0 B14R1.1019 C=C(C)CN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.1019 C=C(C)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.1019 C=C(C)CN(CC)c1ccc(cc1)Cl 34a_100000220165_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.1019 C=C(F)CN(CC)c1ccc(cc1)Cl 2230a_100000220165_100009893438 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.1019 C=C(F)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100009893438 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.1019 C=C(F)CN(CC)c1ccc(cc1)Cl 34a_100000220165_100009893438 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl 11a_100000747793_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl 1626a_100000747793_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl 240690a_100000747793_100015343762 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100015343762 [0,0,0,0,0,0|3,1,0]=4 10 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 527a_100000734186_100103153847 [0,0,0,0,0,0|3,1,0]=4 11 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)F 240690a_100000705410_100015343762 [0,0,0,0,0,0|3,1,0]=4 12 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)F 527a_100000705410_100103153847 [0,0,0,0,0,0|3,1,0]=4 13 B14R1.1019 CC(=O)N[C@@H](CO)c1ccc(cc1)C 240690a_100009818840_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B14R1.1019 CC(=O)N[C@@H](CO)c1ccc(cc1)C 527a_100009818840_100103153847 [0,0,0,0,0,0|4,0,0]=4 15 B14R1.1019 CC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100015343762 [0,0,0,0,0,0|3,0,0]=3 16 B14R1.1019 CC(=O)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100103153847 [0,0,0,0,0,0|3,0,0]=3 17 B14R1.1019 CC(C)OC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210206 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 11a_100000749201_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 1626a_100000749201_100015343762 [0,0,0,0,0,0|4,0,0]=4 20 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 240690a_100000749201_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 527a_100000749201_100103153847 [0,0,0,0,0,0|4,0,0]=4 22 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 11a_100011191751_100015343762 [0,0,0,0,0,0|3,1,0]=4 23 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 1626a_100011191751_100015343762 [0,0,0,0,0,0|3,1,0]=4 24 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 240690a_100011191751_100015343762 [0,0,0,0,0,0|3,1,0]=4 25 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 527a_100011191751_100103153847 [0,0,0,0,0,0|3,1,0]=4 26 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 1626a_100015187210_100015343762 [0,0,0,0,0,0|4,0,0]=4 27 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 240690a_100015187210_100015343762 [0,0,0,0,0,0|4,0,0]=4 28 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 527a_100015187210_100103153847 [0,0,0,0,0,0|4,0,0]=4 29 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219632_100000747473 [0,0,0,0,0,0|3,1,0]=4 30 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219632_100000187820 [0,0,0,0,0,0|3,1,0]=4 31 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Br 34a_100000219632_100000187820 [0,0,0,0,0,0|3,1,0]=4 32 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)C 2230a_100000219985_100000747473 [0,0,0,0,0,0|4,0,0]=4 33 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)C 269982a_100000219985_100000187820 [0,0,0,0,0,0|4,0,0]=4 34 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)C 34a_100000219985_100000187820 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Cl 2230a_100000220165_100000747473 [0,0,0,0,0,0|3,0,0]=3 36 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Cl 269982a_100000220165_100000187820 [0,0,0,0,0,0|3,0,0]=3 37 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)Cl 34a_100000220165_100000187820 [0,0,0,0,0,0|3,0,0]=3 38 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)F 2230a_100102640331_100000747473 [0,0,0,0,0,0|3,1,0]=4 39 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)F 269982a_100102640331_100000187820 [0,0,0,0,0,0|3,1,0]=4 40 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)F 34a_100102640331_100000187820 [0,0,0,0,0,0|3,1,0]=4 41 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)O 2230a_100011337800_100000747473 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)O 269982a_100011337800_100000187820 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.1019 CCN(CC(=O)N)c1ccc(cc1)O 34a_100011337800_100000187820 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210202 [0,0,0,0,0,0|2,1,0]=3 45 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210202 [0,0,0,0,0,0|2,0,0]=2 46 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210202 [0,0,0,0,0,0|2,1,0]=3 47 B14R1.1019 CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210202 [0,0,0,0,0,0|2,1,0]=3 48 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219632_100020667443 [0,0,0,0,0,0|2,1,1]=4 49 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219632_100020667443 [0,0,0,0,0,0|2,1,1]=4 50 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)C 269982a_100000219985_100020667443 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)C 34a_100000219985_100020667443 [0,0,0,0,0,0|3,0,1]=4 52 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100000220165_100020667443 [0,0,0,0,0,0|2,0,1]=3 53 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100000220165_100020667443 [0,0,0,0,0,0|2,0,1]=3 54 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)F 269982a_100102640331_100020667443 [0,0,0,0,0,0|2,1,1]=4 55 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)F 34a_100102640331_100020667443 [0,0,0,0,0,0|2,1,1]=4 56 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)O 269982a_100011337800_100020667443 [0,0,0,0,0,0|3,0,1]=4 57 B14R1.1019 CCN(CC(=O)[O-])c1ccc(cc1)O 34a_100011337800_100020667443 [0,0,0,0,0,0|3,0,1]=4 58 B14R1.1019 CCN(CC(C)O)c1ccc(cc1)Cl 2230a_100000220165_100011218427 [0,0,0,0,0,0|3,0,1]=4 59 B14R1.1019 CCN(CC(C)O)c1ccc(cc1)Cl 269982a_100000220165_100011218427 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.1019 CCN(CC(C)O)c1ccc(cc1)Cl 34a_100000220165_100011218427 [0,0,0,0,0,0|3,0,1]=4 61 B14R1.1019 CCN(C[C@@H](C)O)c1ccc(cc1)Cl 2230a_100000220165_100009817552 [0,0,0,0,0,0|3,0,1]=4 62 B14R1.1019 CCN(C[C@@H](C)O)c1ccc(cc1)Cl 269982a_100000220165_100009817552 [0,0,0,0,0,0|3,0,1]=4 63 B14R1.1019 CCN(C[C@@H](C)O)c1ccc(cc1)Cl 34a_100000220165_100009817552 [0,0,0,0,0,0|3,0,1]=4 64 B14R1.1019 CCN(C[N+](=O)[O-])c1ccc(cc1)Cl 269982a_100000220165_100000761209 [0,0,0,0,0,0|3,0,1]=4 65 B14R1.1019 CCN(C[N+](=O)[O-])c1ccc(cc1)Cl 34a_100000220165_100000761209 [0,0,0,0,0,0|3,0,1]=4 66 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 11a_100025736560_100015343762 [0,0,0,0,0,0|3,1,0]=4 67 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 1626a_100025736560_100015343762 [0,0,0,0,0,0|3,1,0]=4 68 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 240690a_100025736560_100015343762 [0,0,0,0,0,0|3,1,0]=4 69 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 527a_100025736560_100103153847 [0,0,0,0,0,0|3,1,0]=4 70 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 11a_100015186824_100015343762 [0,0,0,0,0,0|3,0,0]=3 71 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 1626a_100015186824_100015343762 [0,0,0,0,0,0|3,0,0]=3 72 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 240690a_100015186824_100015343762 [0,0,0,0,0,0|3,0,0]=3 73 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 527a_100015186824_100103153847 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200000210301 [0,0,0,0,0,0|2,1,0]=3 75 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200000210301 [0,0,0,0,0,0|2,1,0]=3 77 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B14R1.1019 CN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200000210301 [0,0,0,0,0,0|2,0,0]=2 79 B14R1.1019 Cc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_100000183803_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)Br 269956a_100000756367_100015361967 [0,0,0,0,0,0|2,1,0]=3 81 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)Cl 269956a_100000741738_100015361967 [0,0,0,0,0,0|2,0,0]=2 82 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)F 269956a_100011202419_100015361967 [0,0,0,0,0,0|2,1,0]=3 83 B14R1.1019 O=C(O)CN(CF)c1ccc(cc1)I 269956a_200011249329_100015361967 [0,0,0,0,0,0|2,1,0]=3 84 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200025704644 [0,0,0,0,0,0|2,1,0]=3 85 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200025704644 [0,0,0,0,0,0|2,1,0]=3 86 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B14R1.1019 [13CH3]N[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [1,0,0,0,0,0|3,0,0]=4 89 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [1,0,0,0,0,0|3,0,0]=4 91 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [1,0,0,0,0,0|3,0,0]=4 92 B13R1.1 C=CCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210623 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.1 C=CCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000210623 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.1 C=CCN(CC)c1ccc(cc1)Cl 34a_100000220165_100015514636 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 2230a_100000219632_200015260668 [1,0,0,0,0,0|2,1,0]=4 96 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 269982a_100000219632_200015260668 [1,0,0,0,0,0|2,1,0]=4 97 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 34a_100000219632_200009817547 [1,0,0,0,0,0|2,1,0]=4 98 B13R1.1 CCN(CC=O)c1ccc(cc1)C 2230a_100000219985_200015260668 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.1 CCN(CC=O)c1ccc(cc1)C 269982a_100000219985_200015260668 [1,0,0,0,0,0|3,0,0]=4 100 B13R1.1 CCN(CC=O)c1ccc(cc1)C 34a_100000219985_200009817547 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 2230a_100000220165_200015260668 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 269982a_100000220165_200015260668 [1,0,0,0,0,0|2,0,0]=3 103 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 34a_100000220165_200009817547 [1,0,0,0,0,0|2,0,0]=3 104 B13R1.1 CCN(CC=O)c1ccc(cc1)F 2230a_100102640331_200015260668 [1,0,0,0,0,0|2,1,0]=4 105 B13R1.1 CCN(CC=O)c1ccc(cc1)F 269982a_100102640331_200015260668 [1,0,0,0,0,0|2,1,0]=4 106 B13R1.1 CCN(CC=O)c1ccc(cc1)F 34a_100102640331_200009817547 [1,0,0,0,0,0|2,1,0]=4 107 B13R1.1 CCN(CC=O)c1ccc(cc1)O 2230a_100011337800_200015260668 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.1 CCN(CC=O)c1ccc(cc1)O 269982a_100011337800_200015260668 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.1 CCN(CC=O)c1ccc(cc1)O 34a_100011337800_200009817547 [1,0,0,0,0,0|3,0,0]=4 110 B13R1.1 CCN(CCO)c1ccc(cc1)Cl 2230a_100000220165_100000211926 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.1 CCN(CCO)c1ccc(cc1)Cl 269982a_100000220165_100000211926 [1,0,0,0,0,0|2,0,1]=4 112 B13R1.1 CCN(CCO)c1ccc(cc1)Cl 34a_100000220165_100000211926 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.1 CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210202 [1,0,0,0,0,0|2,0,1]=4 114 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.1 NCC(OCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [1,0,0,0,0,0|2,0,1]=4 117 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [1,0,0,0,0,0|2,0,1]=4 118 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [1,0,0,0,0,0|2,0,1]=4 119 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000748629 [1,0,0,0,0,0|3,0,0]=4 120 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000748629 [1,0,0,0,0,0|3,0,0]=4 121 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000748629 [1,0,0,0,0,0|3,0,0]=4 122 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009893438 [1,0,0,0,0,0|3,0,0]=4 123 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009893438 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.132 C=C(F)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009893438 [1,0,0,0,0,0|3,0,0]=4 125 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [1,0,0,0,0,0|2,0,1]=4 126 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [1,0,0,0,0,0|2,0,0]=3 127 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [1,0,0,0,0,0|2,0,0]=3 128 B13R1.132 CC(=O)CN(C)c1ccc(cn1)Cl 1458a_100020591386_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [1,0,0,0,0,0|2,1,0]=4 130 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [1,0,0,0,0,0|3,0,0]=4 131 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [1,0,0,0,0,0|2,1,0]=4 132 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [1,0,0,0,0,0|2,1,0]=4 133 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [1,0,0,0,0,0|2,1,0]=4 134 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [1,0,0,0,0,0|2,1,0]=4 135 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [1,0,0,0,0,0|2,1,0]=4 136 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [1,0,0,0,0,0|2,1,0]=4 137 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [1,0,0,0,0,0|2,1,0]=4 138 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [1,0,0,0,0,0|2,1,0]=4 139 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [1,0,0,0,0,0|2,1,0]=4 141 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [1,0,0,0,0,0|2,1,0]=4 142 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [1,0,0,0,0,0|2,1,0]=4 143 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [1,0,0,0,0,0|2,1,0]=4 144 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [1,0,0,0,0,0|3,0,0]=4 145 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [1,0,0,0,0,0|3,0,0]=4 147 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [1,0,0,0,0,0|3,0,0]=4 148 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [1,0,0,0,0,0|2,0,0]=3 149 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [1,0,0,0,0,0|2,0,0]=3 150 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [1,0,0,0,0,0|2,0,0]=3 151 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [1,0,0,0,0,0|2,0,0]=3 152 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [1,0,0,0,0,0|2,0,1]=4 153 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218427 [1,0,0,0,0,0|2,0,1]=4 154 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218427 [1,0,0,0,0,0|2,0,1]=4 155 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011218427 [1,0,0,0,0,0|2,0,1]=4 156 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [1,0,0,0,0,0|2,1,0]=4 157 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [1,0,0,0,0,0|2,1,0]=4 158 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [1,0,0,0,0,0|2,1,0]=4 159 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [1,0,0,0,0,0|2,0,0]=3 160 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [1,0,0,0,0,0|2,0,0]=3 161 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [1,0,0,0,0,0|2,0,0]=3 162 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [1,0,0,0,0,0|2,1,0]=4 163 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [1,0,0,0,0,0|2,1,0]=4 164 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [1,0,0,0,0,0|2,1,0]=4 165 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [1,0,0,0,0,0|2,1,0]=4 166 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [1,0,0,0,0,0|2,1,0]=4 167 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [1,0,0,0,0,0|2,1,0]=4 168 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [1,0,0,0,0,0|3,0,0]=4 169 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [1,0,0,0,0,0|3,0,0]=4 170 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [1,0,0,0,0,0|1,1,0]=3 171 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [1,0,0,0,0,0|1,0,0]=2 172 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [1,0,0,0,0,0|1,1,0]=3 173 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [1,0,0,0,0,0|1,1,0]=3 174 B13R1.132 CN(CC(=O)[13CH3])c1ccc(cn1)Cl 1458a_100020591386_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100020667443 [1,0,0,0,0,0|1,1,1]=4 176 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219623_100020667443 [1,0,0,0,0,0|1,1,1]=4 177 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100020667443 [1,0,0,0,0,0|1,0,1]=3 178 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100020667443 [1,0,0,0,0,0|1,0,1]=3 179 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 269982a_100000219829_100020667443 [1,0,0,0,0,0|1,1,1]=4 180 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 34a_100000219829_100020667443 [1,0,0,0,0,0|1,1,1]=4 181 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [1,0,0,0,0,0|1,1,1]=4 182 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [1,0,0,0,0,0|1,1,1]=4 183 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [1,0,0,0,0,0|2,0,1]=4 184 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [1,0,0,0,0,0|2,0,1]=4 185 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100000761209 [1,0,0,0,0,0|2,0,1]=4 186 B13R1.132 CN(C[N+](=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100000761209 [1,0,0,0,0,0|2,0,1]=4 187 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009817552 [1,0,0,0,0,0|2,0,1]=4 188 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009817552 [1,0,0,0,0,0|2,0,1]=4 189 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009817552 [1,0,0,0,0,0|2,0,1]=4 190 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [1,0,0,0,0,0|3,0,0]=4 193 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [1,0,0,0,0,0|3,0,0]=4 194 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [1,0,0,0,0,0|2,0,1]=4 195 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [1,0,0,0,0,0|2,0,1]=4 196 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [1,0,0,0,0,0|2,0,1]=4 197 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [1,0,0,0,0,0|1,0,2]=4 198 