0 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.43 C=C(C)C(=O)Cc1cccnn1 1458a_100000185857_100016990269 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.43 C=C(C)C(=O)Cc1cnccn1 1458a_100000185857_100016995436 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.43 C=C(C)C(=O)Cc1cncnc1 1458a_100000185857_100015196519 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.43 C=C(C)C(=O)Cc1ncccn1 1458a_100000185857_100000703007 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,0,0|2,0,1]=3 28 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,0,0|2,0,1]=3 29 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,0,0|1,0,2]=3 49 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,0,0,0,0,0|2,0,1]=3 51 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,0,0,0,0,0|3,0,1]=4 58 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,0,0|2,0,1]=3 61 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.43 CC(F)C(=O)Cc1cccnc1 1458a_100000062450_100000733263 [0,0,0,0,0,0|3,0,1]=4 65 B12R1.43 CC(F)C(=O)Cc1ccncc1 1458a_100000062450_100000705612 [0,0,0,0,0,0|3,0,1]=4 66 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 11a_100102631434_200000086051 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 240690a_100102631434_200000086051 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 527a_100102631434_200000086051 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.43 CN(C)C(=O)Cc1ccncc1 11a_100102631434_100011201483 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.43 CN(C)C(=O)Cc1ccncc1 240690a_100102631434_100011201483 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,0,0,0,0,0|1,0,1]=2 88 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,0,0,0,0,0|2,0,1]=3 89 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,0,0,0,0,0|2,0,1]=3 90 B12R1.43 C[C@@H](O)C(=O)Cc1cccnn1 1458a_100000717761_100016990269 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,0,0,0,0,0|2,0,1]=3 92 B12R1.43 C[C@@H](O)C(=O)Cc1cnccn1 1458a_100000717761_100016995436 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.43 C[C@@H](O)C(=O)Cc1cncnc1 1458a_100000717761_100015196519 [0,0,0,0,0,0|3,0,1]=4 94 B12R1.43 C[C@@H](O)C(=O)Cc1ncccn1 1458a_100000717761_100000703007 [0,0,0,0,0,0|3,0,1]=4 95 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,0,0,0,0|2,0,1]=3 96 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,0,0,0,0,0|1,0,1]=2 97 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,0,0,0,0,0|2,0,1]=3 98 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,0,0,0,0,0|2,0,1]=3 99 B12R1.43 C[C@H](O)C(=O)Cc1cccnn1 1458a_217856618621_100016990269 [0,0,0,0,0,0|3,0,1]=4 100 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,0,0,0,0,0|2,0,1]=3 101 B12R1.43 C[C@H](O)C(=O)Cc1cnccn1 1458a_217856618621_100016995436 [0,0,0,0,0,0|3,0,1]=4 102 B12R1.43 C[C@H](O)C(=O)Cc1cncnc1 1458a_217856618621_100015196519 [0,0,0,0,0,0|3,0,1]=4 103 B12R1.43 C[C@H](O)C(=O)Cc1ncccn1 1458a_217856618621_100000703007 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,0,0,0,0|2,0,1]=3 105 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,0,0,0,0|2,0,1]=3 106 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,0,0,0,0|2,0,0]=2 107 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,0,0,0,0|3,0,1]=4 111 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,0,0,0,0|3,0,1]=4 112 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,0,0,0,0,0|0,0,2]=2 113 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,0,0,0,0,0|1,0,2]=3 114 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,0,0,0,0,0|1,0,2]=3 115 B12R1.43 O=C(Cc1cccnn1)C(O)O 1458a_100000233687_100016990269 [0,0,0,0,0,0|2,0,2]=4 116 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,0,0,0,0,0|1,0,2]=3 117 B12R1.43 O=C(Cc1cnccn1)C(O)O 1458a_100000233687_100016995436 [0,0,0,0,0,0|2,0,2]=4 118 B12R1.43 O=C(Cc1cncnc1)C(O)O 1458a_100000233687_100015196519 [0,0,0,0,0,0|2,0,2]=4 119 B12R1.43 O=C(Cc1ncccn1)C(O)O 1458a_100000233687_100000703007 [0,0,0,0,0,0|2,0,2]=4 120 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,0,0,0,0,0|3,0,1]=4 123 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,0,0,0,0|1,0,2]=3 125 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,0,0,0,0,0|2,0,2]=4 126 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,0,0,0,0,0|2,0,2]=4 127 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,0,0,0,0,0|2,0,2]=4 128 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,0,0,0,0,0|2,0,2]=4 129 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,0,0,0,0|2,0,1]=3 130 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,0,0,0,0|2,0,0]=2 133 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,0,0|1,0,2]=3 134 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,0,0,0,0,0|1,0,1]=3 135 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,0,0,0,0|2,0,0]=3 141 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.40 C=CC(=O)Cc1cncnc1 1458a_100000185746_100015196519 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.40 C=CC(=O)Cc1ncccn1 1458a_100000185746_100000703007 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,0,0,0,0,0|2,0,1]=4 149 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,0,0,0,0,0|1,0,1]=3 150 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,0,0,0,0,0|2,0,1]=4 151 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,0,0,0,0,0|2,0,1]=4 152 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,0,0,0,0|2,0,1]=4 156 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,0,0,0,0|2,0,1]=4 157 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,0,0,0,0|2,0,1]=4 158 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [1,0,0,0,0,0|2,0,1]=4 170 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [1,0,0,0,0,0|2,0,1]=4 171 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [1,0,0,0,0,0|2,0,1]=4 172 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,0,0,0,0|0,0,1]=2 173 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,0,0,0,0,0|1,0,1]=3 174 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,0,0,0,0,0|1,0,1]=3 175 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,0,0,0,0,0|1,0,1]=3 