ccccc1)C(=O)C 62a_100000210371_100015291786 [0,0,0,0,0,2|2,0,0]=4 288 B15R1.3569 CC(=O)C(SCc1ccccc1)C(=O)C 62a_100000211182_100000210371 [0,0,0,0,0,2|2,0,0]=4 289 B15R1.3569 CC(O)C(NCc1ccccc1)C(=O)O 269956a_100000185852_100015291786 [0,0,0,0,0,2|1,0,1]=4 290 B15R1.3569 NC(=O)C(NCc1ccccc1)C(=O)N 2230a_100000025885_100015291786 [0,0,0,0,0,2|2,0,0]=4 291 B15R1.3569 NC(=O)C(NCc1ccccc1)C(=O)N 270004a_100000025885_100015611070 [0,0,0,0,0,2|2,0,0]=4 292 B15R1.9083 CC(=O)CC(NC(=O)C)c1ccccc1 1458a_100000182824_200000210301 [0,0,0,0,0,2|2,0,0]=4 293 B15R1.9083 CC(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200000210301 [0,0,0,0,0,2|2,0,0]=4 294 B15R1.9083 CC(=O)NC(CC(=O)[13CH3])c1ccccc1 1458a_100000182824_200025704644 [0,0,0,0,0,2|2,0,0]=4 295 B15R1.9083 NC(=O)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000187820 [0,0,0,0,0,2|2,0,0]=4 296 B15R1.9083 O=C([O-])CN(CC(=O)O)c1ccccc1 269956a_100000212060_100020667443 [0,0,0,0,0,2|1,0,1]=4 297 B15R1.9083 [13CH3]C(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200025704644 [0,0,0,0,0,2|2,0,0]=4 298 B15R1.12293 C=C(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000748629 [0,0,0,0,0,2|2,0,0]=4 299 B15R1.12293 C=C(F)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000042424 [0,0,0,0,0,2|2,0,0]=4 300 B15R1.12293 CC(=O)C(NCC(=O)N)c1ccccc1 2230a_100000711301_100009888967 [0,0,0,0,0,2|2,0,0]=4 301 B15R1.12293 CC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100009888967 [0,0,0,0,0,2|1,0,0]=3 302 B15R1.12293 CC(=O)C(SCC(=O)N)c1ccccc1 62a_100000747473_100009888967 [0,0,0,0,0,2|2,0,0]=4 303 B15R1.12293 CC(=O)C(SCC(=O)N)c1ccccc1 62a_100009888967_100000747473 [0,0,0,0,0,2|2,0,0]=4 304 B15R1.12293 CC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100009888967_100020667443 [0,0,0,0,0,2|1,0,1]=4 305 B15R1.12293 CC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100020667443_100009888967 [0,0,0,0,0,2|1,0,1]=4 306 B15R1.12293 CC(=O)OCC(C(=O)C)c1ccccc1 1458a_200010206951_200000210301 [0,0,0,0,0,2|2,0,0]=4 307 B15R1.12293 CC(=O)OCC(C(=O)[13CH3])c1ccccc1 1458a_200010206951_200025704644 [0,0,0,0,0,2|2,0,0]=4 308 B15R1.12293 CC(O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100011218427 [0,0,0,0,0,2|1,0,1]=4 309 B15R1.12293 C[C@@H](O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100009817552 [0,0,0,0,0,2|1,0,1]=4 310 B15R1.12293 NC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000188848 [0,0,0,0,0,2|1,0,0]=3 311 B15R1.12293 NC(=O)C(OCC(=O)[O-])c1ccccc1 34a_100011200849_100020667443 [0,0,0,0,0,2|1,0,1]=4 312 B15R1.12293 NC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100000188848_100020667443 [0,0,0,0,0,2|1,0,1]=4 313 B15R1.12293 NC(=O)C(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000188848 [0,0,0,0,0,2|1,0,1]=4 314 B15R1.12293 NC(=O)CNC(C(=O)N)c1ccccc1 2230a_100000711301_100000188848 [0,0,0,0,0,2|2,0,0]=4 315 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000187820 [0,0,0,0,0,2|1,0,0]=3 316 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccn1 269956a_200016167988_100000187820 [0,0,0,0,0,2|2,0,0]=4 317 B15R1.12293 NC(=O)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000747473 [0,0,0,0,0,2|2,0,0]=4 318 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 34a_100011200849_100000187820 [0,0,0,0,0,2|2,0,0]=4 319 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 7a_100011200849_100000187820 [0,0,0,0,0,2|2,0,0]=4 320 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000747473 [0,0,0,0,0,2|2,0,0]=4 321 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000747473_100000188848 [0,0,0,0,0,2|2,0,0]=4 322 B15R1.12293 O=C(O)C(NC[N+](=O)[O-])c1ccccc1 269956a_100000230147_100000761209 [0,0,0,0,0,2|1,0,1]=4 323 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccc1 269956a_100000230147_100020667443 [0,0,0,0,0,2|0,0,1]=3 324 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccn1 269956a_200016167988_100020667443 [0,0,0,0,0,2|1,0,1]=4