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [1,0,0,0,0,0|1,1,0]=3 199 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [1,0,0,0,0,0|1,0,0]=2 200 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [1,0,0,0,0,0|1,1,0]=3 201 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [1,0,0,0,0,0|1,1,0]=3 202 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [1,0,0,0,0,0|1,0,2]=4 203 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [1,0,0,0,0,0|2,0,0]=3 204 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [1,0,0,0,0,0|3,0,0]=4 205 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [1,0,0,0,0,0|3,0,0]=4 206 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [1,0,0,0,0,0|3,0,0]=4 207 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [1,0,0,0,0,0|3,0,0]=4 208 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [1,0,0,0,0,0|3,0,0]=4 209 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [1,0,0,0,0,0|3,0,0]=4 212 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [1,0,0,0,0,0|3,0,0]=4 213 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [1,0,0,0,0,0|3,0,0]=4 214 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [1,0,0,0,0,0|2,0,0]=3 216 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 269982a_100000210013_100020667443 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 34a_100000210013_100020667443 [1,0,0,0,0,0|2,0,1]=4 218 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B13R1.713 NC(=O)CN(CF)c1ccccc1 269982a_100000212578_100015361967 [1,0,0,0,0,0|3,0,0]=4 221 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [1,0,0,0,0,0|2,0,0]=3 222 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [1,0,0,0,0,0|1,0,2]=4 223 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [1,0,0,0,0,0|2,0,0]=3 224 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [1,0,0,0,0,0|2,0,0]=3 226 B15R1.2 CCN(CC(=O)O)c1ccc(cc1)C#N 269956a_100000743605_100000210202 [0,1,0,0,0,0|3,0,0]=4 227 B15R1.2 CCN(CC(=O)O)c1ccc(cc1)OC 269956a_200011202415_100000210202 [0,1,0,0,0,0|3,0,0]=4 228 B15R1.2 CCc1ccc(cc1)C(CC(=O)O)NC 269956a_200011224097_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B15R1.2 CCc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_200011224097_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B15R1.2 CNC(CC(=O)O)c1ccc(cc1)SC 269956a_200000239654_200000210301 [0,1,0,0,0,0|3,0,0]=4 231 B15R1.2 CN[C@@H](CC(=O)O)c1ccc(cc1)OC 269956a_100000703991_200000210301 [0,1,0,0,0,0|3,0,0]=4 232 B15R1.2 CN[C@H](CC(=O)O)c1ccc(cc1)C#N 269956a_100016193326_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B15R1.2 COc1ccc(cc1)N(CF)CC(=O)O 269956a_200011202415_100015361967 [0,1,0,0,0,0|3,0,0]=4 234 B15R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N[13CH3] 269956a_100000703991_200025704644 [0,1,0,0,0,0|3,0,0]=4 235 B15R1.2 CSc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_200000239654_200025704644 [0,1,0,0,0,0|3,0,0]=4 236 B15R1.2 N#Cc1ccc(cc1)N(CF)CC(=O)O 269956a_100000743605_100015361967 [0,1,0,0,0,0|3,0,0]=4 237 B15R1.2 [13CH3]N[C@H](CC(=O)O)c1ccc(cc1)C#N 269956a_100016193326_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000184674 [0,1,0,0,0,0|2,1,0]=4 239 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000184674 [0,1,0,0,0,0|2,0,0]=3 240 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000184674 [0,1,0,0,0,0|2,1,0]=4 241 B15R1.625 C#CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000184674 [0,1,0,0,0,0|2,1,0]=4 242 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210623 [0,1,0,0,0,0|2,1,0]=4 243 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210623 [0,1,0,0,0,0|2,0,0]=3 244 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210623 [0,1,0,0,0,0|2,1,0]=4 245 B15R1.625 C=CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210623 [0,1,0,0,0,0|2,1,0]=4 246 B15R1.625 CC(=O)NC(CCO)c1ccc(cc1)Cl 240690a_100000730317_100015343762 [0,1,0,0,0,0|3,0,0]=4 247 B15R1.625 CC(=O)NC(CCO)c1ccc(cc1)Cl 527a_100000730317_100103153847 [0,1,0,0,0,0|3,0,0]=4 248 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210207 [0,1,0,0,0,0|2,1,0]=4 249 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210207 [0,1,0,0,0,0|2,0,0]=3 250 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210207 [0,1,0,0,0,0|2,1,0]=4 251 B15R1.625 CCCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210207 [0,1,0,0,0,0|2,1,0]=4 252 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000210202 [0,1,0,0,0,0|1,1,0]=3 253 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100000210202 [0,1,0,0,0,0|2,0,0]=3 254 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000210202 [0,1,0,0,0,0|1,1,0]=3 255 B15R1.625 CCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000210202 [0,1,0,0,0,0|2,0,0]=3 256 B15R1.625 CCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000210202 [0,1,0,0,0,0|1,0,0]=2 257 B15R1.625 CNCC(CC(=O)O)c1ccc(cc1)Cl 269956a_100000693554_200000210301 [0,1,0,0,0,0|0,0,0]=1 258 B15R1.625 CNCC(CC(=O)O)c1ccc(cc1)F 269956a_100020682740_200000210301 [0,1,0,0,0,0|0,1,0]=2 259 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000766300 [0,1,0,0,0,0|2,1,0]=4 260 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000766300 [0,1,0,0,0,0|2,0,0]=3 261 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000766300 [0,1,0,0,0,0|2,1,0]=4 262 B15R1.625 COCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000766300 [0,1,0,0,0,0|2,1,0]=4 263 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100011218213 [0,1,0,0,0,0|2,1,0]=4 264 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011218213 [0,1,0,0,0,0|2,0,0]=3 265 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100011218213 [0,1,0,0,0,0|2,1,0]=4 266 B15R1.625 CSCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100011218213 [0,1,0,0,0,0|2,1,0]=4 267 B15R1.625 Cc1ccc(cc1)C(CC(=O)O)NCF 269956a_100000183803_100015361967 [0,1,0,0,0,0|2,0,0]=3 268 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100011215382 [0,1,0,0,0,0|1,1,1]=4 269 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011215382 [0,1,0,0,0,0|1,0,1]=3 270 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100011215382 [0,1,0,0,0,0|1,1,1]=4 271 B15R1.625 N#CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100011215382 [0,1,0,0,0,0|1,1,1]=4 272 B15R1.625 O=C(O)CC(NCF)c1ccc(cc1)Br 269956a_100000230149_100015361967 [0,1,0,0,0,0|1,1,0]=3 273 B15R1.625 O=C(O)CC(NCF)c1ccc(cc1)F 269956a_100000183810_100015361967 [0,1,0,0,0,0|1,1,0]=3 274 B15R1.625 O=C(O)CC(NCF)c1ccc(cc1)O 269956a_100000023953_100015361967 [0,1,0,0,0,0|2,0,0]=3 275 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)Br 269956a_100000756367_100011217306 [0,1,0,0,0,0|2,1,0]=4 276 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)Cl 269956a_100000741738_100011217306 [0,1,0,0,0,0|2,0,0]=3 277 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)F 269956a_100011202419_100011217306 [0,1,0,0,0,0|2,1,0]=4 278 B15R1.625 O=C(O)CN(CCF)c1ccc(cc1)I 269956a_200011249329_100011217306 [0,1,0,0,0,0|2,1,0]=4 279 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)Br 269956a_100000756367_100000211926 [0,1,0,0,0,0|2,1,0]=4 280 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)Cl 269956a_100000741738_100000211926 [0,1,0,0,0,0|2,0,0]=3 281 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)F 269956a_100011202419_100000211926 [0,1,0,0,0,0|2,1,0]=4 282 B15R1.625 O=C(O)CN(CCO)c1ccc(cc1)I 269956a_200011249329_100000211926 [0,1,0,0,0,0|2,1,0]=4 283 B15R1.625 O=C(O)C[C@@H](NCF)c1ccc(cc1)Cl 269956a_102495366484_100015361967 [0,1,0,0,0,0|1,0,0]=2 284 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200015260668 [0,1,0,0,0,0|2,1,0]=4 285 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200015260668 [0,1,0,0,0,0|2,0,0]=3 286 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200015260668 [0,1,0,0,0,0|2,1,0]=4 287 B15R1.625 O=CCN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200015260668 [0,1,0,0,0,0|2,1,0]=4 288 B15R1.625 [13CH3]NCC(CC(=O)O)c1ccc(cc1)Cl 269956a_100000693554_200025704644 [0,1,0,0,0,0|0,0,0]=1 289 B15R1.625 [13CH3]NCC(CC(=O)O)c1ccc(cc1)F 269956a_100020682740_200025704644 [0,1,0,0,0,0|0,1,0]=2 290 B15R1.922 CC(=O)NC(c1ccc(cc1)Cl)C(C)C 11a_100015204473_100015343762 [0,1,0,0,0,0|3,0,0]=4 291 B15R1.922 CC(=O)NC(c1ccc(cc1)Cl)C(C)C 1626a_100015204473_100015343762 [0,1,0,0,0,0|3,0,0]=4 292 B15R1.922 CC(=O)NC(c1ccc(cc1)Cl)C(C)C 240690a_100015204473_100015343762 [0,1,0,0,0,0|3,0,0]=4 293 B15R1.922 CC(=O)NC(c1ccc(cc1)Cl)C(C)C 527a_100015204473_100103153847 [0,1,0,0,0,0|3,0,0]=4 294 B15R1.922 CC(C)N(CC(=O)N)c1ccc(cc1)Cl 2230a_100000749197_100000747473 [0,1,0,0,0,0|3,0,0]=4 295 B15R1.922 CC(C)N(CC(=O)N)c1ccc(cc1)Cl 269982a_100000749197_100000187820 [0,1,0,0,0,0|3,0,0]=4 296 B15R1.922 CC(C)N(CC(=O)N)c1ccc(cc1)Cl 34a_100000749197_100000187820 [0,1,0,0,0,0|3,0,0]=4 297 B15R1.922 CC(C)N(CC(=O)N)c1ccc(cc1)Cl 7a_100000749197_100000187820 [0,1,0,0,0,0|3,0,0]=4 298 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000210206 [0,1,0,0,0,0|2,1,0]=4 299 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210206 [0,1,0,0,0,0|2,0,0]=3 300 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000210206 [0,1,0,0,0,0|2,1,0]=4 301 B15R1.922 CC(C)N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000210206 [0,1,0,0,0,0|2,1,0]=4 302 B15R1.922 CC(C)N(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100000749197_100020667443 [0,1,0,0,0,0|2,0,1]=4 303 B15R1.922 CC(C)N(CC(=O)[O-])c1ccc(cc1)Cl 34a_100000749197_100020667443 [0,1,0,0,0,0|2,0,1]=4 304 B15R1.1353 CC(C(=O)O)N(CF)c1ccc(cc1)F 269956a_100011202447_100015361967 [0,1,0,0,0,0|2,1,0]=4 305 B15R1.1353 CCN(c1ccc(cc1)Cl)C(C)C(=O)C 2230a_100000220165_100009814033 [0,1,0,0,0,0|3,0,0]=4 306 B15R1.1353 CCN(c1ccc(cc1)Cl)C(C)C(=O)C 269982a_100000220165_100009814033 [0,1,0,0,0,0|3,0,0]=4 307 B15R1.1353 CCN(c1ccc(cc1)Cl)C(C)C(=O)N 2230a_100000220165_100000702099 [0,1,0,0,0,0|3,0,0]=4 308 B15R1.1353 CCN(c1ccc(cc1)Cl)C(C)C(=O)N 269982a_100000220165_100000184083 [0,1,0,0,0,0|3,0,0]=4 309 B15R1.1353 CCN(c1ccc(cc1)Cl)C(C)C(=O)N 34a_100000220165_100000702099 [0,1,0,0,0,0|3,0,0]=4 310 B15R1.1353 CCN(c1ccc(cc1)Cl)C(F)C(=O)N 2230a_100000220165_100009813875 [0,1,0,0,0,0|3,0,0]=4 311 B15R1.1353 CCN(c1ccc(cc1)Cl)C(F)C(=O)N 269982a_100000220165_100009813875 [0,1,0,0,0,0|3,0,0]=4 312 B15R1.1353 CCN(c1ccc(cc1)Cl)C(F)C(=O)N 34a_100000220165_100009813875 [0,1,0,0,0,0|3,0,0]=4 313 B15R1.1353 CCN(c1ccc(cc1)Cl)C(F)C(=O)[O-] 34a_100000220165_100020610796 [0,1,0,0,0,0|2,0,1]=4 314 B15R1.1353 CCN(c1ccc(cc1)F)C(C)C(=O)O 269956a_100011202447_100000210202 [0,1,0,0,0,0|2,1,0]=4 315 B15R1.3128 CC(=O)NC(CO)c1ccc(c(c1)Cl)Cl 240690a_100011404344_100015343762 [0,1,0,0,0,0|3,0,0]=4 316 B15R1.3128 CC(=O)NC(CO)c1ccc(c(c1)Cl)Cl 527a_100011404344_100103153847 [0,1,0,0,0,0|3,0,0]=4 317 B15R1.3128 CNC(CC(=O)O)c1ccc(c(c1)C)C 269956a_100011338279_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B15R1.3128 CNC(CC(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100011224105_200000210301 [0,1,0,0,0,0|2,0,0]=3 319 B15R1.3128 Cc1ccc(cc1C)C(CC(=O)O)N[13CH3] 269956a_100011338279_200025704644 [0,1,0,0,0,0|3,0,0]=4 320 B15R1.3128 [13CH3]NC(CC(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100011224105_200025704644 [0,1,0,0,0,0|2,0,0]=3 321 B15R1.3826 C=CC(=O)N[C@@H](CC)c1ccc(cc1)Cl 1626a_100015186824_100000185746 [0,1,0,0,0,0|3,0,0]=4 322 B15R1.3826 C=CC(=O)N[C@@H](CC)c1ccc(cc1)Cl 240690a_100015186824_200121576911 [0,1,0,0,0,0|3,0,0]=4 323 B15R1.3826 C=CC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_200121576911 [0,1,0,0,0,0|3,0,0]=4 324 B15R1.3826 CC(CO)OC(CN)c1ccc(cc1)Cl 34a_100000736658_100012180447 [0,1,0,0,0,0|2,0,1]=4 325 B15R1.3826 CCC(=O)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000747405 [0,1,0,0,0,0|3,0,0]=4 326 B15R1.3826 CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 11a_100015186824_100000210414 [0,1,0,0,0,0|3,0,0]=4 327 B15R1.3826 CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 1626a_100015186824_100000210414 [0,1,0,0,0,0|3,0,0]=4 328 B15R1.3826 CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 240690a_100015186824_100000210414 [0,1,0,0,0,0|3,0,0]=4 329 B15R1.3826 CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 527a_100015186824_100000210414 [0,1,0,0,0,0|3,0,0]=4 330 B15R1.3826 CCC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100000210414 [0,1,0,0,0,0|3,0,0]=4 331 B15R1.3826 CCC(=O)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100000210414 [0,1,0,0,0,0|3,0,0]=4 332 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)C 240690a_100000749201_100000210174 [0,1,0,0,0,0|3,0,0]=4 333 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)C 527a_100000749201_100000210174 [0,1,0,0,0,0|3,0,0]=4 334 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)F 240690a_100011191751_100000210174 [0,1,0,0,0,0|2,1,0]=4 335 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)F 527a_100011191751_100000210174 [0,1,0,0,0,0|2,1,0]=4 336 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)O 240690a_100015187210_100000210174 [0,1,0,0,0,0|3,0,0]=4 337 B15R1.3826 CCC(NC(=O)CO)c1ccc(cc1)O 527a_100015187210_100000210174 [0,1,0,0,0,0|3,0,0]=4 338 B15R1.3826 CCN(CC(=O)NC)c1ccc(cc1)Cl 2230a_100000220165_100000183359 [0,1,0,0,0,0|3,0,0]=4 339 B15R1.3826 CCN(CC(=O)NC)c1ccc(cc1)Cl 269982a_100000220165_100000183359 [0,1,0,0,0,0|3,0,0]=4 340 B15R1.3826 CCN(CC(=O)NC)c1ccc(cc1)Cl 34a_100000220165_100000183359 [0,1,0,0,0,0|3,0,0]=4 341 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Br 2230a_100000219632_100000747449 [0,1,0,0,0,0|2,1,0]=4 342 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Br 269982a_100000219632_100000747449 [0,1,0,0,0,0|2,1,0]=4 343 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Br 34a_100000219632_100000747449 [0,1,0,0,0,0|2,1,0]=4 344 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)C 2230a_100000219985_100000747449 [0,1,0,0,0,0|3,0,0]=4 345 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)C 269982a_100000219985_100000747449 [0,1,0,0,0,0|3,0,0]=4 346 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)C 34a_100000219985_100000747449 [0,1,0,0,0,0|3,0,0]=4 347 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Cl 2230a_100000220165_100000747449 [0,1,0,0,0,0|2,0,0]=3 348 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Cl 269982a_100000220165_100000747449 [0,1,0,0,0,0|2,0,0]=3 349 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)Cl 34a_100000220165_100000747449 [0,1,0,0,0,0|2,0,0]=3 350 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)F 2230a_100102640331_100000747449 [0,1,0,0,0,0|2,1,0]=4 351 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)F 269982a_100102640331_100000747449 [0,1,0,0,0,0|2,1,0]=4 352 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)F 34a_100102640331_100000747449 [0,1,0,0,0,0|2,1,0]=4 353 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)O 2230a_100011337800_100000747449 [0,1,0,0,0,0|3,0,0]=4 354 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)O 269982a_100011337800_100000747449 [0,1,0,0,0,0|3,0,0]=4 355 B15R1.3826 CCN(CC(=O)OC)c1ccc(cc1)O 34a_100011337800_100000747449 [0,1,0,0,0,0|3,0,0]=4 356 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Br 240690a_100025736560_100000210174 [0,1,0,0,0,0|2,1,0]=4 357 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Br 527a_100025736560_100000210174 [0,1,0,0,0,0|2,1,0]=4 358 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Cl 240690a_100015186824_100000210174 [0,1,0,0,0,0|2,0,0]=3 359 B15R1.3826 CC[C@H](NC(=O)CO)c1ccc(cc1)Cl 527a_100015186824_100000210174 [0,1,0,0,0,0|2,0,0]=3 360 B15R1.3826 CC[C@H](NC(=O)NC)c1ccc(cc1)Cl 2708a_100015186824_106832991635 [0,1,0,0,0,0|3,0,0]=4 361 B15R1.3826 CC[C@H](NC(=O)NC)c1ccc(cc1)Cl 2708a_100102657272_100015186824 [0,1,0,0,0,0|3,0,0]=4 362 B15R1.3826 CC[C@H](NC(=O)NC)c1ccc(cc1)Cl 273464a_100015186824_100102657272 [0,1,0,0,0,0|3,0,0]=4 363 B15R1.3826 CC[C@H](NC(=O)NC)c1ccc(cc1)Cl 273464a_100102657272_100015186824 [0,1,0,0,0,0|3,0,0]=4 364 B15R1.3826 CC[C@H](NC(=O)NC)c1ccc(cc1)Cl 512a_100015186824_100102657272 [0,1,0,0,0,0|3,0,0]=4 365 B15R1.3826 CC[C@H](NC(=O)NC)c1ccc(cc1)Cl 512a_106832991638_100015186824 [0,1,0,0,0,0|3,0,0]=4 366 B15R1.3826 CNC(=O)N[C@H](CO)c1ccc(cc1)Cl 2708a_100102657272_100009818818 [0,1,0,0,0,0|3,0,0]=4 367 B15R1.3826 CNC(=O)N[C@H](CO)c1ccc(cc1)Cl 273464a_100009818818_100102657272 [0,1,0,0,0,0|3,0,0]=4 368 B15R1.3826 CNC(=O)N[C@H](CO)c1ccc(cc1)Cl 273464a_100102657272_100009818818 [0,1,0,0,0,0|3,0,0]=4 369 B15R1.3826 CNC(=O)N[C@H](CO)c1ccc(cc1)Cl 512a_106832991638_100009818818 [0,1,0,0,0,0|3,0,0]=4 370 B15R1.3826 Cc1ccc(cc1)[C@H](CO)NC(=O)CO 240690a_100009818840_100000210174 [0,1,0,0,0,0|3,0,0]=4 371 B15R1.3826 Cc1ccc(cc1)[C@H](CO)NC(=O)CO 527a_100009818840_100000210174 [0,1,0,0,0,0|3,0,0]=4 372 B15R1.3826 N#CC(NC(=O)CO)c1ccc(cc1)Cl 240690a_100000747793_100000210174 [0,1,0,0,0,0|1,0,2]=4 373 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100000210174 [0,1,0,0,0,0|2,1,0]=4 374 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)Br 527a_100000734186_100000210174 [0,1,0,0,0,0|2,1,0]=4 375 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)F 240690a_100000705410_100000210174 [0,1,0,0,0,0|2,1,0]=4 376 B15R1.3826 O=C(CO)NC(CO)c1ccc(cc1)F 527a_100000705410_100000210174 [0,1,0,0,0,0|2,1,0]=4 377 B15R1.3826 O=C(CO)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100000210174 [0,1,0,0,0,0|2,0,0]=3 378 B15R1.3826 O=C(CO)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100000210174 [0,1,0,0,0,0|2,0,0]=3 379 B15R1.14004 CCN(CC(=O)N)c1ccc(cc1Cl)Cl 269982a_100160557746_100000187820 [0,1,0,0,0,0|3,0,0]=4 380 B15R1.14004 CCN(CC(=O)N)c1ccc(cc1Cl)Cl 