177 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [1,0,0,0,0,0|2,0,1]=4 178 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,0,0,0,0|1,0,1]=3 181 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,0,0,0,0|1,0,1]=3 182 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|1,0,2]=4 183 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|1,0,1]=3 184 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|1,0,1]=3 188 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|1,0,1]=3 189 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|2,0,0]=3 201 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,0|1,0,2]=4 214 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|1,0,2]=4 220 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|1,0,2]=4 221 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|1,0,2]=4 222 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|1,0,2]=4 223 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|1,0,2]=4 224 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|1,0,1]=3 225 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,0|2,0,1]=4 228 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|1,0,1]=3 229 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|2,0,1]=4 233 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,0,0,0,0|2,0,1]=4 235 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Br 1458a_100000185857_100000189115 [0,1,0,0,0,0|2,0,0]=3 246 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)C 1458a_100000185857_100000210814 [0,1,0,0,0,0|2,0,0]=3 247 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000185857_100000694040 [0,1,0,0,0,0|2,0,0]=3 248 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)F 1458a_100000185857_100000198546 [0,1,0,0,0,0|2,0,0]=3 249 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,1,0,0,0,0|2,0,0]=3 250 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)Br 1458a_100000185857_100000702658 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)C 1458a_100000185857_100000691093 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)Cl 1458a_100000185857_100012066911 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)F 1458a_100000185857_100000703193 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)Br 1458a_100000185857_100009831999 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)C 1458a_100000185857_100016987292 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)Cl 1458a_100000185857_100000735431 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)F 1458a_100000185857_100009820150 [0,1,0,0,0,0|3,0,0]=4 258 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,0,0,0,0|3,0,0]=4 266 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,0,0,0,0|3,0,0]=4 267 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,0,0,0,0|3,0,0]=4 268 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,0,0,0,0|3,0,0]=4 276 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,0,0,0,0|2,0,1]=4 307 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,0,0,0,0|2,0,0]=3 308 B13R1.133 CC(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_200000210301 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,1,0,0,0,0|2,0,1]=4 311 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,1,0,0,0,0|1,0,2]=4 312 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,1,0,0,0,0|1,0,2]=4 313 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,0|1,0,2]=4 314 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,1,0,0,0,0|1,0,2]=4 333 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210206 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000210198_100000189115 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000210198_100000694040 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210206 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)F 1458a_100000210198_100000198546 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210206 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)I 1458a_100000210198_100000189116 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210206 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210206 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)Br 1458a_100000062450_100000189115 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)Cl 1458a_100000062450_100000694040 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)F 1458a_100000062450_100000198546 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)I 1458a_100000062450_100000189116 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 11a_100102631434_100000198978 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 240690a_100102631434_100000198978 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 527a_100102631434_100000198978 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 11a_100102631434_100000211027 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 240690a_100102631434_100000211027 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 527a_100102631434_100000211027 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 11a_100102631434_100000210951 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 1626a_100102631434_100000210951 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 240690a_100102631434_100000210951 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 527a_100102631434_100000210951 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 11a_100102631434_100000688869 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 1626a_100102631434_100000688869 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 240690a_100102631434_100000688869 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 527a_100102631434_100000688869 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 1626a_100102631434_100000198540 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 240690a_100102631434_100000198540 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 271570a_203496583355_100000159674 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 527a_100102631434_100000198540 [0,1,0,0,0,0|3,0,0]=4 366 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Br 