34a_100160557746_100000187820 [0,1,0,0,0,0|3,0,0]=4 381 B15R1.14004 CCN(CC(=O)[O-])c1ccc(cc1Cl)Cl 269982a_100160557746_100020667443 [0,1,0,0,0,0|2,0,1]=4 382 B15R1.14004 CCN(CC(=O)[O-])c1ccc(cc1Cl)Cl 34a_100160557746_100020667443 [0,1,0,0,0,0|2,0,1]=4 383 B15R1.14004 CNC(CC(=O)O)c1ccc(cc1Cl)Cl 269956a_200011224112_200000210301 [0,1,0,0,0,0|2,0,0]=3 384 B15R1.14004 CNC(CC(=O)O)c1ccc(cc1F)F 269956a_100000759734_200000210301 [0,1,0,0,0,0|2,1,0]=4 385 B15R1.14004 [13CH3]NC(CC(=O)O)c1ccc(cc1Cl)Cl 269956a_200011224112_200025704644 [0,1,0,0,0,0|2,0,0]=3 386 B15R1.14004 [13CH3]NC(CC(=O)O)c1ccc(cc1F)F 269956a_100000759734_200025704644 [0,1,0,0,0,0|2,1,0]=4 387 B15R2.377 CC(=O)CC1COc2c1ccc(c2)O 1458a_100009846009_200000210301 [0,0,0,1,0,0|3,0,0]=4 388 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200000210301 [0,0,0,1,0,0|1,0,2]=4 389 B15R2.377 CC(=O)NC1CCc2c1ccc(c2)Cl 11a_100000743821_100015343762 [0,0,0,1,0,0|3,0,0]=4 390 B15R2.377 CC(=O)NC1CCc2c1ccc(c2)Cl 1626a_100000743821_100015343762 [0,0,0,1,0,0|3,0,0]=4 391 B15R2.377 CC(=O)NC1CCc2c1ccc(c2)Cl 240690a_100000743821_100015343762 [0,0,0,1,0,0|3,0,0]=4 392 B15R2.377 CC(=O)NC1CCc2c1ccc(c2)Cl 527a_100000743821_100103153847 [0,0,0,1,0,0|3,0,0]=4 393 B15R2.377 CC(=O)N[C@@H]1COc2c1ccc(c2)Cl 11a_100138412546_100015343762 [0,0,0,1,0,0|3,0,0]=4 394 B15R2.377 CC(=O)N[C@@H]1COc2c1ccc(c2)Cl 1626a_100138412546_100015343762 [0,0,0,1,0,0|3,0,0]=4 395 B15R2.377 CC(=O)N[C@@H]1COc2c1ccc(c2)Cl 240690a_100138412546_100015343762 [0,0,0,1,0,0|3,0,0]=4 396 B15R2.377 CC(=O)N[C@@H]1COc2c1ccc(c2)Cl 527a_100138412546_100103153847 [0,0,0,1,0,0|3,0,0]=4 397 B15R2.377 [13CH3]C(=O)CC1COc2c1ccc(c2)O 1458a_100009846009_200025704644 [0,0,0,1,0,0|3,0,0]=4 398 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200025704644 [0,0,0,1,0,0|1,0,2]=4 399 B15R2.18917 CC(=O)NC1(CC1)c2ccc(cc2)Cl 11a_100015183379_100015343762 [0,0,0,1,0,0|3,0,0]=4 400 B15R2.18917 CC(=O)NC1(CC1)c2ccc(cc2)Cl 1626a_100015183379_100015343762 [0,0,0,1,0,0|3,0,0]=4 401 B15R2.18917 CC(=O)NC1(CC1)c2ccc(cc2)Cl 240690a_100015183379_100015343762 [0,0,0,1,0,0|3,0,0]=4 402 B15R2.18917 CC(=O)NC1(CC1)c2ccc(cc2)Cl 527a_100015183379_100103153847 [0,0,0,1,0,0|3,0,0]=4 403 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,0,0,0,1,0|2,1,0]=4 404 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,0,0,0,1,0|2,1,0]=4 405 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 11a_100000220165_100015343762 [0,0,0,0,1,0|3,0,0]=4 406 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 1626a_100000220165_100015343762 [0,0,0,0,1,0|3,0,0]=4 407 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 22a_100000220165_100000070787 [0,0,0,0,1,0|3,0,0]=4 408 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,0,0,0,1,0|2,1,0]=4 409 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,0,0,0,1,0|3,0,0]=4 410 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,0,0,0,1,0|2,0,0]=3 411 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,0,0,0,1,0|2,1,0]=4 412 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,0,0,0,1,0|3,0,0]=4 413 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,0,0,0,1,0|3,0,0]=4 414 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,0,0,0,1,0|3,0,0]=4 415 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,0,0,0,1,0|2,1,0]=4 416 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,0,0,0,1,0|2,0,0]=3 417 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,0,0,0,1,0|2,1,0]=4 418 B15R1.656 CC(=O)NC(CO)Cc1ccc(cc1)Cl 240690a_100025702442_100015343762 [0,0,0,0,0,1|3,0,0]=4 419 B15R1.656 CC(=O)NC(CO)Cc1ccc(cc1)Cl 527a_100025702442_100103153847 [0,0,0,0,0,1|3,0,0]=4 420 B15R1.656 CCN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000180830_100000747473 [0,0,0,0,0,1|3,0,0]=4 421 B15R1.656 CCN(CC(=O)N)Cc1ccc(cc1)Cl 269982a_100000180830_100000187820 [0,0,0,0,0,1|3,0,0]=4 422 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746405_100011217064 [0,0,0,0,0,1|2,1,0]=4 423 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)C 269956a_100000746405_100000210814 [0,0,0,0,0,1|3,0,0]=4 424 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746405_100000187161 [0,0,0,0,0,1|2,0,0]=3 425 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000210202 [0,0,0,0,0,1|2,0,0]=3 426 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746405_100000198546 [0,0,0,0,0,1|2,1,0]=4 427 B15R1.656 CCN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746405_100000189116 [0,0,0,0,0,1|2,1,0]=4 428 B15R1.656 CCN(CC(=O)O)Cc1ccc(cn1)Cl 269956a_100000746405_100012066911 [0,0,0,0,0,1|3,0,0]=4 429 B15R1.656 CCN(CC(=O)O)Cc1ccc(nc1)Cl 269956a_100000746405_100000735431 [0,0,0,0,0,1|3,0,0]=4 430 B15R1.656 CCN(CC(=O)[O-])Cc1ccc(cc1)Cl 269982a_100000180830_100020667443 [0,0,0,0,0,1|2,0,1]=4 431 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200000210301 [0,0,0,0,0,1|2,0,0]=3 432 B15R1.656 CN[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200000210301 [0,0,0,0,0,1|2,1,0]=4 433 B15R1.656 O=C(O)CN(CF)Cc1ccc(cc1)Cl 269956a_100000756320_100015361967 [0,0,0,0,0,1|2,0,0]=3 434 B15R1.656 O=C([O-])CN(CO)Cc1ccc(cc1)Cl 269956a_100016989150_100000187161 [0,0,0,0,0,1|2,0,1]=4 435 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_200025704644 [0,0,0,0,0,1|2,0,0]=3 436 B15R1.656 [13CH3]N[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_200025704644 [0,0,0,0,0,1|2,1,0]=4 437 B15R1.659 C#CC(OCC(=O)N)c1ccc(cc1)Cl 34a_100011470666_100000187820 [0,0,0,0,0,1|2,0,1]=4 438 B15R1.659 C#CC(OCC(=O)N)c1ccc(cc1)Cl 7a_100011470666_100000187820 [0,0,0,0,0,1|2,0,1]=4 439 B15R1.659 C#CC(OCC(=O)[O-])c1ccc(cc1)Cl 34a_100011470666_100020667443 [0,0,0,0,0,1|1,0,2]=4 440 B15R1.659 C=C(C)CN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000748629 [0,0,0,0,0,1|3,0,0]=4 441 B15R1.659 C=C(C)CN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000748629 [0,0,0,0,0,1|3,0,0]=4 442 B15R1.659 C=C(C)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000748629 [0,0,0,0,0,1|3,0,0]=4 443 B15R1.659 C=C(C)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000748629 [0,0,0,0,0,1|3,0,0]=4 444 B15R1.659 C=C(C)COC(CC)c1ccc(cc1)Cl 34a_100000246471_100000748629 [0,0,0,0,0,1|3,0,0]=4 445 B15R1.659 C=C(C)COC(CC)c1ccc(cc1)Cl 7a_100000246471_100000748629 [0,0,0,0,0,1|3,0,0]=4 446 B15R1.659 C=C(C)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000748629 [0,0,0,0,0,1|3,0,0]=4 447 B15R1.659 C=C(C)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000748629 [0,0,0,0,0,1|3,0,0]=4 448 B15R1.659 C=C(C)COC(CN)c1ccc(cc1)Br 34a_100020626992_100000748629 [0,0,0,0,0,1|2,1,0]=4 449 B15R1.659 C=C(C)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000748629 [0,0,0,0,0,1|2,0,0]=3 450 B15R1.659 C=C(F)CN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100009893438 [0,0,0,0,0,1|3,0,0]=4 451 B15R1.659 C=C(F)CN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100009893438 [0,0,0,0,0,1|3,0,0]=4 452 B15R1.659 C=C(F)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100009893438 [0,0,0,0,0,1|3,0,0]=4 453 B15R1.659 C=C(F)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100009893438 [0,0,0,0,0,1|3,0,0]=4 454 B15R1.659 C=C(F)COC(CC)c1ccc(cc1)Cl 34a_100000246471_100009893438 [0,0,0,0,0,1|3,0,0]=4 455 B15R1.659 C=C(F)COC(CC)c1ccc(cc1)Cl 7a_100000246471_100000042424 [0,0,0,0,0,1|3,0,0]=4 456 B15R1.659 C=C(F)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100009893438 [0,0,0,0,0,1|3,0,0]=4 457 B15R1.659 C=C(F)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000042424 [0,0,0,0,0,1|3,0,0]=4 458 B15R1.659 C=C(F)COC(CN)c1ccc(cc1)Br 34a_100020626992_100009893438 [0,0,0,0,0,1|2,1,0]=4 459 B15R1.659 C=C(F)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100009893438 [0,0,0,0,0,1|2,0,0]=3 460 B15R1.659 CC(C)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210624 [0,0,0,0,0,1|2,0,1]=4 461 B15R1.659 CC(O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100011218427 [0,0,0,0,0,1|2,0,1]=4 462 B15R1.659 CC(O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100011218427 [0,0,0,0,0,1|2,0,1]=4 463 B15R1.659 CC(O)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100011218427 [0,0,0,0,0,1|2,0,1]=4 464 B15R1.659 CC(O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100011218427 [0,0,0,0,0,1|2,0,1]=4 465 B15R1.659 CC(O)COC(CN)c1ccc(cc1)Br 34a_100020626992_100011218427 [0,0,0,0,0,1|1,1,1]=4 466 B15R1.659 CC(O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100011218427 [0,0,0,0,0,1|1,0,1]=3 467 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)C 2230a_100000749201_100000747473 [0,0,0,0,0,1|3,0,0]=4 468 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)C 34a_100000749201_100000187820 [0,0,0,0,0,1|3,0,0]=4 469 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)F 2230a_100011191751_100000747473 [0,0,0,0,0,1|2,1,0]=4 470 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)F 34a_100011191751_100000187820 [0,0,0,0,0,1|2,1,0]=4 471 B15R1.659 CCC(NCC(=O)N)c1ccc(cc1)O 34a_100015187210_100000187820 [0,0,0,0,0,1|3,0,0]=4 472 B15R1.659 CCC(NCC(=O)[O-])c1ccc(cc1)C 34a_100000749201_100020667443 [0,0,0,0,0,1|2,0,1]=4 473 B15R1.659 CCC(NCC(=O)[O-])c1ccc(cc1)F 34a_100011191751_100020667443 [0,0,0,0,0,1|1,1,1]=4 474 B15R1.659 CCC(NCC(=O)[O-])c1ccc(cc1)O 34a_100015187210_100020667443 [0,0,0,0,0,1|2,0,1]=4 475 B15R1.659 CCC(NCC(C)O)c1ccc(cc1)Cl 269862a_100000210904_100000210983 [0,0,0,0,0,1|2,0,1]=4 476 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Br 34a_100000246506_100000187820 [0,0,0,0,0,1|2,1,0]=4 477 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Br 7a_100000246506_100000187820 [0,0,0,0,0,1|2,1,0]=4 478 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)C 34a_100000246521_100000187820 [0,0,0,0,0,1|3,0,0]=4 479 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)C 7a_100000246521_100000187820 [0,0,0,0,0,1|3,0,0]=4 480 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Cl 34a_100000246471_100000187820 [0,0,0,0,0,1|2,0,0]=3 481 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)Cl 7a_100000246471_100000187820 [0,0,0,0,0,1|2,0,0]=3 482 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)F 34a_100000246474_100000187820 [0,0,0,0,0,1|2,1,0]=4 483 B15R1.659 CCC(OCC(=O)N)c1ccc(cc1)F 7a_100000246474_100000187820 [0,0,0,0,0,1|2,1,0]=4 484 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100000246506_100020667443 [0,0,0,0,0,1|1,1,1]=4 485 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)C 34a_100000246521_100020667443 [0,0,0,0,0,1|2,0,1]=4 486 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)Cl 34a_100000246471_100020667443 [0,0,0,0,0,1|1,0,1]=3 487 B15R1.659 CCC(OCC(=O)[O-])c1ccc(cc1)F 34a_100000246474_100020667443 [0,0,0,0,0,1|1,1,1]=4 488 B15R1.659 CCC(OCC(C)O)c1ccc(cc1)Cl 34a_100000246471_100011218427 [0,0,0,0,0,1|2,0,1]=4 489 B15R1.659 CCC(OCC(C)O)c1ccc(cc1)Cl 7a_100000246471_100011218427 [0,0,0,0,0,1|2,0,1]=4 490 B15R1.659 CCC(OC[C@@H](C)O)c1ccc(cc1)Cl 34a_100000246471_100009817552 [0,0,0,0,0,1|2,0,1]=4 491 B15R1.659 CCC(OC[C@@H](C)O)c1ccc(cc1)Cl 7a_100000246471_100009817552 [0,0,0,0,0,1|2,0,1]=4 492 B15R1.659 CCC(OC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100000246471_100000761209 [0,0,0,0,0,1|2,0,1]=4 493 B15R1.659 CCN(CCC(=O)C)c1ccc(cc1)Cl 269982a_100000220165_100000053229 [0,0,0,0,0,1|3,0,0]=4 494 B15R1.659 CCN(CCC(=O)N)c1ccc(cc1)Cl 2230a_100000220165_100000744528 [0,0,0,0,0,1|3,0,0]=4 495 B15R1.659 CCN(CCC(=O)N)c1ccc(cc1)Cl 269982a_100000220165_100000744528 [0,0,0,0,0,1|3,0,0]=4 496 B15R1.659 CCN(CCC(=O)N)c1ccc(cc1)Cl 34a_100000220165_100000731001 [0,0,0,0,0,1|3,0,0]=4 497 B15R1.659 CCN(COC(=O)C)c1ccc(cc1)Cl 269982a_100000220165_100000076356 [0,0,0,0,0,1|3,0,0]=4 498 B15R1.659 CCN(COC(=O)C)c1ccc(cc1)Cl 34a_100000220165_100009813279 [0,0,0,0,0,1|3,0,0]=4 499 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100025736560_100000747473 [0,0,0,0,0,1|2,1,0]=4 500 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Br 34a_100025736560_100000187820 [0,0,0,0,0,1|2,1,0]=4 501 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015186824_100000747473 [0,0,0,0,0,1|2,0,0]=3 502 B15R1.659 CC[C@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015186824_100000187820 [0,0,0,0,0,1|2,0,0]=3 503 B15R1.659 CC[C@H](NCC(=O)[O-])c1ccc(cc1)Br 34a_100025736560_100020667443 [0,0,0,0,0,1|1,1,1]=4 504 B15R1.659 CC[C@H](NCC(=O)[O-])c1ccc(cc1)Cl 34a_100015186824_100020667443 [0,0,0,0,0,1|1,0,1]=3 505 B15R1.659 CC[C@H](NCC(C)O)c1ccc(cc1)Cl 2230a_100015186824_100011218427 [0,0,0,0,0,1|2,0,1]=4 506 B15R1.659 CC[C@H](NCC(C)O)c1ccc(cc1)Cl 34a_100015186824_100011218427 [0,0,0,0,0,1|2,0,1]=4 507 B15R1.659 CC[C@H](NC[C@@H](C)O)c1ccc(cc1)Cl 2230a_100015186824_100009817552 [0,0,0,0,0,1|2,0,1]=4 508 B15R1.659 CC[C@H](NC[C@@H](C)O)c1ccc(cc1)Cl 34a_100015186824_100009817552 [0,0,0,0,0,1|2,0,1]=4 509 B15R1.659 CC[C@H](NC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100015186824_100000761209 [0,0,0,0,0,1|2,0,1]=4 510 B15R1.659 C[C@@H](O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100009817552 [0,0,0,0,0,1|2,0,1]=4 511 B15R1.659 C[C@@H](O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100009817552 [0,0,0,0,0,1|2,0,1]=4 512 B15R1.659 C[C@@H](O)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100009817552 [0,0,0,0,0,1|2,0,1]=4 513 B15R1.659 C[C@@H](O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100009817552 [0,0,0,0,0,1|2,0,1]=4 514 B15R1.659 C[C@@H](O)COC(CN)c1ccc(cc1)Br 34a_100020626992_100009817552 [0,0,0,0,0,1|1,1,1]=4 515 B15R1.659 C[C@@H](O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100009817552 [0,0,0,0,0,1|1,0,1]=3 516 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)N 2230a_100009818840_100000747473 [0,0,0,0,0,1|3,0,0]=4 517 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)N 34a_100009818840_100000187820 [0,0,0,0,0,1|3,0,0]=4 518 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)[O-] 34a_100009818840_100020667443 [0,0,0,0,0,1|2,0,1]=4 519 B15R1.659 N#CC(NCC(=O)N)c1ccc(cc1)Cl 2230a_100000747793_100000747473 [0,0,0,0,0,1|1,0,2]=4 520 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000747473 [0,0,0,0,0,1|2,1,0]=4 521 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)Br 34a_100000734186_100000187820 [0,0,0,0,0,1|2,1,0]=4 522 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)F 2230a_100000705410_100000747473 [0,0,0,0,0,1|2,1,0]=4 523 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)F 34a_100000705410_100000187820 [0,0,0,0,0,1|2,1,0]=4 524 B15R1.659 NC(=O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000747473 [0,0,0,0,0,1|2,0,0]=3 525 B15R1.659 NC(=O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000187820 [0,0,0,0,0,1|2,0,0]=3 526 B15R1.659 NC(=O)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000187820 [0,0,0,0,0,1|2,0,0]=3 527 B15R1.659 NC(=O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000187820 [0,0,0,0,0,1|2,0,0]=3 528 B15R1.659 NC(=O)CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000187820 [0,0,0,0,0,1|2,1,0]=4 529 B15R1.659 NC(=O)CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000187820 [0,0,0,0,0,1|2,1,0]=4 530 B15R1.659 NCC(OCC(=O)N)c1ccc(cc1)Br 34a_100020626992_100000187820 [0,0,0,0,0,1|1,1,0]=3 531 B15R1.659 NCC(OCC(=O)N)c1ccc(cc1)Cl 34a_100000736658_100000187820 [0,0,0,0,0,1|1,0,0]=2 532 B15R1.659 NCC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100020626992_100020667443 [0,0,0,0,0,1|0,1,1]=3 533 B15R1.659 NCC(OCC(=O)[O-])c1ccc(cc1)Cl 34a_100000736658_100020667443 [0,0,0,0,0,1|0,0,1]=2 534 B15R1.659 NCC(OCC(F)F)c1ccc(cc1)Cl 34a_100000736658_100011934356 [0,0,0,0,0,1|2,0,1]=4 535 B15R1.659 NCC(OC[N+](=O)[O-])c1ccc(cc1)Br 34a_100020626992_100000761209 [0,0,0,0,0,1|1,1,1]=4 536 B15R1.659 NCC(OC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100000736658_100000761209 [0,0,0,0,0,1|1,0,1]=3 537 B15R1.659 O=C([O-])CNC(CO)c1ccc(cc1)Br 34a_100000734186_100020667443 [0,0,0,0,0,1|1,1,1]=4 538 B15R1.659 O=C([O-])CNC(CO)c1ccc(cc1)F 34a_100000705410_100020667443 [0,0,0,0,0,1|1,1,1]=4 539 B15R1.659 O=C([O-])CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100020667443 [0,0,0,0,0,1|1,0,1]=3 540 B15R1.659 O=C([O-])COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100020667443 [0,0,0,0,0,1|1,0,1]=3 541 B15R1.659 O=C([O-])CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100020667443 [0,0,0,0,0,1|1,1,1]=4 542 B15R1.659 O=[N+]([O-])CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000761209 [0,0,0,0,0,1|2,0,1]=4 543 B15R1.659 O=[N+]([O-])COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000761209 [0,0,0,0,0,1|2,0,1]=4 544 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [2,0,0,0,0,0|2,0,0]=4 545 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [2,0,0,0,0,0|2,0,0]=4 546 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [2,0,0,0,0,0|2,0,0]=4 547 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [2,0,0,0,0,0|2,0,0]=4 548 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [2,0,0,0,0,0|2,0,0]=4 549 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [2,0,0,0,0,0|1,0,1]=4 550 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [2,0,0,0,0,0|2,0,0]=4 551 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [2,0,0,0,0,0|2,0,0]=4 552 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [2,0,0,0,0,0|1,0,1]=4 553 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [2,0,0,0,0,0|2,0,0]=4 554 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [2,0,0,0,0,0|2,0,0]=4 555 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [2,0,0,0,0,0|2,0,0]=4 556 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [2,0,0,0,0,0|1,1,0]=4 557 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [2,0,0,0,0,0|1,1,0]=4 558 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [2,0,0,0,0,0|1,1,0]=4 559 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [2,0,0,0,0,0|1,0,0]=3 560 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [2,0,0,0,0,0|1,0,0]=3 561 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [2,0,0,0,0,0|1,0,0]=3 562 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [2,0,0,0,0,0|1,1,0]=4 563 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [2,0,0,0,0,0|1,1,0]=4 564 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [2,0,0,0,0,0|1,1,0]=4 565 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [2,0,0,0,0,0|1,1,0]=4 566 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [2,0,0,0,0,0|1,1,0]=4 567 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [2,0,0,0,0,0|1,1,0]=4 568 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [2,0,0,0,0,0|2,0,0]=4 569 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [2,0,0,0,0,0|2,0,0]=4 570 B12R1.16 CN(CCO)c1ccc(cc1)Cl 2230a_100020629279_100000211926 [2,0,0,0,0,0|1,0,1]=4 571 B12R1.16 CN(CCO)c1ccc(cc1)Cl 269982a_100020629279_100000211926 [2,0,0,0,0,0|1,0,1]=4 572 B12R1.16 CN(CCO)c1ccc(cc1)Cl 34a_100020629279_100000211926 [2,0,0,0,0,0|1,0,1]=4 573 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [2,0,0,0,0,0|2,0,0]=4 574 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [2,0,0,0,0,0|2,0,0]=4 575 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [2,0,0,0,0,0|2,0,0]=4 576 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [2,0,0,0,0,0|2,0,0]=4 577 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [2,0,0,0,0,0|1,0,1]=4 578 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [2,0,0,0,0,0|2,0,0]=4 579 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [2,0,0,0,0,0|1,1,0]=4 580 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [2,0,0,0,0,0|1,1,0]=4 581 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [2,0,0,0,0,0|2,0,0]=4 582 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [2,0,0,0,0,0|2,0,0]=4 583 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [2,0,0,0,0,0|1,0,0]=3 584 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [2,0,0,0,0,0|1,0,0]=3 585 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [2,0,0,0,0,0|1,1,0]=4 586 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [2,0,0,0,0,0|1,1,0]=4 587 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [2,0,0,0,0,0|1,1,0]=4 588 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [2,0,0,0,0,0|2,0,0]=4 589 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [2,0,0,0,0,0|2,0,0]=4 590 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [2,0,0,0,0,0|2,0,0]=4 591 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [2,0,0,0,0,0|2,0,0]=4 592 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [2,0,0,0,0,0|2,0,0]=4 593 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [2,0,0,0,0,0|2,0,0]=4 594 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [2,0,0,0,0,0|2,0,0]=4 595 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [2,0,0,0,0,0|2,0,0]=4 596 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [2,0,0,0,0,0|2,0,0]=4 597 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [2,0,0,0,0,0|2,0,0]=4 598 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [2,0,0,0,0,0|2,0,0]=4 599 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [2,0,0,0,0,0|2,0,0]=4 600 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [2,0,0,0,0,0|2,0,0]=4 601 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [2,0,0,0,0,0|2,0,0]=4 602 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [2,0,0,0,0,0|2,0,0]=4 603 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [2,0,0,0,0,0|2,0,0]=4 604 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [2,0,0,0,0,0|2,0,0]=4 605 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [2,0,0,0,0,0|1,0,1]=4 606 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [2,0,0,0,0,0|1,0,1]=4 607 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [2,0,0,0,0,0|1,0,1]=4 608 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [2,0,0,0,0,0|1,0,1]=4 609 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [2,0,0,0,0,0|1,1,0]=4 610 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [2,0,0,0,0,0|1,0,0]=3 611 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [2,0,0,0,0,0|1,1,0]=4 612 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [2,0,0,0,0,0|1,1,0]=4 613 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [2,0,0,0,0,0|2,0,0]=4 614 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [2,0,0,0,0,0|2,0,0]=4 615 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [2,0,0,0,0,0|2,0,0]=4 616 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [2,0,0,0,0,0|1,0,0]=3 617 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [2,0,0,0,0,0|1,0,0]=3 618 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [2,0,0,0,0,0|2,0,0]=4 619 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [2,0,0,0,0,0|2,0,0]=4 620 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [2,0,0,0,0,0|2,0,0]=4 621 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [2,0,0,0,0,0|2,0,0]=4 622 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [2,0,0,0,0,0|2,0,0]=4 623 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [2,0,0,0,0,0|2,0,0]=4 624 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [2,0,0,0,0,0|2,0,0]=4 625 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [2,0,0,0,0,0|2,0,0]=4 626 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [2,0,0,0,0,0|1,0,0]=3 627 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [2,0,0,0,0,0|2,0,0]=4 628 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [2,0,0,0,0,0|2,0,0]=4 629 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [2,0,0,0,0,0|2,0,0]=4 630 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [2,0,0,0,0,0|2,0,0]=4 631 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [2,0,0,0,0,0|2,0,0]=4 632 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [2,0,0,0,0,0|1,0,0]=3 633 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [2,0,0,0,0,0|2,0,0]=4 634 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [2,0,0,0,0,0|1,0,1]=4 635 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [2,0,0,0,0,0|1,0,1]=4 636 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [2,0,0,0,0,0|2,0,0]=4 637 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [2,0,0,0,0,0|2,0,0]=4 638 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [2,0,0,0,0,0|2,0,0]=4 639 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [2,0,0,0,0,0|1,0,0]=3 640 B14R1.21 C#CC(OCC=O)c1ccc(cc1)Cl 34a_100011470666_200009817547 [1,1,0,0,0,0|1,0,1]=4 641 B14R1.21 C#CC(OCC=O)c1ccc(cc1)Cl 7a_100011470666_200015260668 [1,1,0,0,0,0|1,0,1]=4 642 B14R1.21 C#CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000184674 [1,1,0,0,0,0|1,0,1]=4 643 B14R1.21 C=CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210623 [1,1,0,0,0,0|2,0,0]=4 644 B14R1.21 C=CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100015514636 [1,1,0,0,0,0|2,0,0]=4 645 B14R1.21 C=CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210623 [1,1,0,0,0,0|2,0,0]=4 646 B14R1.21 C=CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100015514636 [1,1,0,0,0,0|2,0,0]=4 647 B14R1.21 C=CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100015514636 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.21 C=CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100015514636 [1,1,0,0,0,0|2,0,0]=4 649 B14R1.21 C=CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100015514636 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.21 C=CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100015514636 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.21 C=CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100015514636 [1,1,0,0,0,0|1,1,0]=4 652 B14R1.21 C=CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100015514636 [1,1,0,0,0,0|1,0,0]=3 653 B14R1.21 CCC(NCC=O)c1ccc(cc1)C 2230a_100000749201_200015260668 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.21 CCC(NCC=O)c1ccc(cc1)C 34a_100000749201_200009817547 [1,1,0,0,0,0|2,0,0]=4 655 B14R1.21 CCC(NCC=O)c1ccc(cc1)F 2230a_100011191751_200015260668 [1,1,0,0,0,0|1,1,0]=4 656 B14R1.21 CCC(NCC=O)c1ccc(cc1)F 34a_100011191751_200009817547 [1,1,0,0,0,0|1,1,0]=4 657 B14R1.21 CCC(NCC=O)c1ccc(cc1)O 34a_100015187210_200009817547 [1,1,0,0,0,0|2,0,0]=4 658 B14R1.21 CCC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000210983 [1,1,0,0,0,0|1,0,1]=4 659 B14R1.21 CCC(OCC=O)c1ccc(cc1)Br 34a_100000246506_200009817547 [1,1,0,0,0,0|1,1,0]=4 660 B14R1.21 CCC(OCC=O)c1ccc(cc1)Br 7a_100000246506_200015260668 [1,1,0,0,0,0|1,1,0]=4 661 B14R1.21 CCC(OCC=O)c1ccc(cc1)C 34a_100000246521_200009817547 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.21 CCC(OCC=O)c1ccc(cc1)C 7a_100000246521_200015260668 [1,1,0,0,0,0|2,0,0]=4 663 B14R1.21 CCC(OCC=O)c1ccc(cc1)Cl 34a_100000246471_200009817547 [1,1,0,0,0,0|1,0,0]=3 664 B14R1.21 CCC(OCC=O)c1ccc(cc1)Cl 7a_100000246471_200015260668 [1,1,0,0,0,0|1,0,0]=3 665 B14R1.21 CCC(OCC=O)c1ccc(cc1)F 34a_100000246474_200009817547 [1,1,0,0,0,0|1,1,0]=4 666 B14R1.21 CCC(OCC=O)c1ccc(cc1)F 7a_100000246474_200015260668 [1,1,0,0,0,0|1,1,0]=4 667 B14R1.21 CCC(OCCO)c1ccc(cc1)Cl 34a_100000246471_100000211926 [1,1,0,0,0,0|1,0,1]=4 668 B14R1.21 CCC(OCCO)c1ccc(cc1)Cl 7a_100000246471_100000211926 [1,1,0,0,0,0|1,0,1]=4 669 B14R1.21 CCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210303 [1,1,0,0,0,0|1,0,1]=4 670 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Br 2230a_100025736560_200015260668 [1,1,0,0,0,0|1,1,0]=4 671 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Br 34a_100025736560_200009817547 [1,1,0,0,0,0|1,1,0]=4 672 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Cl 2230a_100015186824_200015260668 [1,1,0,0,0,0|1,0,0]=3 673 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Cl 34a_100015186824_200009817547 [1,1,0,0,0,0|1,0,0]=3 674 B14R1.21 CC[C@H](NCCO)c1ccc(cc1)Cl 2230a_100015186824_100000211926 [1,1,0,0,0,0|1,0,1]=4 675 B14R1.21 CC[C@H](NCCO)c1ccc(cc1)Cl 34a_100015186824_100000211926 [1,1,0,0,0,0|1,0,1]=4 676 B14R1.21 CSCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100011218213 [1,1,0,0,0,0|2,0,0]=4 677 B14R1.21 Cc1ccc(cc1)[C@H](CO)NCC=O 2230a_100009818840_200015260668 [1,1,0,0,0,0|2,0,0]=4 678 B14R1.21 Cc1ccc(cc1)[C@H](CO)NCC=O 34a_100009818840_200009817547 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.21 N#CC(NCC=O)c1ccc(cc1)Cl 2230a_100000747793_200015260668 [1,1,0,0,0,0|0,0,2]=4 680 B14R1.21 NCC(OCC=O)c1ccc(cc1)Br 34a_100020626992_200009817547 [1,1,0,0,0,0|0,1,0]=3 681 B14R1.21 NCC(OCC=O)c1ccc(cc1)Cl 34a_100000736658_200009817547 [1,1,0,0,0,0|0,0,0]=2 682 B14R1.21 NCC(OCCF)c1ccc(cc1)Cl 34a_100000736658_100011217306 [1,1,0,0,0,0|1,0,1]=4 683 B14R1.21 NCC(OCCO)c1ccc(cc1)Br 34a_100020626992_100000211926 [1,1,0,0,0,0|0,1,1]=4 684 B14R1.21 NCC(OCCO)c1ccc(cc1)Cl 34a_100000736658_100000211926 [1,1,0,0,0,0|0,0,1]=3 685 B14R1.21 O=CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_200015260668 [1,1,0,0,0,0|1,1,0]=4 686 B14R1.21 O=CCNC(CO)c1ccc(cc1)Br 34a_100000734186_200009817547 [1,1,0,0,0,0|1,1,0]=4 687 B14R1.21 O=CCNC(CO)c1ccc(cc1)F 2230a_100000705410_200015260668 [1,1,0,0,0,0|1,1,0]=4 688 B14R1.21 O=CCNC(CO)c1ccc(cc1)F 34a_100000705410_200009817547 [1,1,0,0,0,0|1,1,0]=4 689 B14R1.21 O=CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200015260668 [1,1,0,0,0,0|1,0,0]=3 690 B14R1.21 O=CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200009817547 [1,1,0,0,0,0|1,0,0]=3 691 B14R1.21 O=CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_200009817547 [1,1,0,0,0,0|1,0,0]=3 692 B14R1.21 O=CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_200015260668 [1,1,0,0,0,0|1,0,0]=3 693 B14R1.21 O=CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200009817547 [1,1,0,0,0,0|1,1,0]=4 694 B14R1.21 O=CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200015260668 [1,1,0,0,0,0|1,1,0]=4 695 B14R1.21 OCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000211926 [1,1,0,0,0,0|1,0,1]=4 696 B14R1.21 OCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000211926 [1,1,0,0,0,0|1,0,1]=4 697 B14R1.21 OCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000211926 [1,1,0,0,0,0|1,0,1]=4 698 B14R1.21 OCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000211926 [1,1,0,0,0,0|1,0,1]=4 699 B14R1.503 C=CCC(OCC)c1ccc(cc1)Cl 34a_200011466439_100000210202 [1,1,0,0,0,0|2,0,0]=4 700 B14R1.503 C=CCC(OCC)c1ccc(cc1)Cl 7a_200011466439_100000210202 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.503 C=CCC(OCF)c1ccc(cc1)Cl 34a_200011466439_100015361967 [1,1,0,0,0,0|2,0,0]=4 702 B14R1.503 C=CCC(OCF)c1ccc(cc1)Cl 7a_200011466439_100015361967 [1,1,0,0,0,0|2,0,0]=4 703 B14R1.503 CCNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_100000210202 [1,1,0,0,0,0|1,0,1]=4 704 B14R1.503 CCNC(CCO)c1ccc(cc1)Cl 34a_100000730317_100000210202 [1,1,0,0,0,0|1,0,1]=4 705 B14R1.503 OCCC(NCF)c1ccc(cc1)Cl 34a_100000730317_100015361967 [1,1,0,0,0,0|1,0,1]=4 706 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 2230a_100000749197_200015260668 [1,1,0,0,0,0|2,0,0]=4 707 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 269982a_100000749197_200015260668 [1,1,0,0,0,0|2,0,0]=4 708 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 34a_100000749197_200009817547 [1,1,0,0,0,0|2,0,0]=4 709 B14R1.508 CC(C)N(CC=O)c1ccc(cc1)Cl 7a_100000749197_200015260668 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.4654 CCN(CC=O)c1ccc(cc1Cl)Cl 269982a_100160557746_200015260668 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.4654 CCN(CC=O)c1ccc(cc1Cl)Cl 34a_100160557746_200009817547 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.2 CN(CC(=O)O)c1ccc(cc1)C#N 269956a_100000743605_200000210301 [1,1,0,0,0,0|2,0,0]=4 713 B14R1.2 COc1ccc(cc1)N(C)CC(=O)O 269956a_200011202415_200000210301 [1,1,0,0,0,0|2,0,0]=4 714 B14R1.2 COc1ccc(cc1)N([13CH3])CC(=O)O 269956a_200011202415_200025704644 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.2 [13CH3]N(CC(=O)O)c1ccc(cc1)C#N 269956a_100000743605_200025704644 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.10 C#CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000211873_200011996143 [1,1,0,0,0,0|2,0,0]=4 717 B14R1.10 C=CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000185746_200011996143 [1,1,0,0,0,0|2,0,0]=4 718 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100000185746 [1,1,0,0,0,0|2,0,0]=4 719 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_200121576911 [1,1,0,0,0,0|2,0,0]=4 720 B14R1.10 CCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000210202 [1,1,0,0,0,0|2,0,0]=4 721 B14R1.10 CCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210414_200011996143 [1,1,0,0,0,0|2,0,0]=4 722 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747405 [1,1,0,0,0,0|2,0,0]=4 723 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100000210414 [1,1,0,0,0,0|2,0,0]=4 724 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100000210414 [1,1,0,0,0,0|2,0,0]=4 725 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100000210414 [1,1,0,0,0,0|2,0,0]=4 726 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100000210414 [1,1,0,0,0,0|2,0,0]=4 727 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 11a_106832991635_100011240733 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 1626a_100102657272_100011240733 [1,1,0,0,0,0|2,0,0]=4 729 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 240690a_100102657272_100011240733 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 527a_100102657272_100011240733 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000183359 [1,1,0,0,0,0|2,0,0]=4 732 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000183359 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000183359 [1,1,0,0,0,0|2,0,0]=4 734 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 2708a_100015205461_106832991635 [1,1,0,0,0,0|2,0,0]=4 735 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 2708a_100102657272_100015205461 [1,1,0,0,0,0|2,0,0]=4 736 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 273464a_100015205461_100102657272 [1,1,0,0,0,0|2,0,0]=4 737 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 273464a_100102657272_100015205461 [1,1,0,0,0,0|2,0,0]=4 738 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 512a_100015205461_100102657272 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 512a_106832991638_100015205461 [1,1,0,0,0,0|2,0,0]=4 740 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747449 [1,1,0,0,0,0|1,0,1]=4 741 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [1,1,0,0,0,0|1,0,0]=3 742 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000747449 [1,1,0,0,0,0|1,1,0]=4 743 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747449 [1,1,0,0,0,0|1,1,0]=4 744 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000747449 [1,1,0,0,0,0|1,1,0]=4 745 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000747449 [1,1,0,0,0,0|2,0,0]=4 746 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747449 [1,1,0,0,0,0|2,0,0]=4 747 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000747449 [1,1,0,0,0,0|2,0,0]=4 748 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000747449 [1,1,0,0,0,0|1,0,0]=3 749 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747449 [1,1,0,0,0,0|1,0,0]=3 750 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000747449 [1,1,0,0,0,0|1,0,0]=3 751 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000747449 [1,1,0,0,0,0|1,1,0]=4 752 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747449 [1,1,0,0,0,0|1,1,0]=4 753 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000747449 [1,1,0,0,0,0|1,1,0]=4 754 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000747449 [1,1,0,0,0,0|1,1,0]=4 755 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747449 [1,1,0,0,0,0|1,1,0]=4 756 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000747449 [1,1,0,0,0,0|1,1,0]=4 757 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747449 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000747449 [1,1,0,0,0,0|2,0,0]=4 759 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Br 240690a_100000720352_100000210174 [1,1,0,0,0,0|1,1,0]=4 760 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Br 527a_100000720352_100000210174 [1,1,0,0,0,0|1,1,0]=4 761 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Cl 240690a_100015205461_100000210174 [1,1,0,0,0,0|1,0,0]=3 762 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Cl 527a_100015205461_100000210174 [1,1,0,0,0,0|1,0,0]=3 763 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)F 240690a_100025705893_100000210174 [1,1,0,0,0,0|1,1,0]=4 764 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)F 527a_100025705893_100000210174 [1,1,0,0,0,0|1,1,0]=4 765 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)I 240690a_100000753911_100000210174 [1,1,0,0,0,0|1,1,0]=4 766 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)I 527a_100000753911_100000210174 [1,1,0,0,0,0|1,1,0]=4 767 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)O 240690a_100161106496_100000210174 [1,1,0,0,0,0|2,0,0]=4 768 B14R1.10 Cc1ccc(cc1)C(C)CC(=O)CF 1458a_100011240733_100015361967 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.10 Cc1ccc(cc1)[C@@H](C)NC(=O)CO 240690a_100016988085_100000210174 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.10 Cc1ccc(cc1)[C@@H](C)NC(=O)CO 527a_100016988085_100000210174 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)Cl 1458a_100000210174_100000211071 [1,1,0,0,0,0|1,0,1]=4 772 B14R1.10 O=C(CO)CC(O)c1ccc(cc1)Cl 1458a_100000210174_200011996143 [1,1,0,0,0,0|1,0,0]=3 773 B14R1.10 O=C(CO)C[C@H](O)c1ccc(cc1)F 1458a_100000210174_100000720402 [1,1,0,0,0,0|1,1,0]=4 774 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100009814033 [1,1,0,0,0,0|2,0,0]=4 775 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100009814033 [1,1,0,0,0,0|2,0,0]=4 776 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 11a_100000231102_100015343762 [1,1,0,0,0,0|2,0,0]=4 777 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 1626a_100000231102_100015343762 [1,1,0,0,0,0|2,0,0]=4 778 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 240690a_100000231102_100015343762 [1,1,0,0,0,0|2,0,0]=4 779 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 527a_100000231102_100103153847 [1,1,0,0,0,0|2,0,0]=4 780 B14R1.132 CC(C(=O)N)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000702099 [1,1,0,0,0,0|2,0,0]=4 781 B14R1.132 CC(C(=O)N)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000184083 [1,1,0,0,0,0|2,0,0]=4 782 B14R1.132 CC(C(=O)N)N(C)c1ccc(cc1)Cl 34a_100020629279_100000702099 [1,1,0,0,0,0|2,0,0]=4 783 B14R1.132 CC(C(=O)O)N(C)c1ccc(cc1)F 269956a_100011202447_200000210301 [1,1,0,0,0,0|1,1,0]=4 784 B14R1.132 CC(C(=O)O)N([13CH3])c1ccc(cc1)F 269956a_100011202447_200025704644 [1,1,0,0,0,0|1,1,0]=4 785 B14R1.132 CN(c1ccc(cc1)Cl)C(F)C(=O)N 2230a_100020629279_100009813875 [1,1,0,0,0,0|2,0,0]=4 786 B14R1.132 CN(c1ccc(cc1)Cl)C(F)C(=O)N 269982a_100020629279_100009813875 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.132 CN(c1ccc(cc1)Cl)C(F)C(=O)N 34a_100020629279_100009813875 [1,1,0,0,0,0|2,0,0]=4 788 B14R1.132 CN(c1ccc(cc1)Cl)C(F)C(=O)[O-] 34a_100020629279_100020610796 [1,1,0,0,0,0|1,0,1]=4 789 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 11a_100000743459_100015343762 [1,1,0,0,0,0|2,0,0]=4 790 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 1626a_100000743459_100015343762 [1,1,0,0,0,0|2,0,0]=4 791 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 240690a_100000743459_100015343762 [1,1,0,0,0,0|2,0,0]=4 792 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 527a_100000743459_100103153847 [1,1,0,0,0,0|2,0,0]=4 793 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 11a_100016987903_100015343762 [1,1,0,0,0,0|2,0,0]=4 794 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 1626a_100016987903_100015343762 [1,1,0,0,0,0|2,0,0]=4 795 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 240690a_100016987903_100015343762 [1,1,0,0,0,0|2,0,0]=4 796 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 527a_100016987903_100103153847 [1,1,0,0,0,0|2,0,0]=4 797 B14R1.685 CN(CC(=O)N)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000747473 [1,1,0,0,0,0|2,0,0]=4 798 B14R1.685 CN(CC(=O)N)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000187820 [1,1,0,0,0,0|2,0,0]=4 799 B14R1.685 CN(CC(=O)N)c1ccc(c(c1)Cl)Cl 34a_100000219944_100000187820 [1,1,0,0,0,0|2,0,0]=4 800 B14R1.685 CN(CC(=O)[O-])c1ccc(c(c1)Cl)Cl 269982a_100000219944_100020667443 [1,1,0,0,0,0|1,0,1]=4 801 B14R1.685 CN(CC(=O)[O-])c1ccc(c(c1)Cl)Cl 34a_100000219944_100020667443 [1,1,0,0,0,0|1,0,1]=4 802 B14R1.685 Cc1cc(ccc1Cl)N(C)CC(=O)N 2230a_114849113799_100000747473 [1,1,0,0,0,0|2,0,0]=4 803 B14R1.685 Cc1cc(ccc1Cl)N(C)CC(=O)N 269982a_114849113799_100000187820 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.685 Cc1cc(ccc1Cl)N(C)CC(=O)N 34a_114849113799_100000187820 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.685 Cc1cc(ccc1Cl)N(C)CC(=O)[O-] 269982a_114849113799_100020667443 [1,1,0,0,0,0|1,0,1]=4 806 B14R1.685 Cc1cc(ccc1Cl)N(C)CC(=O)[O-] 34a_114849113799_100020667443 [1,1,0,0,0,0|1,0,1]=4 807 B14R1.694 CC(=O)CC(C)(C)c1ccc(cc1)C 1458a_200000181290_200000210301 [1,1,0,0,0,0|2,0,0]=4 808 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 11a_100000750703_100015343762 [1,1,0,0,0,0|2,0,0]=4 809 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 1626a_100000750703_100015343762 [1,1,0,0,0,0|2,0,0]=4 810 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 240690a_100000750703_100015343762 [1,1,0,0,0,0|2,0,0]=4 811 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 527a_100000750703_100103153847 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.694 Cc1ccc(cc1)C(C)(C)CC(=O)[13CH3] 1458a_200000181290_200025704644 [1,1,0,0,0,0|2,0,0]=4 813 B14R1.6048 CC(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_100000070787_100000761231 [1,1,0,0,0,0|2,0,0]=4 814 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 11a_100000179772_100015343762 [1,1,0,0,0,0|2,0,0]=4 815 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 1626a_100000179772_100015343762 [1,1,0,0,0,0|2,0,0]=4 816 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 240690a_100000179772_100015343762 [1,1,0,0,0,0|2,0,0]=4 817 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 527a_100000179772_100103153847 [1,1,0,0,0,0|2,0,0]=4 818 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 11a_100020633667_100015343762 [1,1,0,0,0,0|2,0,0]=4 819 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 1626a_100020633667_100015343762 [1,1,0,0,0,0|2,0,0]=4 820 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 240690a_100020633667_100015343762 [1,1,0,0,0,0|2,0,0]=4 821 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 527a_100020633667_100103153847 [1,1,0,0,0,0|2,0,0]=4 822 B14R1.6048 CN(CC(=O)N)c1ccc(cc1Br)Cl 269982a_100020633009_100000187820 [1,1,0,0,0,0|2,0,0]=4 823 B14R1.6048 CN(CC(=O)N)c1ccc(cc1Br)Cl 34a_100020633009_100000187820 [1,1,0,0,0,0|2,0,0]=4 824 B14R1.6048 CN(CC(=O)N)c1ccc(cc1Cl)Cl 269982a_114849113696_100000187820 [1,1,0,0,0,0|2,0,0]=4 825 B14R1.6048 CN(CC(=O)N)c1ccc(cc1Cl)Cl 34a_114849113696_100000187820 [1,1,0,0,0,0|2,0,0]=4 826 B14R1.6048 CN(CC(=O)[O-])c1ccc(cc1Br)Cl 269982a_100020633009_100020667443 [1,1,0,0,0,0|1,0,1]=4 827 B14R1.6048 CN(CC(=O)[O-])c1ccc(cc1Br)Cl 34a_100020633009_100020667443 [1,1,0,0,0,0|1,0,1]=4 828 B14R1.6048 CN(CC(=O)[O-])c1ccc(cc1Cl)Cl 269982a_114849113696_100020667443 [1,1,0,0,0,0|1,0,1]=4 829 B14R1.6048 CN(CC(=O)[O-])c1ccc(cc1Cl)Cl 34a_114849113696_100020667443 [1,1,0,0,0,0|1,0,1]=4 830 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)N)Cl 2230a_114849113698_100000747473 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)N)Cl 269982a_114849113698_100000187820 [1,1,0,0,0,0|2,0,0]=4 832 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)N)Cl 34a_114849113698_100000187820 [1,1,0,0,0,0|2,0,0]=4 833 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)N)Cl 38a_114849113698_100000747473 [1,1,0,0,0,0|2,0,0]=4 834 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)[O-])Cl 269982a_114849113698_100020667443 [1,1,0,0,0,0|1,0,1]=4 835 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)[O-])Cl 34a_114849113698_100020667443 [1,1,0,0,0,0|1,0,1]=4 836 B14R1.6048 Cc1cc(ccc1N(C)CC(=O)[O-])Cl 38a_114849113698_100020667443 [1,1,0,0,0,0|1,0,1]=4 837 B14R1.515 C#CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000184674 [1,1,0,0,0,0|2,0,0]=4 838 B14R1.515 C=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210623 [1,1,0,0,0,0|2,0,0]=4 839 B14R1.515 CCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210207 [1,1,0,0,0,0|2,0,0]=4 840 B14R1.515 CCNC(CC(=O)O)c1cccnc1 269956a_100000239604_100000210202 [1,1,0,0,0,0|2,0,0]=4 841 B14R1.515 CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210202 [1,1,0,0,0,0|1,0,0]=3 842 B14R1.515 CNCC(CC(=O)O)c1ccccc1 269956a_100016987574_200000210301 [1,1,0,0,0,0|0,0,0]=2 843 B14R1.515 COCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000766300 [1,1,0,0,0,0|2,0,0]=4 844 B14R1.515 CSCN(CC(=O)O)c1ccccc1 269956a_100000212060_100011218213 [1,1,0,0,0,0|2,0,0]=4 845 B14R1.515 N#CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100011215382 [1,1,0,0,0,0|1,0,1]=4 846 B14R1.515 O=C(O)CC(NCF)c1cccnc1 269956a_100000239604_100015361967 [1,1,0,0,0,0|2,0,0]=4 847 B14R1.515 O=C(O)CN(CCF)c1ccccc1 269956a_100000212060_100011217306 [1,1,0,0,0,0|2,0,0]=4 848 B14R1.515 O=C(O)CN(CCO)c1ccccc1 269956a_100000212060_100000211926 [1,1,0,0,0,0|2,0,0]=4 849 B14R1.515 O=C(O)C[C@H](NCF)c1ccccc1 269956a_100000751379_100015361967 [1,1,0,0,0,0|1,0,0]=3 850 B14R1.515 O=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_200015260668 [1,1,0,0,0,0|2,0,0]=4 851 B14R1.515 [13CH3]NCC(CC(=O)O)c1ccccc1 269956a_100016987574_200025704644 [1,1,0,0,0,0|0,0,0]=2 852 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_100000210202 [1,1,0,0,0,0|2,0,0]=4 853 B14R1.1020 CCN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_100000210202 [1,1,0,0,0,0|2,0,0]=4 854 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_200000210301 [1,1,0,0,0,0|2,0,0]=4 855 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)C 269956a_100000737193_200000210301 [1,1,0,0,0,0|2,0,0]=4 856 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_200000210301 [1,1,0,0,0,0|2,0,0]=4 857 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_200000210301 [1,1,0,0,0,0|2,0,0]=4 858 B14R1.1020 Cc1cccc(c1)C(CC(=O)O)N[13CH3] 269956a_100000737193_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B14R1.1020 O=C(O)CN(CF)c1cccc(c1)Br 269956a_200011202421_100015361967 [1,1,0,0,0,0|2,0,0]=4 860 B14R1.1020 O=C(O)CN(CF)c1cccc(c1)Cl 269956a_100000741870_100015361967 [1,1,0,0,0,0|2,0,0]=4 861 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_200025704644 [1,1,0,0,0,0|2,0,0]=4 863 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B14R1.1027 CC(C(=O)O)N(CF)c1ccccc1 269956a_100000189636_100015361967 [1,1,0,0,0,0|2,0,0]=4 865 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210202 [1,1,0,0,0,0|2,0,0]=4 866 B14R1.3297 CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210202 [1,1,0,0,0,0|2,0,0]=4 867 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 240690a_100000737752_100000210174 [1,1,0,0,0,0|2,0,0]=4 868 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 527a_100000737752_100000210174 [1,1,0,0,0,0|2,0,0]=4 869 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000210013_100000747449 [1,1,0,0,0,0|2,0,0]=4 870 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210202 [1,1,0,0,0,0|2,0,0]=4 871 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000210013_100000747449 [1,1,0,0,0,0|2,0,0]=4 872 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000204670 [1,1,0,0,0,0|2,0,0]=4 873 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 34a_100000210013_100000747449 [1,1,0,0,0,0|2,0,0]=4 874 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 1626a_100102657272_106726389045 [1,1,0,0,0,0|2,0,0]=4 875 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 240690a_100102657272_106726389045 [1,1,0,0,0,0|2,0,0]=4 876 B14R1.3297 COC(=O)CN(CF)c1ccccc1 269982a_100000757779_100015361967 [1,1,0,0,0,0|2,0,0]=4 877 B14R1.3297 O=C(CF)CC(CO)c1ccccc1 1458a_106726389045_100015361967 [1,1,0,0,0,0|2,0,0]=4 878 B14R1.3297 O=C(CO)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210174 [1,1,0,0,0,0|2,0,0]=4 879 B14R1.3297 O=C(CO)N[C@H](CO)c1ccccc1 527a_100000751927_100000210174 [1,1,0,0,0,0|2,0,0]=4 880 B14R1.6455 CC(C)N(CC(=O)O)c1ccccc1 269956a_100000212060_100000210206 [1,1,0,0,0,0|2,0,0]=4 881 B14R1.6474 CCN(CC(=O)O)c1ccccc1C 269956a_200011202413_100000210202 [1,1,0,0,0,0|2,0,0]=4 882 B14R1.6474 CCN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_100000210202 [1,1,0,0,0,0|2,0,0]=4 883 B14R1.6474 CCN(CC(=O)O)c1ccccc1F 269956a_200011202418_100000210202 [1,1,0,0,0,0|2,0,0]=4 884 B14R1.6474 CNC(CC(=O)O)c1ccccc1Br 269956a_100011224113_200000210301 [1,1,0,0,0,0|2,0,0]=4 885 B14R1.6474 CNC(CC(=O)O)c1ccccc1C 269956a_100000751382_200000210301 [1,1,0,0,0,0|2,0,0]=4 886 B14R1.6474 CNC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B14R1.6474 CNC(CC(=O)O)c1ccccc1F 269956a_100000182082_200000210301 [1,1,0,0,0,0|2,0,0]=4 888 B14R1.6474 Cc1ccccc1C(CC(=O)O)N[13CH3] 269956a_100000751382_200025704644 [1,1,0,0,0,0|2,0,0]=4 889 B14R1.6474 Cc1ccccc1N(CF)CC(=O)O 269956a_200011202413_100015361967 [1,1,0,0,0,0|2,0,0]=4 890 B14R1.6474 O=C(O)CN(CF)c1ccccc1Cl 269956a_100000742597_100015361967 [1,1,0,0,0,0|2,0,0]=4 891 B14R1.6474 O=C(O)CN(CF)c1ccccc1F 269956a_200011202418_100015361967 [1,1,0,0,0,0|2,0,0]=4 892 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1Br 269956a_100011224113_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_200025704644 [1,1,0,0,0,0|2,0,0]=4 894 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1F 269956a_100000182082_200025704644 [1,1,0,0,0,0|2,0,0]=4 895 B14R1.703 CC(=O)C(c1ccc(cc1)Cl)C(C)C 1458a_100000183262_200000210301 [0,1,0,0,1,0|2,0,0]=4 896 B14R1.703 CC(C)C(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000183262_200025704644 [0,1,0,0,1,0|2,0,0]=4 897 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200000210301 [0,1,0,0,1,0|2,0,0]=4 898 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200000210301 [0,1,0,0,1,0|2,0,0]=4 899 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200025704644 [0,1,0,0,1,0|2,0,0]=4 900 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200025704644 [0,1,0,0,1,0|2,0,0]=4 901 B14R1.2970 CNC(C(=O)O)c1ccc(cc1Cl)Cl 269956a_100000741897_200000210301 [0,1,0,0,1,0|2,0,0]=4 902 B14R1.2970 [13CH3]NC(C(=O)O)c1ccc(cc1Cl)Cl 269956a_100000741897_200025704644 [0,1,0,0,1,0|2,0,0]=4 903 B16R1.776 CCN(CC(=O)O)Cc1ccc(c(c1)Br)Cl 269956a_100000746405_100012353894 [0,1,0,0,0,1|2,0,0]=4 904 B16R1.776 CCN(CC(=O)O)Cc1ccc(c(c1)C)Cl 269956a_100000746405_100012184735 [0,1,0,0,0,1|2,0,0]=4 905 B16R1.776 CCN(CC(=O)O)Cc1ccc(c(c1)Cl)Cl 269956a_100000746405_100000188800 [0,1,0,0,0,1|2,0,0]=4 906 B16R1.776 CCN(CC(=O)O)Cc1ccc(c(c1)Cl)Cl 269956a_200011259091_100000210202 [0,1,0,0,0,1|2,0,0]=4 907 B16R1.776 CCN(CC(=O)O)Cc1ccc(c(c1)F)Cl 269956a_100000746405_100000716492 [0,1,0,0,0,1|2,0,0]=4 908 B16R1.776 O=C(O)CN(CF)Cc1ccc(c(c1)Cl)Cl 269956a_200011259091_100015361967 [0,1,0,0,0,1|2,0,0]=4 909 B16R1.1149 CCN(CC(=O)OC)Cc1ccc(cc1)Cl 2230a_100000180830_100000747449 [0,1,0,0,0,1|2,0,0]=4 910 B16R1.1149 CCN(CC(=O)OC)Cc1ccc(cc1)Cl 269982a_100000180830_100000747449 [0,1,0,0,0,1|2,0,0]=4 911 B16R1.1149 O=C(CO)NC(CO)Cc1ccc(cc1)Cl 240690a_100025702442_100000210174 [0,1,0,0,0,1|2,0,0]=4 912 B16R1.1149 O=C(CO)NC(CO)Cc1ccc(cc1)Cl 527a_100025702442_100000210174 [0,1,0,0,0,1|2,0,0]=4 913 B16R1.1591 C#CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000184674 [0,1,0,0,0,1|2,0,0]=4 914 B16R1.1591 C#CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100011236498_100000187161 [0,1,0,0,0,1|2,0,0]=4 915 B16R1.1591 C=CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000744315_100000187161 [0,1,0,0,0,1|2,0,0]=4 916 B16R1.1591 C=CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000210623 [0,1,0,0,0,1|2,0,0]=4 917 B16R1.1591 CCCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000210207 [0,1,0,0,0,1|2,0,0]=4 918 B16R1.1591 CCN[C@H](CC(=O)O)Cc1ccc(cc1)Cl 269956a_200000016933_100000210202 [0,1,0,0,0,1|1,0,0]=3 919 B16R1.1591 CCN[C@H](CC(=O)O)Cc1ccc(cc1)F 269956a_100015260418_100000210202 [0,1,0,0,0,1|1,1,0]=4 920 B16R1.1591 COCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000766300 [0,1,0,0,0,1|2,0,0]=4 921 B16R1.1591 CSCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100011218213 [0,1,0,0,0,1|2,0,0]=4 922 B16R1.1591 N#CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100011215382 [0,1,0,0,0,1|1,0,1]=4 923 B16R1.1591 O=C(O)CN(CCF)Cc1ccc(cc1)Cl 269956a_100000756320_100011217306 [0,1,0,0,0,1|2,0,0]=4 924 B16R1.1591 O=C(O)CN(CCO)Cc1ccc(cc1)Cl 269956a_100000747938_100000187161 [0,1,0,0,0,1|2,0,0]=4 925 B16R1.1591 O=C(O)CN(CCO)Cc1ccc(cc1)Cl 269956a_100000756320_100000211926 [0,1,0,0,0,1|2,0,0]=4 926 B16R1.1591 O=C(O)C[C@H](Cc1ccc(cc1)Cl)NCF 269956a_200000016933_100015361967 [0,1,0,0,0,1|1,0,0]=3 927 B16R1.1591 O=C(O)C[C@H](Cc1ccc(cc1)F)NCF 269956a_100015260418_100015361967 [0,1,0,0,0,1|1,1,0]=4 928 B16R1.1591 O=CCN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200015260668 [0,1,0,0,0,1|2,0,0]=4 929 B16R1.1678 CCN(CC(=O)O)C(C)c1ccc(cc1)Cl 269956a_100000746405_100000684792 [0,1,0,0,0,1|2,0,0]=4 930 B16R1.6927 CC(C)N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000210206 [0,1,0,0,0,1|2,0,0]=4 931 B16R1.14316 CCN(CC(=O)O)Cc1ccc(cc1Br)Cl 269956a_100000746405_100000755608 [0,1,0,0,0,1|2,0,0]=4 932 B16R1.14316 CCN(CC(=O)O)Cc1ccc(cc1C)Cl 269956a_100000746405_100012361307 [0,1,0,0,0,1|2,0,0]=4 933 B16R1.14316 CCN(CC(=O)O)Cc1ccc(cc1Cl)Cl 269956a_100000746405_100000188473 [0,1,0,0,0,1|2,0,0]=4 934 B16R1.14316 CCN(CC(=O)O)Cc1ccc(cc1F)Cl 269956a_100000746405_100000709361 [0,1,0,0,0,1|2,0,0]=4 935 B16R1.14316 CCN(CC(=O)O)Cc1ccc(cc1I)Cl 269956a_100000746405_100010254388 [0,1,0,0,0,1|2,0,0]=4 936 B16R1.14316 CN[C@@H](CC(=O)O)Cc1ccc(cc1Cl)Cl 269956a_200015294939_200000210301 [0,1,0,0,0,1|2,0,0]=4 937 B16R1.14316 [13CH3]N[C@@H](CC(=O)O)Cc1ccc(cc1Cl)Cl 269956a_200015294939_200025704644 [0,1,0,0,0,1|2,0,0]=4 938 B16R1.221 COc1ccc(cc1)C(CN)OCC(=O)N 34a_100000738651_100000187820 [0,1,0,0,0,1|2,0,0]=4 939 B16R1.221 COc1ccc(cc1)C(CN)OCC(=O)[O-] 34a_100000738651_100020667443 [0,1,0,0,0,1|1,0,1]=4 940 B16R1.633 CC(=O)C(C)N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100009814033 [0,1,0,0,0,1|2,0,0]=4 941 B16R1.633 CC(=O)C(C)OC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000179758 [0,1,0,0,0,1|2,0,0]=4 942 B16R1.633 CC(N[C@H](CO)c1ccc(cc1)Cl)C(=O)N 2230a_100009818818_100000702099 [0,1,0,0,0,1|2,0,0]=4 943 B16R1.633 CC(N[C@H](CO)c1ccc(cc1)Cl)C(=O)N 34a_100009818818_100000702099 [0,1,0,0,0,1|2,0,0]=4 944 B16R1.633 CC(OC(CCl)c1ccc(cc1)Cl)C(=O)N 34a_200011996143_100000702099 [0,1,0,0,0,1|2,0,0]=4 945 B16R1.633 CC(OC(CCl)c1ccc(cc1)Cl)C(=O)N 7a_200011996143_100000702099 [0,1,0,0,0,1|2,0,0]=4 946 B16R1.633 CC(OC(CN)c1ccc(cc1)Br)C(=O)N 34a_100020626992_100000702099 [0,1,0,0,0,1|1,1,0]=4 947 B16R1.633 CC(OC(CN)c1ccc(cc1)Cl)C(=O)N 34a_100000736658_100000702099 [0,1,0,0,0,1|1,0,0]=3 948 B16R1.633 CCC(OC(C)C(=O)C)c1ccc(cc1)Cl 7a_100000246471_100000179758 [0,1,0,0,0,1|2,0,0]=4 949 B16R1.633 CCC(OC(C)C(=O)N)c1ccc(cc1)Cl 34a_100000246471_100000702099 [0,1,0,0,0,1|2,0,0]=4 950 B16R1.633 CCC(OC(C)C(=O)N)c1ccc(cc1)Cl 7a_100000246471_100000702099 [0,1,0,0,0,1|2,0,0]=4 951 B16R1.633 CCC(OC(F)C(=O)N)c1ccc(cc1)Cl 34a_100000246471_100009813875 [0,1,0,0,0,1|2,0,0]=4 952 B16R1.633 CCC(OC(F)C(=O)N)c1ccc(cc1)Cl 7a_100000246471_100009813875 [0,1,0,0,0,1|2,0,0]=4 953 B16R1.633 CCC(OC(F)C(=O)[O-])c1ccc(cc1)Cl 34a_100000246471_100020610796 [0,1,0,0,0,1|1,0,1]=4 954 B16R1.633 CC[C@H](NC(C)C(=O)C)c1ccc(cc1)Cl 2230a_100015186824_100009814033 [0,1,0,0,0,1|2,0,0]=4 955 B16R1.633 CC[C@H](NC(C)C(=O)N)c1ccc(cc1)Cl 2230a_100015186824_100000702099 [0,1,0,0,0,1|2,0,0]=4 956 B16R1.633 CC[C@H](NC(C)C(=O)N)c1ccc(cc1)Cl 34a_100015186824_100000702099 [0,1,0,0,0,1|2,0,0]=4 957 B16R1.633 CC[C@H](NC(F)C(=O)N)c1ccc(cc1)Cl 2230a_100015186824_100009813875 [0,1,0,0,0,1|2,0,0]=4 958 B16R1.633 CC[C@H](NC(F)C(=O)N)c1ccc(cc1)Cl 34a_100015186824_100009813875 [0,1,0,0,0,1|2,0,0]=4 959 B16R1.633 CC[C@H](NC(F)C(=O)[O-])c1ccc(cc1)Cl 34a_100015186824_100020610796 [0,1,0,0,0,1|1,0,1]=4 960 B16R1.633 NC(=O)C(F)N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100009813875 [0,1,0,0,0,1|2,0,0]=4 961 B16R1.633 NC(=O)C(F)N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100009813875 [0,1,0,0,0,1|2,0,0]=4 962 B16R1.633 NC(=O)C(F)OC(CCl)c1ccc(cc1)Cl 34a_200011996143_100009813875 [0,1,0,0,0,1|2,0,0]=4 963 B16R1.633 NC(=O)C(F)OC(CCl)c1ccc(cc1)Cl 7a_200011996143_100009813875 [0,1,0,0,0,1|2,0,0]=4 964 B16R1.633 NCC(OC(F)C(=O)N)c1ccc(cc1)Br 34a_100020626992_100009813875 [0,1,0,0,0,1|1,1,0]=4 965 B16R1.633 NCC(OC(F)C(=O)N)c1ccc(cc1)Cl 34a_100000736658_100009813875 [0,1,0,0,0,1|1,0,0]=3 966 B16R1.633 NCC(OC(F)C(=O)[O-])c1ccc(cc1)Br 34a_100020626992_100020610796 [0,1,0,0,0,1|0,1,1]=4 967 B16R1.633 NCC(OC(F)C(=O)[O-])c1ccc(cc1)Cl 34a_100000736658_100020610796 [0,1,0,0,0,1|0,0,1]=3 968 B16R1.633 O=C([O-])C(F)N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100020610796 [0,1,0,0,0,1|1,0,1]=4 969 B16R1.633 O=C([O-])C(F)OC(CCl)c1ccc(cc1)Cl 34a_200011996143_100020610796 [0,1,0,0,0,1|1,0,1]=4 970 B16R1.1305 C#CC(OCC(=O)OC)c1ccc(cc1)Cl 34a_100011470666_100000747449 [0,1,0,0,0,1|1,0,1]=4 971 B16R1.1305 C#CC(OCC(=O)OC)c1ccc(cc1)Cl 7a_100011470666_100000747449 [0,1,0,0,0,1|1,0,1]=4 972 B16R1.1305 C=C(C#N)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000694840 [0,1,0,0,0,1|2,0,0]=4 973 B16R1.1305 C=CC(O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000730141 [0,1,0,0,0,1|1,0,1]=4 974 B16R1.1305 CCC(=O)COC(CC)c1ccc(cc1)Cl 7a_100000246471_100000747405 [0,1,0,0,0,1|2,0,0]=4 975 B16R1.1305 CCC(=O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000747405 [0,1,0,0,0,1|2,0,0]=4 976 B16R1.1305 CCC(NCC(=O)NC)c1ccc(cc1)Cl 269862a_100000693194_100000210983 [0,1,0,0,0,1|2,0,0]=4 977 B16R1.1305 CCC(NCC(=O)OC)c1ccc(cc1)C 2230a_100000749201_100000747449 [0,1,0,0,0,1|2,0,0]=4 978 B16R1.1305 CCC(NCC(=O)OC)c1ccc(cc1)C 34a_100000749201_100000747449 [0,1,0,0,0,1|2,0,0]=4 979 B16R1.1305 CCC(NCC(=O)OC)c1ccc(cc1)F 2230a_100011191751_100000747449 [0,1,0,0,0,1|1,1,0]=4 980 B16R1.1305 CCC(NCC(=O)OC)c1ccc(cc1)F 34a_100011191751_100000747449 [0,1,0,0,0,1|1,1,0]=4 981 B16R1.1305 CCC(NCC(=O)OC)c1ccc(cc1)O 34a_100015187210_100000747449 [0,1,0,0,0,1|2,0,0]=4 982 B16R1.1305 CCC(O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100011218378 [0,1,0,0,0,1|1,0,1]=4 983 B16R1.1305 CCC(OCC(=O)NC)c1ccc(cc1)Cl 34a_100000246471_100000183359 [0,1,0,0,0,1|2,0,0]=4 984 B16R1.1305 CCC(OCC(=O)NC)c1ccc(cc1)Cl 7a_100000246471_100000183359 [0,1,0,0,0,1|2,0,0]=4 985 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)Br 34a_100000246506_100000747449 [0,1,0,0,0,1|1,1,0]=4 986 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)Br 7a_100000246506_100000747449 [0,1,0,0,0,1|1,1,0]=4 987 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)C 34a_100000246521_100000747449 [0,1,0,0,0,1|2,0,0]=4 988 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)C 7a_100000246521_100000747449 [0,1,0,0,0,1|2,0,0]=4 989 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)Cl 34a_100000246471_100000747449 [0,1,0,0,0,1|1,0,0]=3 990 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)Cl 7a_100000246471_100000747449 [0,1,0,0,0,1|1,0,0]=3 991 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)F 34a_100000246474_100000747449 [0,1,0,0,0,1|1,1,0]=4 992 B16R1.1305 CCC(OCC(=O)OC)c1ccc(cc1)F 7a_100000246474_100000747449 [0,1,0,0,0,1|1,1,0]=4 993 B16R1.1305 CCN(CCC(=O)OC)c1ccc(cc1)Cl 2230a_100000220165_100000204255 [0,1,0,0,0,1|2,0,0]=4 994 B16R1.1305 CCN(CCC(=O)OC)c1ccc(cc1)Cl 269982a_100000220165_100000204255 [0,1,0,0,0,1|2,0,0]=4 995 B16R1.1305 CCN(CCC(=O)OC)c1ccc(cc1)Cl 34a_100000220165_100000742370 [0,1,0,0,0,1|2,0,0]=4 996 B16R1.1305 CC[C@H](NCC(=O)NC)c1ccc(cc1)Cl 2230a_100015186824_100000183359 [0,1,0,0,0,1|2,0,0]=4 997 B16R1.1305 CC[C@H](NCC(=O)NC)c1ccc(cc1)Cl 34a_100015186824_100000183359 [0,1,0,0,0,1|2,0,0]=4 998 B16R1.1305 CC[C@H](NCC(=O)OC)c1ccc(cc1)Br 2230a_100025736560_100000747449 [0,1,0,0,0,1|1,1,0]=4 999 B16R1.1305 CC[C@H](NCC(=O)OC)c1ccc(cc1)Br 34a_100025736560_100000747449 [0,1,0,0,0,1|1,1,0]=4 1000 B16R1.1305 CC[C@H](NCC(=O)OC)c1ccc(cc1)Cl 2230a_100015186824_100000747449 [0,1,0,0,0,1|1,0,0]=3 1001 B16R1.1305 CC[C@H](NCC(=O)OC)c1ccc(cc1)Cl 34a_100015186824_100000747449 [0,1,0,0,0,1|1,0,0]=3 1002 B16R1.1305 CNC(=O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000183359 [0,1,0,0,0,1|2,0,0]=4 1003 B16R1.1305 CNC(=O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000183359 [0,1,0,0,0,1|2,0,0]=4 1004 B16R1.1305 CNC(=O)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000183359 [0,1,0,0,0,1|2,0,0]=4 1005 B16R1.1305 CNC(=O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000183359 [0,1,0,0,0,1|2,0,0]=4 1006 B16R1.1305 CNC(=O)COC(CN)c1ccc(cc1)Br 34a_100020626992_100000183359 [0,1,0,0,0,1|1,1,0]=4 1007 B16R1.1305 CNC(=O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000183359 [0,1,0,0,0,1|1,0,0]=3 1008 B16R1.1305 COC(=O)CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_100000747449 [0,1,0,0,0,1|0,0,2]=4 1009 B16R1.1305 COC(=O)CNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000747449 [0,1,0,0,0,1|1,1,0]=4 1010 B16R1.1305 COC(=O)CNC(CO)c1ccc(cc1)Br 34a_100000734186_100000747449 [0,1,0,0,0,1|1,1,0]=4 1011 B16R1.1305 COC(=O)CNC(CO)c1ccc(cc1)F 2230a_100000705410_100000747449 [0,1,0,0,0,1|1,1,0]=4 1012 B16R1.1305 COC(=O)CNC(CO)c1ccc(cc1)F 34a_100000705410_100000747449 [0,1,0,0,0,1|1,1,0]=4 1013 B16R1.1305 COC(=O)CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000747449 [0,1,0,0,0,1|2,0,0]=4 1014 B16R1.1305 COC(=O)CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000747449 [0,1,0,0,0,1|2,0,0]=4 1015 B16R1.1305 COC(=O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000747449 [0,1,0,0,0,1|1,0,0]=3 1016 B16R1.1305 COC(=O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000747449 [0,1,0,0,0,1|1,0,0]=3 1017 B16R1.1305 COC(=O)COC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000747449 [0,1,0,0,0,1|1,0,0]=3 1018 B16R1.1305 COC(=O)COC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000747449 [0,1,0,0,0,1|1,0,0]=3 1019 B16R1.1305 COC(=O)COC(CN)c1ccc(cc1)Br 34a_100020626992_100000747449 [0,1,0,0,0,1|0,1,0]=3 1020 B16R1.1305 COC(=O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000747449 [0,1,0,0,0,1|0,0,0]=2 1021 B16R1.1305 COC(=O)CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000747449 [0,1,0,0,0,1|1,1,0]=4 1022 B16R1.1305 COC(=O)CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000747449 [0,1,0,0,0,1|1,1,0]=4 1023 B16R1.1305 C[C@@H](CO)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000059175 [0,1,0,0,0,1|1,0,1]=4 1024 B16R1.1305 NCC(OCC(O)CO)c1ccc(cc1)Cl 34a_100000736658_100011219619 [0,1,0,0,0,1|0,0,2]=4 1025 B16R1.1305 NCC(OC[C@@H](O)CF)c1ccc(cc1)Cl 34a_100000736658_100015614560 [0,1,0,0,0,1|1,0,1]=4 1026 B16R1.1305 NCC(OC[C@@H](O)CO)c1ccc(cc1)Cl 34a_100000736658_100009815848 [0,1,0,0,0,1|0,0,2]=4 1027 B16R1.1595 C=CCC(OCC(=O)N)c1ccc(cc1)Cl 34a_200011466439_100000187820 [0,1,0,0,0,1|2,0,0]=4 1028 B16R1.1595 C=CCC(OCC(=O)N)c1ccc(cc1)Cl 7a_200011466439_100000187820 [0,1,0,0,0,1|2,0,0]=4 1029 B16R1.1595 C=CCC(OCC(=O)[O-])c1ccc(cc1)Cl 34a_200011466439_100020667443 [0,1,0,0,0,1|1,0,1]=4 1030 B16R1.1595 NC(=O)CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_100000747473 [0,1,0,0,0,1|2,0,0]=4 1031 B16R1.1595 NC(=O)CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_100000187820 [0,1,0,0,0,1|2,0,0]=4 1032 B16R1.1595 O=C([O-])CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_100020667443 [0,1,0,0,0,1|1,0,1]=4 1033 B16R1.6623 CC(C)(O)COC(CN)c1ccc(cc1)Cl 34a_100000736658_100000764493 [0,1,0,0,0,1|1,0,1]=4 1034 B16R1.6623 NCC(OCS(=O)(=O)[O-])c1ccc(cc1)Cl 34a_100000736658_100009817235 [0,1,0,0,0,1|1,0,1]=4 1035 B16R1.14252 NC(=O)CNC(CO)c1ccc(c(c1)Cl)Cl 2230a_100011404344_100000747473 [0,1,0,0,0,1|2,0,0]=4 1036 B16R1.14252 NC(=O)CNC(CO)c1ccc(c(c1)Cl)Cl 34a_100011404344_100000187820 [0,1,0,0,0,1|2,0,0]=4 1037 B16R1.14252 O=C([O-])CNC(CO)c1ccc(c(c1)Cl)Cl 34a_100011404344_100020667443 [0,1,0,0,0,1|1,0,1]=4 1038 B16R1.16564 C=C(C)CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_100000748629 [0,1,0,0,0,1|2,0,0]=4 1039 B16R1.16564 C=C(F)CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_100009893438 [0,1,0,0,0,1|2,0,0]=4 1040 B16R1.16564 CC(C)C(NCC(=O)N)c1ccc(cc1)Cl 2230a_100015204473_100000747473 [0,1,0,0,0,1|2,0,0]=4 1041 B16R1.16564 CC(C)C(NCC(=O)N)c1ccc(cc1)Cl 34a_100015204473_100000187820 [0,1,0,0,0,1|2,0,0]=4 1042 B16R1.16564 CC(C)C(NCC(=O)[O-])c1ccc(cc1)Cl 34a_100015204473_100020667443 [0,1,0,0,0,1|1,0,1]=4 1043 B16R1.16564 CC(O)CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_100011218427 [0,1,0,0,0,1|1,0,1]=4 1044 B16R1.16564 C[C@@H](N)[C@@H](OCC(=O)N)c1ccc(cc1)Cl 34a_200009830414_100000187820 [0,1,0,0,0,1|1,0,0]=3 1045 B16R1.16564 C[C@@H](N)[C@@H](OCC(=O)[O-])c1ccc(cc1)Cl 34a_200009830414_100020667443 [0,1,0,0,0,1|0,0,1]=3 1046 B16R1.16564 C[C@@H](N)[C@@H](OC[N+](=O)[O-])c1ccc(cc1)Cl 34a_200009830414_100000761209 [0,1,0,0,0,1|1,0,1]=4 1047 B16R1.16564 C[C@@H](O)CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_100009817552 [0,1,0,0,0,1|1,0,1]=4 1048 B16R1.67420 NC(=O)CO[C@@H](CCl)c1ccc(cc1Cl)Cl 34a_100000761231_100000187820 [0,1,0,0,0,1|2,0,0]=4 1049 B16R1.67420 NC(=O)CO[C@@H](CCl)c1ccc(cc1Cl)Cl 7a_100000761231_100000187820 [0,1,0,0,0,1|2,0,0]=4 1050 B16R1.67420 O=C([O-])CO[C@@H](CCl)c1ccc(cc1Cl)Cl 34a_100000761231_100020667443 [0,1,0,0,0,1|1,0,1]=4 1051 B16R1.13920 CCNC(CC(=O)O)c1ccc(cc1)CC 269956a_200011224097_100000210202 [0,2,0,0,0,0|2,0,0]=4 1052 B16R1.13920 CCNC(CC(=O)O)c1ccc(cc1)SC 269956a_200000239654_100000210202 [0,2,0,0,0,0|2,0,0]=4 1053 B16R1.13920 CCN[C@@H](CC(=O)O)c1ccc(cc1)OC 269956a_100000703991_100000210202 [0,2,0,0,0,0|2,0,0]=4 1054 B16R1.13920 CCN[C@H](CC(=O)O)c1ccc(cc1)C#N 269956a_100016193326_100000210202 [0,2,0,0,0,0|2,0,0]=4 1055 B16R1.13920 CCc1ccc(cc1)C(CC(=O)O)NCF 269956a_200011224097_100015361967 [0,2,0,0,0,0|2,0,0]=4 1056 B16R1.13920 COc1ccc(cc1)[C@H](CC(=O)O)NCF 269956a_100000703991_100015361967 [0,2,0,0,0,0|2,0,0]=4 1057 B16R1.13920 CSc1ccc(cc1)C(CC(=O)O)NCF 269956a_200000239654_100015361967 [0,2,0,0,0,0|2,0,0]=4 1058 B16R1.13920 N#Cc1ccc(cc1)[C@@H](CC(=O)O)NCF 269956a_100016193326_100015361967 [0,2,0,0,0,0|2,0,0]=4 1059 B16R1.111 C#CCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000688953 [0,2,0,0,0,0|2,0,0]=4 1060 B16R1.111 C#CCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000184674 [0,2,0,0,0,0|1,1,0]=4 1061 B16R1.111 C#CCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100000184674 [0,2,0,0,0,0|2,0,0]=4 1062 B16R1.111 C#CCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000184674 [0,2,0,0,0,0|1,1,0]=4 1063 B16R1.111 C#CCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000184674 [0,2,0,0,0,0|2,0,0]=4 1064 B16R1.111 C#CCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000184674 [0,2,0,0,0,0|1,0,0]=3 1065 B16R1.111 C/C=C/CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100102629194 [0,2,0,0,0,0|2,0,0]=4 1066 B16R1.111 C=CCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000754431 [0,2,0,0,0,0|2,0,0]=4 1067 B16R1.111 C=CCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000210623 [0,2,0,0,0,0|1,1,0]=4 1068 B16R1.111 C=CCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100000210623 [0,2,0,0,0,0|2,0,0]=4 1069 B16R1.111 C=CCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000210623 [0,2,0,0,0,0|1,1,0]=4 1070 B16R1.111 C=CCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000210623 [0,2,0,0,0,0|2,0,0]=4 1071 B16R1.111 C=CCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000210623 [0,2,0,0,0,0|1,0,0]=3 1072 B16R1.111 CC#CCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000748600 [0,2,0,0,0,0|2,0,0]=4 1073 B16R1.111 CCCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210211 [0,2,0,0,0,0|2,0,0]=4 1074 B16R1.111 CCCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000210207 [0,2,0,0,0,0|1,1,0]=4 1075 B16R1.111 CCCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100000210207 [0,2,0,0,0,0|2,0,0]=4 1076 B16R1.111 CCCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000210207 [0,2,0,0,0,0|1,1,0]=4 1077 B16R1.111 CCCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000210207 [0,2,0,0,0,0|2,0,0]=4 1078 B16R1.111 CCCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000210207 [0,2,0,0,0,0|1,0,0]=3 1079 B16R1.111 CCNCC(CC(=O)O)c1ccc(cc1)Cl 269956a_100000693554_100000210202 [0,2,0,0,0,0|0,0,0]=2 1080 B16R1.111 CCNCC(CC(=O)O)c1ccc(cc1)F 269956a_100020682740_100000210202 [0,2,0,0,0,0|0,1,0]=3 1081 B16R1.111 CCOCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000739092 [0,2,0,0,0,0|2,0,0]=4 1082 B16R1.111 COCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000233755 [0,2,0,0,0,0|2,0,0]=4 1083 B16R1.111 COCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000766300 [0,2,0,0,0,0|1,1,0]=4 1084 B16R1.111 COCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100000766300 [0,2,0,0,0,0|2,0,0]=4 1085 B16R1.111 COCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000766300 [0,2,0,0,0,0|1,1,0]=4 1086 B16R1.111 COCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000766300 [0,2,0,0,0,0|2,0,0]=4 1087 B16R1.111 COCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000766300 [0,2,0,0,0,0|1,0,0]=3 1088 B16R1.111 CSCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000212216 [0,2,0,0,0,0|2,0,0]=4 1089 B16R1.111 CSCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100011218213 [0,2,0,0,0,0|1,1,0]=4 1090 B16R1.111 CSCNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_100011218213 [0,2,0,0,0,0|2,0,0]=4 1091 B16R1.111 CSCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100011218213 [0,2,0,0,0,0|1,1,0]=4 1092 B16R1.111 CSCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100011218213 [0,2,0,0,0,0|2,0,0]=4 1093 B16R1.111 CSCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100011218213 [0,2,0,0,0,0|1,0,0]=3 1094 B16R1.111 Cc1ccc(cc1)C(CC(=O)O)NCC#N 269956a_100000183803_100011215382 [0,2,0,0,0,0|1,0,1]=4 1095 B16R1.111 Cc1ccc(cc1)C(CC(=O)O)NCC=O 269956a_100000183803_200015260668 [0,2,0,0,0,0|2,0,0]=4 1096 B16R1.111 Cc1ccc(cc1)C(CC(=O)O)NCCF 269956a_100000183803_100011217306 [0,2,0,0,0,0|2,0,0]=4 1097 B16R1.111 Cc1ccc(cc1)C(CC(=O)O)NCCO 269956a_100000183803_100000211926 [0,2,0,0,0,0|2,0,0]=4 1098 B16R1.111 N#CCCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011215226 [0,2,0,0,0,0|1,0,1]=4 1099 B16R1.111 N#CCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100011215382 [0,2,0,0,0,0|0,1,1]=4 1100 B16R1.111 N#CCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100011215382 [0,2,0,0,0,0|0,1,1]=4 1101 B16R1.111 N#CCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100011215382 [0,2,0,0,0,0|1,0,1]=4 1102 B16R1.111 N#CCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100011215382 [0,2,0,0,0,0|0,0,1]=3 1103 B16R1.111 N#CSCN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000211825 [0,2,0,0,0,0|1,0,1]=4 1104 B16R1.111 O=C(O)CC(CNCF)c1ccc(cc1)Cl 269956a_100000693554_100015361967 [0,2,0,0,0,0|0,0,0]=2 1105 B16R1.111 O=C(O)CC(CNCF)c1ccc(cc1)F 269956a_100020682740_100015361967 [0,2,0,0,0,0|0,1,0]=3 1106 B16R1.111 O=C(O)CC(NCCF)c1ccc(cc1)Br 269956a_100000230149_100011217306 [0,2,0,0,0,0|1,1,0]=4 1107 B16R1.111 O=C(O)CC(NCCF)c1ccc(cc1)F 269956a_100000183810_100011217306 [0,2,0,0,0,0|1,1,0]=4 1108 B16R1.111 O=C(O)CC(NCCF)c1ccc(cc1)O 269956a_100000023953_100011217306 [0,2,0,0,0,0|2,0,0]=4 1109 B16R1.111 O=C(O)CC(NCCO)c1ccc(cc1)Br 269956a_100000230149_100000211926 [0,2,0,0,0,0|1,1,0]=4 1110 B16R1.111 O=C(O)CC(NCCO)c1ccc(cc1)F 269956a_100000183810_100000211926 [0,2,0,0,0,0|1,1,0]=4 1111 B16R1.111 O=C(O)CC(NCCO)c1ccc(cc1)O 269956a_100000023953_100000211926 [0,2,0,0,0,0|2,0,0]=4 1112 B16R1.111 O=C(O)CN(CCCF)c1ccc(cc1)Cl 269956a_100000741738_100011934791 [0,2,0,0,0,0|2,0,0]=4 1113 B16R1.111 O=C(O)CN(CCCO)c1ccc(cc1)Cl 269956a_100000741738_100011215043 [0,2,0,0,0,0|2,0,0]=4 1114 B16R1.111 O=C(O)C[C@@H](NCCF)c1ccc(cc1)Cl 269956a_102495366484_100011217306 [0,2,0,0,0,0|1,0,0]=3 1115 B16R1.111 O=C(O)C[C@@H](NCCO)c1ccc(cc1)Cl 269956a_102495366484_100000211926 [0,2,0,0,0,0|1,0,0]=3 1116 B16R1.111 O=CCNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200015260668 [0,2,0,0,0,0|1,1,0]=4 1117 B16R1.111 O=CCNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200015260668 [0,2,0,0,0,0|1,1,0]=4 1118 B16R1.111 O=CCNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200015260668 [0,2,0,0,0,0|2,0,0]=4 1119 B16R1.111 O=CCN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200015260668 [0,2,0,0,0,0|1,0,0]=3 1120 B16R1.3295 C#CC(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000035995 [0,2,0,0,0,0|2,0,0]=4 1121 B16R1.3295 C=CC(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011215867 [0,2,0,0,0,0|2,0,0]=4 1122 B16R1.3295 CC(C#N)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000184139 [0,2,0,0,0,0|1,0,1]=4 1123 B16R1.3295 CCC(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000758301 [0,2,0,0,0,0|2,0,0]=4 1124 B16R1.3295 COC(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100009879195 [0,2,0,0,0,0|2,0,0]=4 1125 B16R1.3295 C[C@H](CO)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100016084084 [0,2,0,0,0,0|2,0,0]=4 1126 B16R1.5341 O=C(CO)NC(CCO)c1ccc(cc1)Cl 240690a_100000730317_100000210174 [0,2,0,0,0,0|2,0,0]=4 1127 B16R1.5341 O=C(CO)NC(CCO)c1ccc(cc1)Cl 527a_100000730317_100000210174 [0,2,0,0,0,0|2,0,0]=4 1128 B16R1.13931 CCNC(CC(=O)O)c1ccc(c(c1)C)C 269956a_100011338279_100000210202 [0,2,0,0,0,0|2,0,0]=4 1129 B16R1.13931 CCNC(CC(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100011224105_100000210202 [0,2,0,0,0,0|1,0,0]=3 1130 B16R1.13931 Cc1ccc(cc1C)C(CC(=O)O)NCF 269956a_100011338279_100015361967 [0,2,0,0,0,0|2,0,0]=4 1131 B16R1.13931 O=C(O)CC(NCF)c1ccc(c(c1)Cl)Cl 269956a_100011224105_100015361967 [0,2,0,0,0,0|1,0,0]=3 1132 B16R1.16567 C=C(C)CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000748629 [0,2,0,0,0,0|2,0,0]=4 1133 B16R1.16567 C=C(F)CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000042424 [0,2,0,0,0,0|2,0,0]=4 1134 B16R1.16567 CC(=O)CC(CC(=O)N)c1ccc(cc1)Cl 1458a_100000022657_200000210301 [0,2,0,0,0,0|1,0,0]=3 1135 B16R1.16567 CC(C)CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000210760 [0,2,0,0,0,0|2,0,0]=4 1136 B16R1.16567 CC(C)NC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_100000210206 [0,2,0,0,0,0|1,1,0]=4 1137 B16R1.16567 CC(C)NC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_100000210206 [0,2,0,0,0,0|1,1,0]=4 1138 B16R1.16567 CC(C)NC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_100000210206 [0,2,0,0,0,0|2,0,0]=4 1139 B16R1.16567 CC(C)N[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_100000210206 [0,2,0,0,0,0|1,0,0]=3 1140 B16R1.16567 CC(O)CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100011218427 [0,2,0,0,0,0|2,0,0]=4 1141 B16R1.16567 C[C@@H](O)CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100009817552 [0,2,0,0,0,0|2,0,0]=4 1142 B16R1.16567 Cc1ccc(cc1)C(CC(=O)O)NC(C)C 269956a_100000183803_100000210206 [0,2,0,0,0,0|2,0,0]=4 1143 B16R1.16567 NC(=O)CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_100000187820 [0,2,0,0,0,0|1,1,0]=4 1144 B16R1.16567 NC(=O)CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000187820 [0,2,0,0,0,0|1,0,0]=3 1145 B16R1.16567 NC(=O)CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_100000187820 [0,2,0,0,0,0|1,1,0]=4 1146 B16R1.16567 NC(=O)CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_100000187820 [0,2,0,0,0,0|1,1,0]=4 1147 B16R1.16567 O=C(O)CN(CC(F)F)c1ccc(cc1)Cl 269956a_100000741738_100011934356 [0,2,0,0,0,0|2,0,0]=4 1148 B16R1.16567 O=C(O)CN(C[N+](=O)[O-])c1ccc(cc1)Cl 269956a_100000741738_100000761209 [0,2,0,0,0,0|1,0,1]=4 1149 B16R1.16567 O=C([O-])CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100020667443 [0,2,0,0,0,0|2,0,0]=4 1150 B16R1.16567 [13CH3]C(=O)CC(CC(=O)N)c1ccc(cc1)Cl 1458a_100000022657_200025704644 [0,2,0,0,0,0|1,0,0]=3 1151 B16R1.65813 CCNC(CC(=O)O)c1ccc(cc1Cl)Cl 269956a_200011224112_100000210202 [0,2,0,0,0,0|1,0,0]=3 1152 B16R1.65813 CCNC(CC(=O)O)c1ccc(cc1F)F 269956a_100000759734_100000210202 [0,2,0,0,0,0|1,1,0]=4 1153 B16R1.65813 O=C(O)CC(NCF)c1ccc(cc1Cl)Cl 269956a_200011224112_100015361967 [0,2,0,0,0,0|1,0,0]=3 1154 B16R1.65813 O=C(O)CC(NCF)c1ccc(cc1F)F 269956a_100000759734_100015361967 [0,2,0,0,0,0|1,1,0]=4 1155 B16R1.6923 CC(C)(C)N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_100000211941 [0,2,0,0,0,0|2,0,0]=4 1156 B16R1.6923 O=C(O)CN(c1ccc(cc1)Cl)C(F)(F)F 269956a_100000741738_200000243211 [0,2,0,0,0,0|2,0,0]=4 1157 B16R1.17392 CC(C)C(NC(=O)CO)c1ccc(cc1)Cl 240690a_100015204473_100000210174 [0,2,0,0,0,0|2,0,0]=4 1158 B16R1.17392 CC(C)C(NC(=O)CO)c1ccc(cc1)Cl 527a_100015204473_100000210174 [0,2,0,0,0,0|2,0,0]=4 1159 B16R1.17392 COC(=O)CN(c1ccc(cc1)Cl)C(C)C 2230a_100000749197_100000747449 [0,2,0,0,0,0|2,0,0]=4 1160 B16R1.17392 COC(=O)CN(c1ccc(cc1)Cl)C(C)C 269982a_100000749197_100000747449 [0,2,0,0,0,0|2,0,0]=4 1161 B16R1.17392 COC(=O)CN(c1ccc(cc1)Cl)C(C)C 34a_100000749197_100000747449 [0,2,0,0,0,0|2,0,0]=4 1162 B16R1.17392 COC(=O)CN(c1ccc(cc1)Cl)C(C)C 7a_100000749197_100000747449 [0,2,0,0,0,0|2,0,0]=4 1163 B16R1.1629 CCN(c1ccc(cc1)Cl)C(C)C(=O)OC 2230a_100000220165_100000211248 [0,2,0,0,0,0|2,0,0]=4 1164 B16R1.1629 CCN(c1ccc(cc1)Cl)C(C)C(=O)OC 269982a_100000220165_100000211248 [0,2,0,0,0,0|2,0,0]=4 1165 B16R1.1629 CCN(c1ccc(cc1)Cl)C(C)C(=O)OC 34a_100000220165_100000211248 [0,2,0,0,0,0|2,0,0]=4 1166 B16R1.25205 O=C(CO)NC(CO)c1ccc(c(c1)Cl)Cl 240690a_100011404344_100000210174 [0,2,0,0,0,0|2,0,0]=4 1167 B16R1.25205 O=C(CO)NC(CO)c1ccc(c(c1)Cl)Cl 527a_100011404344_100000210174 [0,2,0,0,0,0|2,0,0]=4 1168 B16R1.1521 C=COC(=O)CN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000036128 [0,2,0,0,0,0|2,0,0]=4 1169 B16R1.1521 C=COC(=O)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000036128 [0,2,0,0,0,0|2,0,0]=4 1170 B16R1.1521 C=COC(=O)CN(CC)c1ccc(cc1)Cl 34a_100000220165_100000036128 [0,2,0,0,0,0|2,0,0]=4 1171 B16R1.1521 CCN(CC(=O)NCO)c1ccc(cc1)Cl 2230a_100000220165_100000185155 [0,2,0,0,0,0|2,0,0]=4 1172 B16R1.1521 CCN(CC(=O)NCO)c1ccc(cc1)Cl 269982a_100000220165_100000185155 [0,2,0,0,0,0|2,0,0]=4 1173 B16R1.1521 CCN(CC(=O)NCO)c1ccc(cc1)Cl 34a_100000220165_100000185155 [0,2,0,0,0,0|2,0,0]=4 1174 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000188475 [0,2,0,0,0,0|2,0,0]=4 1175 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 2230a_200000220156_100000210202 [0,2,0,0,0,0|2,0,0]=4 1176 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000188475 [0,2,0,0,0,0|2,0,0]=4 1177 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 269982a_200000220156_100000204670 [0,2,0,0,0,0|2,0,0]=4 1178 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 34a_100000220165_100000188475 [0,2,0,0,0,0|2,0,0]=4 1179 B16R1.1521 CCOC(=O)CN(CF)c1ccc(cc1)Cl 269982a_200000220156_100015361967 [0,2,0,0,0,0|2,0,0]=4 1180 B16R1.1521 CC[C@H](NC(=O)CCO)c1ccc(cc1)Cl 240690a_100015186824_100011216618 [0,2,0,0,0,0|2,0,0]=4 1181 B16R1.1521 CC[C@H](NC(=O)COC)c1ccc(cc1)Cl 11a_100015186824_100000210968 [0,2,0,0,0,0|2,0,0]=4 1182 B16R1.1521 CC[C@H](NC(=O)COC)c1ccc(cc1)Cl 1626a_100015186824_100000210968 [0,2,0,0,0,0|2,0,0]=4 1183 B16R1.1521 CC[C@H](NC(=O)COC)c1ccc(cc1)Cl 240690a_100015186824_100000210968 [0,2,0,0,0,0|2,0,0]=4 1184 B16R1.1521 CC[C@H](NC(=O)COC)c1ccc(cc1)Cl 527a_100015186824_100000210968 [0,2,0,0,0,0|2,0,0]=4 1185 B16R1.1521 COCC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100000210968 [0,2,0,0,0,0|2,0,0]=4 1186 B16R1.1521 COCC(=O)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100000210968 [0,2,0,0,0,0|2,0,0]=4 1187 B16R1.1521 O=C(CCO)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100011216618 [0,2,0,0,0,0|2,0,0]=4 1188 B16R1.104603 CCN(CC(=O)OC)c1ccc(cc1Cl)Cl 269982a_100160557746_100000747449 [0,2,0,0,0,0|2,0,0]=4 1189 B16R1.104603 CCN(CC(=O)OC)c1ccc(cc1Cl)Cl 34a_100160557746_100000747449 [0,2,0,0,0,0|2,0,0]=4 1190 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200000210301 [1,0,0,1,0,0|1,0,0]=3 1191 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200000210301 [1,0,0,1,0,0|1,1,0]=4 1192 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200000210301 [1,0,0,1,0,0|1,1,0]=4 1193 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200025704644 [1,0,0,1,0,0|1,0,0]=3 1194 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200025704644 [1,0,0,1,0,0|1,1,0]=4 1195 B14R2.4402 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200025704644 [1,0,0,1,0,0|1,1,0]=4 1196 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [1,0,0,1,0,0|2,0,0]=4 1197 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [1,0,0,1,0,0|2,0,0]=4 1198 B14R2.10595 CC(=O)C1(CC1)c2ccc(cc2)Cl 1458a_100000211654_200000210301 [0,0,0,1,1,0|2,0,0]=4 1199 B14R2.10595 [13CH3]C(=O)C1(CC1)c2ccc(cc2)Cl 1458a_100000211654_200025704644 [0,0,0,1,1,0|2,0,0]=4 1200 B16R2.131 O=C1CN(CCO1)Cc2ccc(cc2)Cl 2230a_100000131268_100000694040 [0,0,0,1,0,1|2,0,0]=4 1201 B16R2.131 O=C1CN(CCO1)Cc2ccc(cc2)Cl 270004a_100000131268_100000189385 [0,0,0,1,0,1|2,0,0]=4 1202 B16R2.33333 O=C(O)C1CCN1Cc2ccc(cc2)Cl 269956a_100000021838_100000187161 [0,0,0,1,0,1|2,0,0]=4 1203 B16R2.2215 NCC(OCC1CO1)c2ccc(cc2)Cl 34a_100000736658_102125554688 [0,0,0,1,0,1|1,0,1]=4 1204 B16R2.2865 CC(=O)N1CCC(C1)c2ccc(cc2)Cl 11a_100000754569_100015343762 [0,0,0,1,0,1|2,0,0]=4 1205 B16R2.2865 CC(=O)N1CCC(C1)c2ccc(cc2)Cl 1626a_100000754569_100015343762 [0,0,0,1,0,1|2,0,0]=4 1206 B16R2.2865 CC(=O)N1CCC(C1)c2ccc(cc2)Cl 240690a_100000754569_100015343762 [0,0,0,1,0,1|2,0,0]=4 1207 B16R2.2865 CC(=O)N1CCC(C1)c2ccc(cc2)Cl 527a_100000754569_100103153847 [0,0,0,1,0,1|2,0,0]=4 1208 B16R2.2976 NC(=O)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000747473 [0,0,0,1,0,1|2,0,0]=4 1209 B16R2.2976 NC(=O)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000187820 [0,0,0,1,0,1|2,0,0]=4 1210 B16R2.2976 NC(=O)CN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000747473 [0,0,0,1,0,1|2,0,0]=4 1211 B16R2.2976 NC(=O)COC1CCc2c1ccc(c2)Cl 34a_100012002497_100000187820 [0,0,0,1,0,1|2,0,0]=4 1212 B16R2.2976 NC(=O)COC1CCc2c1ccc(c2)Cl 7a_100012002497_100000187820 [0,0,0,1,0,1|2,0,0]=4 1213 B16R2.2976 O=C([O-])CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100020667443 [0,0,0,1,0,1|1,0,1]=4 1214 B16R2.2976 O=C([O-])COC1CCc2c1ccc(c2)Cl 34a_100012002497_100020667443 [0,0,0,1,0,1|1,0,1]=4 1215 B16R2.33098 CC(=O)NCC1(CC1)c2ccc(cc2)Cl 11a_100000750706_100015343762 [0,0,0,1,0,1|2,0,0]=4 1216 B16R2.33098 CC(=O)NCC1(CC1)c2ccc(cc2)Cl 1626a_100000750706_100015343762 [0,0,0,1,0,1|2,0,0]=4 1217 B16R2.33098 CC(=O)NCC1(CC1)c2ccc(cc2)Cl 240690a_100000750706_100015343762 [0,0,0,1,0,1|2,0,0]=4 1218 B16R2.33098 CC(=O)NCC1(CC1)c2ccc(cc2)Cl 527a_100000750706_100103153847 [0,0,0,1,0,1|2,0,0]=4 1219 B16R2.33098 NC(=O)CNC1(CC1)c2ccc(cc2)Cl 2230a_100015183379_100000747473 [0,0,0,1,0,1|2,0,0]=4 1220 B16R2.33098 NC(=O)CNC1(CC1)c2ccc(cc2)Cl 34a_100015183379_100000187820 [0,0,0,1,0,1|2,0,0]=4 1221 B16R2.33098 O=C([O-])CNC1(CC1)c2ccc(cc2)Cl 34a_100015183379_100020667443 [0,0,0,1,0,1|1,0,1]=4 1222 B16R2.33398 O=C(O)CN(c1ccc(cc1)Cl)C2CC2 269956a_100000741738_100000211595 [0,1,0,1,0,0|2,0,0]=4 1223 B16R2.34300 O=C(CO)NC1(CC1)c2ccc(cc2)Cl 240690a_100015183379_100000210174 [0,1,0,1,0,0|2,0,0]=4 1224 B16R2.34300 O=C(CO)NC1(CC1)c2ccc(cc2)Cl 527a_100015183379_100000210174 [0,1,0,1,0,0|2,0,0]=4 1225 B16R2.34357 O=C(CO)NC1CCc2c1ccc(c2)Cl 240690a_100000743821_100000210174 [0,1,0,1,0,0|2,0,0]=4 1226 B16R2.34357 O=C(CO)NC1CCc2c1ccc(c2)Cl 527a_100000743821_100000210174 [0,1,0,1,0,0|2,0,0]=4 1227 B16R2.34357 O=C(CO)N[C@@H]1COc2c1ccc(c2)Cl 240690a_100138412546_100000210174 [0,1,0,1,0,0|2,0,0]=4 1228 B16R2.34357 O=C(CO)N[C@@H]1COc2c1ccc(c2)Cl 527a_100138412546_100000210174 [0,1,0,1,0,0|2,0,0]=4 1229 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [1,0,0,0,1,0|1,1,0]=4 1230 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [1,0,0,0,1,0|2,0,0]=4 1231 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [1,0,0,0,1,0|2,0,0]=4 1232 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [1,0,0,0,1,0|1,0,0]=3 1233 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [1,0,0,0,1,0|1,0,0]=3 1234 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [1,0,0,0,1,0|1,1,0]=4 1235 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [1,0,0,0,1,0|1,1,0]=4 1236 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [1,0,0,0,1,0|2,0,0]=4 1237 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [1,0,0,0,1,0|2,0,0]=4 1238 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [1,0,0,0,1,0|2,0,0]=4 1239 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [1,0,0,0,1,0|2,0,0]=4 1240 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [1,0,0,0,1,0|2,0,0]=4 1241 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [1,0,0,0,1,0|2,0,0]=4 1242 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [1,0,0,0,1,0|1,0,0]=3 1243 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [1,0,0,0,1,0|1,1,0]=4 1244 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [1,0,0,0,1,0|2,0,0]=4 1245 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [1,0,0,0,1,0|2,0,0]=4 1246 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [1,0,0,0,1,0|2,0,0]=4 1247 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [1,0,0,0,1,0|2,0,0]=4 1248 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [1,0,0,0,1,0|2,0,0]=4 1249 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [1,0,0,0,1,0|2,0,0]=4 1250 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [1,0,0,0,1,0|2,0,0]=4 1251 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [1,0,0,0,1,0|2,0,0]=4 1252 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [1,0,0,0,1,0|2,0,0]=4 1253 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [1,0,0,0,1,0|2,0,0]=4 1254 B14R1.72 CCN(CC=O)Cc1ccc(cc1)Cl 2230a_100000180830_200015260668 [1,0,0,0,0,1|2,0,0]=4 1255 B14R1.72 CCN(CC=O)Cc1ccc(cc1)Cl 269982a_100000180830_200015260668 [1,0,0,0,0,1|2,0,0]=4 1256 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000748629 [1,0,0,0,0,1|2,0,0]=4 1257 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000748629 [1,0,0,0,0,1|2,0,0]=4 1258 B14R1.678 C=C(C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000748629 [1,0,0,0,0,1|2,0,0]=4 1259 B14R1.678 C=C(C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000748629 [1,0,0,0,0,1|2,0,0]=4 1260 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)Cl 62a_100000684792_100000211660 [1,0,0,0,0,1|2,0,0]=4 1261 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)Cl 62a_100000748629_100000684792 [1,0,0,0,0,1|2,0,0]=4 1262 B14R1.678 C=C(F)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100009893438 [1,0,0,0,0,1|2,0,0]=4 1263 B14R1.678 C=C(F)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100009893438 [1,0,0,0,0,1|2,0,0]=4 1264 B14R1.678 C=C(F)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100009893438 [1,0,0,0,0,1|2,0,0]=4 1265 B14R1.678 C=C(F)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000042424 [1,0,0,0,0,1|2,0,0]=4 1266 B14R1.678 C=C(F)CSC(C)c1ccc(cc1)Cl 62a_100000042424_100000684792 [1,0,0,0,0,1|2,0,0]=4 1267 B14R1.678 C=C(F)CSC(C)c1ccc(cc1)Cl 62a_100000684792_100000042424 [1,0,0,0,0,1|2,0,0]=4 1268 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000053229 [1,0,0,0,0,1|2,0,0]=4 1269 B14R1.678 CC(=O)COC(C)c1ccc(cc1)Br 34a_100000211253_100000755118 [1,0,0,0,0,1|1,1,0]=4 1270 B14R1.678 CC(=O)COC(C)c1ccc(cc1)C 34a_100000211253_100011261388 [1,0,0,0,0,1|2,0,0]=4 1271 B14R1.678 CC(=O)COC(C)c1ccc(cc1)F 34a_100000211253_100000743420 [1,0,0,0,0,1|1,1,0]=4 1272 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [1,0,0,0,0,1|2,0,0]=4 1273 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [1,0,0,0,0,1|2,0,0]=4 1274 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100015343762 [1,0,0,0,0,1|2,0,0]=4 1275 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100015343762 [1,0,0,0,0,1|2,0,0]=4 1276 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100103153847 [1,0,0,0,0,1|2,0,0]=4 1277 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000076356 [1,0,0,0,0,1|2,0,0]=4 1278 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Cl 34a_100020629279_100009813279 [1,0,0,0,0,1|2,0,0]=4 1279 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Br 2230a_100000711301_100000755118 [1,0,0,0,0,1|1,1,0]=4 1280 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Cl 2230a_100000711301_100000684792 [1,0,0,0,0,1|1,0,0]=3 1281 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)F 2230a_100000711301_100000743420 [1,0,0,0,0,1|1,1,0]=4 1282 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Br 269956a_100016091260_100000755118 [1,0,0,0,0,1|0,1,0]=3 1283 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Cl 269956a_100016091260_100000684792 [1,0,0,0,0,1|0,0,0]=2 1284 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)F 269956a_100016091260_100000743420 [1,0,0,0,0,1|0,1,0]=3 1285 B14R1.678 CC(O)CNC(C)c1ccc(cc1)Cl 2230a_100000210904_100000684792 [1,0,0,0,0,1|1,0,1]=4 1286 B14R1.678 CC(O)CNC(C)c1ccc(cc1)Cl 269862a_100000210904_100000185797 [1,0,0,0,0,1|1,0,1]=4 1287 B14R1.678 CC(O)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011218427 [1,0,0,0,0,1|1,0,1]=4 1288 B14R1.678 CC(O)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011218427 [1,0,0,0,0,1|1,0,1]=4 1289 B14R1.678 CC(O)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218427 [1,0,0,0,0,1|1,0,1]=4 1290 B14R1.678 CC(O)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011218427 [1,0,0,0,0,1|1,0,1]=4 1291 B14R1.678 CC(O)CSC(C)c1ccc(cc1)Cl 62a_100000684792_100011218427 [1,0,0,0,0,1|1,0,1]=4 1292 B14R1.678 CC(O)CSC(C)c1ccc(cc1)Cl 62a_100011218427_100000684792 [1,0,0,0,0,1|1,0,1]=4 1293 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 34a_100000745893_100000187820 [1,0,0,0,0,1|1,1,0]=4 1294 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 7a_100000745893_100000187820 [1,0,0,0,0,1|1,1,0]=4 1295 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 34a_100000181323_100000187820 [1,0,0,0,0,1|1,1,0]=4 1296 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 7a_100000181323_100000187820 [1,0,0,0,0,1|1,1,0]=4 1297 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)N 34a_100011216399_100000187820 [1,0,0,0,0,1|2,0,0]=4 1298 B14R1.678 CC(OCC(=O)N)c1ccc(nc1)Cl 34a_200012017543_100000187820 [1,0,0,0,0,1|2,0,0]=4 1299 B14R1.678 CC(OCC(=O)N)c1ccc(nc1)Cl 7a_200012017543_100000187820 [1,0,0,0,0,1|2,0,0]=4 1300 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100000745893_100020667443 [1,0,0,0,0,1|0,1,1]=4 1301 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)F 34a_100000181323_100020667443 [1,0,0,0,0,1|0,1,1]=4 1302 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)N 34a_100011216399_100020667443 [1,0,0,0,0,1|1,0,1]=4 1303 B14R1.678 CC(OCC(=O)[O-])c1ccc(nc1)Cl 34a_200012017543_100020667443 [1,0,0,0,0,1|1,0,1]=4 1304 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000747473_100000755118 [1,0,0,0,0,1|1,1,0]=4 1305 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000755118_100000747473 [1,0,0,0,0,1|1,1,0]=4 1306 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000684792_100000747473 [1,0,0,0,0,1|1,0,0]=3 1307 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000747473_100000684792 [1,0,0,0,0,1|1,0,0]=3 1308 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000743420_100000747473 [1,0,0,0,0,1|1,1,0]=4 1309 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000747473_100000743420 [1,0,0,0,0,1|1,1,0]=4 1310 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Br 62a_100000755118_100020667443 [1,0,0,0,0,1|0,1,1]=4 1311 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Br 62a_100020667443_100000755118 [1,0,0,0,0,1|0,1,1]=4 1312 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Cl 62a_100000684792_100020667443 [1,0,0,0,0,1|0,0,1]=3 1313 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Cl 62a_100020667443_100000684792 [1,0,0,0,0,1|0,0,1]=3 1314 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)F 62a_100000743420_100020667443 [1,0,0,0,0,1|0,1,1]=4 1315 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)F 62a_100020667443_100000743420 [1,0,0,0,0,1|0,1,1]=4 1316 B14R1.678 CC(SC[C@@H](C)O)c1ccc(cc1)Cl 62a_100000684792_100009817552 [1,0,0,0,0,1|1,0,1]=4 1317 B14R1.678 CC(SC[C@@H](C)O)c1ccc(cc1)Cl 62a_100009817552_100000684792 [1,0,0,0,0,1|1,0,1]=4 1318 B14R1.678 CC(SC[N+](=O)[O-])c1ccc(cc1)Cl 62a_100000684792_100000761209 [1,0,0,0,0,1|1,0,1]=4 1319 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000744528 [1,0,0,0,0,1|2,0,0]=4 1320 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000744528 [1,0,0,0,0,1|2,0,0]=4 1321 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000731001 [1,0,0,0,0,1|2,0,0]=4 1322 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100000720352_100000747473 [1,0,0,0,0,1|1,1,0]=4 1323 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015205461_100000747473 [1,0,0,0,0,1|1,0,0]=3 1324 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015205461_100000187820 [1,0,0,0,0,1|1,0,0]=3 1325 B14R1.678 C[C@@H](NCC(=O)[O-])c1ccc(cc1)Cl 34a_100015205461_100020667443 [1,0,0,0,0,1|0,0,1]=3 1326 B14R1.678 C[C@@H](NC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100015205461_100000761209 [1,0,0,0,0,1|1,0,1]=4 1327 B14R1.678 C[C@@H](O)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100009817552 [1,0,0,0,0,1|1,0,1]=4 1328 B14R1.678 C[C@@H](O)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100009817552 [1,0,0,0,0,1|1,0,1]=4 1329 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 2230a_100025705893_100000747473 [1,0,0,0,0,1|1,1,0]=4 1330 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 34a_100025705893_100000187820 [1,0,0,0,0,1|1,1,0]=4 1331 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)I 2230a_100000753911_100000747473 [1,0,0,0,0,1|1,1,0]=4 1332 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)O 2230a_100161106496_100000747473 [1,0,0,0,0,1|2,0,0]=4 1333 B14R1.678 C[C@H](NCC(=O)[O-])c1ccc(cc1)F 34a_100025705893_100020667443 [1,0,0,0,0,1|0,1,1]=4 1334 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 34a_100011852131_100000187820 [1,0,0,0,0,1|1,0,0]=3 1335 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 7a_100011852131_100000187820 [1,0,0,0,0,1|1,0,0]=3 1336 B14R1.678 C[C@H](OCC(=O)[O-])c1ccc(cc1)Cl 34a_100011852131_100020667443 [1,0,0,0,0,1|0,0,1]=3 1337 B14R1.678 C[C@H](OC[C@@H](C)O)c1ccc(cc1)Cl 34a_100011852131_100009817552 [1,0,0,0,0,1|1,0,1]=4 1338 B14R1.678 C[C@H](OC[C@@H](C)O)c1ccc(cc1)Cl 7a_100011852131_100009817552 [1,0,0,0,0,1|1,0,1]=4 1339 B14R1.678 C[C@H](OC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100011852131_100000761209 [1,0,0,0,0,1|1,0,1]=4 1340 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)N 2230a_100000711301_100011261388 [1,0,0,0,0,1|2,0,0]=4 1341 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)O 269956a_100016091260_100011261388 [1,0,0,0,0,1|1,0,0]=3 1342 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100000747473_100011261388 [1,0,0,0,0,1|2,0,0]=4 1343 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100011261388_100000747473 [1,0,0,0,0,1|2,0,0]=4 1344 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)[O-] 62a_100011261388_100020667443 [1,0,0,0,0,1|1,0,1]=4 1345 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)[O-] 62a_100020667443_100011261388 [1,0,0,0,0,1|1,0,1]=4 1346 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 2230a_100016988085_100000747473 [1,0,0,0,0,1|2,0,0]=4 1347 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 34a_100016988085_100000187820 [1,0,0,0,0,1|2,0,0]=4 1348 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)[O-] 34a_100016988085_100020667443 [1,0,0,0,0,1|1,0,1]=4 1349 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 34a_100000690690_100000187820 [1,0,0,0,0,1|2,0,0]=4 1350 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 7a_100000690690_100000187820 [1,0,0,0,0,1|2,0,0]=4 1351 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)[O-] 34a_100000690690_100020667443 [1,0,0,0,0,1|1,0,1]=4 1352 B14R1.698 CC(=O)CC(C)Oc1ccc(cc1)F 1458a_100000070787_100010228477 [1,0,0,0,0,1|1,1,0]=4 1353 B14R1.698 CC(=O)CC(C)Sc1ccc(cc1)Cl 1458a_100011219718_200000210301 [1,0,0,0,0,1|1,0,0]=3 1354 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009818208 [1,0,0,0,0,1|2,0,0]=4 1355 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Cl 62a_100009818208_100000755918 [1,0,0,0,0,1|2,0,0]=4 1356 B14R1.698 CC(CC(=O)[13CH3])Sc1ccc(cc1)Cl 1458a_100011219718_200025704644 [1,0,0,0,0,1|1,0,0]=3 1357 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000184517_100000747473 [1,0,0,0,0,1|2,0,0]=4 1358 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000739694_100000694040 [1,0,0,0,0,1|2,0,0]=4 1359 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 269982a_100000184517_100000187820 [1,0,0,0,0,1|2,0,0]=4 1360 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 270004a_100000739694_100000189385 [1,0,0,0,0,1|2,0,0]=4 1361 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 34a_100000184517_100000187820 [1,0,0,0,0,1|2,0,0]=4 1362 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [1,0,0,0,0,1|1,1,0]=4 1363 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [1,0,0,0,0,1|1,0,0]=3 1364 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [1,0,0,0,0,1|1,0,0]=3 1365 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [1,0,0,0,0,1|1,1,0]=4 1366 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [1,0,0,0,0,1|1,1,0]=4 1367 B14R1.698 CN(CC(=O)O)Cc1ccc(cn1)Cl 269956a_100000746989_100012066911 [1,0,0,0,0,1|2,0,0]=4 1368 B14R1.698 CN(CC(=O)O)Cc1ccc(nc1)Cl 269956a_100000746989_100000735431 [1,0,0,0,0,1|2,0,0]=4 1369 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Cl 269982a_100000184517_100020667443 [1,0,0,0,0,1|1,0,1]=4 1370 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Cl 34a_100000184517_100020667443 [1,0,0,0,0,1|1,0,1]=4 1371 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [1,0,0,0,0,1|2,0,0]=4 1372 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [1,0,0,0,0,1|1,0,0]=3 1373 B14R1.540 C=C(C)COC(CN)c1ccccc1 34a_100000210709_100000748629 [1,0,0,0,0,1|2,0,0]=4 1374 B14R1.540 C=C(F)COC(CN)c1ccccc1 34a_100000210709_100009893438 [1,0,0,0,0,1|2,0,0]=4 1375 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [1,0,0,0,0,1|1,0,1]=4 1376 B14R1.540 CC(O)COC(CN)c1ccccc1 34a_100000210709_100011218427 [1,0,0,0,0,1|1,0,1]=4 1377 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [1,0,0,0,0,1|2,0,0]=4 1378 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [1,0,0,0,0,1|2,0,0]=4 1379 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [1,0,0,0,0,1|2,0,0]=4 1380 B14R1.540 CCC(OCC(=O)[O-])c1ccccc1 34a_100000698172_100020667443 [1,0,0,0,0,1|1,0,1]=4 1381 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [1,0,0,0,0,1|2,0,0]=4 1382 B14R1.540 C[C@@H](O)COC(CN)c1ccccc1 34a_100000210709_100009817552 [1,0,0,0,0,1|1,0,1]=4 1383 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747473 [1,0,0,0,0,1|2,0,0]=4 1384 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000187820 [1,0,0,0,0,1|2,0,0]=4 1385 B14R1.540 NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000187820 [1,0,0,0,0,1|2,0,0]=4 1386 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000187820 [1,0,0,0,0,1|2,0,0]=4 1387 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000187820 [1,0,0,0,0,1|2,0,0]=4 1388 B14R1.540 NCC(OCC(=O)N)c1ccccc1 34a_100000210709_100000187820 [1,0,0,0,0,1|1,0,0]=3 1389 B14R1.540 NCC(OCC(=O)[O-])c1ccccc1 34a_100000210709_100020667443 [1,0,0,0,0,1|0,0,1]=3 1390 B14R1.540 NCC(OC[N+](=O)[O-])c1ccccc1 34a_100000210709_100000761209 [1,0,0,0,0,1|1,0,1]=4 1391 B14R1.540 O=C([O-])CN[C@H](CO)c1ccccc1 34a_100000751927_100020667443 [1,0,0,0,0,1|1,0,1]=4 1392 B14R1.540 O=C([O-])CO[C@H](CCl)c1ccccc1 34a_100011933945_100020667443 [1,0,0,0,0,1|1,0,1]=4 1393 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [1,0,0,0,0,1|2,0,0]=4 1394 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [1,0,0,0,0,1|2,0,0]=4 1395 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [1,0,0,0,0,1|2,0,0]=4 1396 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [1,0,0,0,0,1|2,0,0]=4 1397 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [1,0,0,0,0,1|2,0,0]=4 1398 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [1,0,0,0,0,1|2,0,0]=4 1399 B14R1.536 CCC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000750255 [0,0,0,0,1,1|2,0,0]=4 1400 B14R1.536 CCC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000750255 [0,0,0,0,1,1|2,0,0]=4 1401 B14R1.536 CCC(Oc1ccc(cc1)Cl)C(=O)C 1458a_200000205294_200000210301 [0,0,0,0,1,1|2,0,0]=4 1402 B14R1.536 CCC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000750255 [0,0,0,0,1,1|2,0,0]=4 1403 B14R1.536 CCC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000750255 [0,0,0,0,1,1|2,0,0]=4 1404 B14R1.536 CCC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_200000205294_200025704644 [0,0,0,0,1,1|2,0,0]=4 1405 B14R1.536 CCC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000750255_100000755918 [0,0,0,0,1,1|2,0,0]=4 1406 B14R1.536 CCC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000750255 [0,0,0,0,1,1|2,0,0]=4 1407 B16R1.1682 CCN(CCc1ccc(cc1)Cl)CC(=O)O 269956a_100000746405_100011713675 [0,0,0,0,0,2|2,0,0]=4 1408 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(cc1)Br 269956a_100016995926_100011217064 [0,0,0,0,0,2|1,1,0]=4 1409 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(cc1)C 269956a_100016995926_100000210814 [0,0,0,0,0,2|2,0,0]=4 1410 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(cc1)Cl 269956a_100016995926_100000187161 [0,0,0,0,0,2|1,0,0]=3 1411 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(cc1)F 269956a_100016995926_100000198546 [0,0,0,0,0,2|1,1,0]=4 1412 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(cc1)I 269956a_100016995926_100000189116 [0,0,0,0,0,2|1,1,0]=4 1413 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(cn1)Cl 269956a_100016995926_100012066911 [0,0,0,0,0,2|2,0,0]=4 1414 B16R1.1682 CC[C@H](CC(=O)O)NCc1ccc(nc1)Cl 269956a_100016995926_100000735431 [0,0,0,0,0,2|2,0,0]=4 1415 B16R1.1682 Cc1ccc(cc1)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000210814 [0,0,0,0,0,2|2,0,0]=4 1416 B16R1.1682 O=C(O)C[C@@H](CO)NCc1ccc(cc1)Br 269956a_100009816507_100011217064 [0,0,0,0,0,2|1,1,0]=4 1417 B16R1.1682 O=C(O)C[C@@H](CO)NCc1ccc(cc1)Cl 269956a_100009816507_100000187161 [0,0,0,0,0,2|1,0,0]=3 1418 B16R1.1682 O=C(O)C[C@@H](CO)NCc1ccc(cc1)F 269956a_100009816507_100000198546 [0,0,0,0,0,2|1,1,0]=4 1419 B16R1.1682 O=C(O)C[C@@H](CO)NCc1ccc(cc1)I 269956a_100009816507_100000189116 [0,0,0,0,0,2|1,1,0]=4 1420 B16R1.1682 O=C(O)C[C@@H](CO)NCc1ccc(cn1)Cl 269956a_100009816507_100012066911 [0,0,0,0,0,2|2,0,0]=4 1421 B16R1.1682 O=C(O)C[C@@H](CO)NCc1ccc(nc1)Cl 269956a_100009816507_100000735431 [0,0,0,0,0,2|2,0,0]=4 1422 B16R1.4671 NC(=O)CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000747473 [0,0,0,0,0,2|2,0,0]=4 1423 B16R1.4671 NC(=O)CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000187820 [0,0,0,0,0,2|2,0,0]=4 1424 B16R1.4671 O=C([O-])CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100020667443 [0,0,0,0,0,2|1,0,1]=4 1425 B16R1.6618 C=C(C)CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000730704 [0,0,0,0,0,2|2,0,0]=4 1426 B16R1.6618 CC(=CCOC(CN)c1ccc(cc1)Cl)C 34a_100000736658_100000761012 [0,0,0,0,0,2|2,0,0]=4 1427 B16R1.6618 CC(=O)CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000053229 [0,0,0,0,0,2|2,0,0]=4 1428 B16R1.6618 CC(=O)OCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100009813279 [0,0,0,0,0,2|2,0,0]=4 1429 B16R1.6618 CC(=O)OCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100009813279 [0,0,0,0,0,2|2,0,0]=4 1430 B16R1.6618 CC(=O)OCOC(CN)c1ccc(cc1)Br 34a_100020626992_100009813279 [0,0,0,0,0,2|1,1,0]=4 1431 B16R1.6618 CC(=O)OCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100009813279 [0,0,0,0,0,2|1,0,0]=3 1432 B16R1.6618 CC(O)CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100012276601 [0,0,0,0,0,2|1,0,1]=4 1433 B16R1.6618 CCC(NCCC(=O)N)c1ccc(cc1)Cl 269862a_100000740010_100000210983 [0,0,0,0,0,2|2,0,0]=4 1434 B16R1.6618 CCC(OCCC(=O)C)c1ccc(cc1)Cl 7a_100000246471_100000053229 [0,0,0,0,0,2|2,0,0]=4 1435 B16R1.6618 CCC(OCCC(=O)N)c1ccc(cc1)Cl 34a_100000246471_100000731001 [0,0,0,0,0,2|2,0,0]=4 1436 B16R1.6618 CCC(OCCC(=O)N)c1ccc(cc1)Cl 7a_100000246471_100000744528 [0,0,0,0,0,2|2,0,0]=4 1437 B16R1.6618 CCC(OCOC(=O)C)c1ccc(cc1)Cl 34a_100000246471_100009813279 [0,0,0,0,0,2|2,0,0]=4 1438 B16R1.6618 CC[C@H](NCCC(=O)N)c1ccc(cc1)Cl 2230a_100015186824_100000744528 [0,0,0,0,0,2|2,0,0]=4 1439 B16R1.6618 CC[C@H](NCCC(=O)N)c1ccc(cc1)Cl 34a_100015186824_100000731001 [0,0,0,0,0,2|2,0,0]=4 1440 B16R1.6618 CC[C@H](NCOC(=O)C)c1ccc(cc1)Cl 34a_100015186824_100009813279 [0,0,0,0,0,2|2,0,0]=4 1441 B16R1.6618 NC(=O)CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000744528 [0,0,0,0,0,2|2,0,0]=4 1442 B16R1.6618 NC(=O)CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000731001 [0,0,0,0,0,2|2,0,0]=4 1443 B16R1.6618 NC(=O)CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000731001 [0,0,0,0,0,2|2,0,0]=4 1444 B16R1.6618 NC(=O)CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000744528 [0,0,0,0,0,2|2,0,0]=4 1445 B16R1.6618 NCC(OCCC(=O)N)c1ccc(cc1)Br 34a_100020626992_100000731001 [0,0,0,0,0,2|1,1,0]=4 1446 B16R1.6618 NCC(OCCC(=O)N)c1ccc(cc1)Cl 34a_100000736658_100000731001 [0,0,0,0,0,2|1,0,0]=3