1458a_100000717761_100000189115 [0,1,0,0,0,0|1,0,1]=3 367 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [0,1,0,0,0,0|1,0,1]=3 368 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)F 1458a_100000717761_100000198546 [0,1,0,0,0,0|1,0,1]=3 369 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)I 1458a_100000717761_100000189116 [0,1,0,0,0,0|1,0,1]=3 370 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)Br 1458a_100000717761_100000702658 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)Cl 1458a_100000717761_100012066911 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)F 1458a_100000717761_100000703193 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)Br 1458a_100000717761_100009831999 [0,1,0,0,0,0|2,0,1]=4 374 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)Cl 1458a_100000717761_100000735431 [0,1,0,0,0,0|2,0,1]=4 375 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)F 1458a_100000717761_100009820150 [0,1,0,0,0,0|2,0,1]=4 376 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000717761 [0,1,0,0,0,0|2,0,1]=4 377 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000717761 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000717761 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000717761 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Br 1458a_217856618621_100000189115 [0,1,0,0,0,0|1,0,1]=3 382 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [0,1,0,0,0,0|1,0,1]=3 383 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)F 1458a_217856618621_100000198546 [0,1,0,0,0,0|1,0,1]=3 384 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)I 1458a_217856618621_100000189116 [0,1,0,0,0,0|1,0,1]=3 385 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)Br 1458a_217856618621_100000702658 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)Cl 1458a_217856618621_100012066911 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)F 1458a_217856618621_100000703193 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)Br 1458a_217856618621_100009831999 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)Cl 1458a_217856618621_100000735431 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)F 1458a_217856618621_100009820150 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_217856618621 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_217856618621 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_217856618621 [0,1,0,0,0,0|2,0,1]=4 396 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_217856618621 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_217856618621 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_217856618621 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_217856618621 [0,1,0,0,0,0|2,0,1]=4 400 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)C 1458a_100000210198_100000210814 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)C 1458a_100000212244_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)F 1458a_100000062450_100000210814 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.133 Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000210814 [0,1,0,0,0,0|0,0,2]=3 404 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 11a_100102631434_100000212244 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 240690a_100102631434_100000212244 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 527a_100102631434_100000212244 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.133 Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000210814 [0,1,0,0,0,0|1,0,1]=3 408 B13R1.133 Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000210814 [0,1,0,0,0,0|1,0,1]=3 409 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,0,0,0,0|2,0,0]=3 410 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,0,0,0,0|2,0,0]=3 411 B13R1.133 Cc1ccc(cc1)NC(=O)C(O)O 22a_100000124888_100000233687 [0,1,0,0,0,0|1,0,2]=4 412 B13R1.133 Cc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000124888_100000717761 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000124888_217856618621 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000124888_217856618621 [0,1,0,0,0,0|2,0,1]=4 415 B13R1.133 Cc1ccc(cn1)CC(=O)C(O)O 1458a_100000233687_100016987292 [0,1,0,0,0,0|1,0,2]=4 416 B13R1.133 Cc1ccc(cn1)CC(=O)[C@@H](C)O 1458a_100000717761_100016987292 [0,1,0,0,0,0|2,0,1]=4 417 B13R1.133 Cc1ccc(cn1)CC(=O)[C@H](C)O 1458a_217856618621_100016987292 [0,1,0,0,0,0|2,0,1]=4 418 B13R1.133 Cc1ccc(nc1)CC(=O)C(O)O 1458a_100000233687_100000691093 [0,1,0,0,0,0|1,0,2]=4 419 B13R1.133 Cc1ccc(nc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000691093 [0,1,0,0,0,0|2,0,1]=4 420 B13R1.133 Cc1ccc(nc1)CC(=O)[C@H](C)O 1458a_217856618621_100000691093 [0,1,0,0,0,0|2,0,1]=4 421 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,1,0,0,0,0|2,0,0]=3 422 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,1,0,0,0,0|2,0,0]=3 423 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,1,0,0,0,0|2,0,0]=3 424 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,1,0,0,0,0|2,0,0]=3 425 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,0,0,0,0|2,0,0]=3 426 B13R1.133 O=C(Cc1ccc(cc1)Br)C(O)O 1458a_100000233687_100000189115 [0,1,0,0,0,0|0,0,2]=3 427 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [0,1,0,0,0,0|0,0,2]=3 428 B13R1.133 O=C(Cc1ccc(cc1)F)C(O)O 1458a_100000233687_100000198546 [0,1,0,0,0,0|0,0,2]=3 429 B13R1.133 O=C(Cc1ccc(cc1)I)C(O)O 1458a_100000233687_100000189116 [0,1,0,0,0,0|0,0,2]=3 430 B13R1.133 O=C(Cc1ccc(cn1)Br)C(O)O 1458a_100000233687_100000702658 [0,1,0,0,0,0|1,0,2]=4 431 B13R1.133 O=C(Cc1ccc(cn1)Cl)C(O)O 1458a_100000233687_100012066911 [0,1,0,0,0,0|1,0,2]=4 432 B13R1.133 O=C(Cc1ccc(cn1)F)C(O)O 1458a_100000233687_100000703193 [0,1,0,0,0,0|1,0,2]=4 433 B13R1.133 O=C(Cc1ccc(nc1)Br)C(O)O 1458a_100000233687_100009831999 [0,1,0,0,0,0|1,0,2]=4 434 B13R1.133 O=C(Cc1ccc(nc1)Cl)C(O)O 1458a_100000233687_100000735431 [0,1,0,0,0,0|1,0,2]=4 435 B13R1.133 O=C(Cc1ccc(nc1)F)C(O)O 1458a_100000233687_100009820150 [0,1,0,0,0,0|1,0,2]=4 436 B13R1.133 O=C(Nc1ccc(cc1)Br)C(O)O 22a_100000210018_100000233687 [0,1,0,0,0,0|1,0,2]=4 437 B13R1.133 O=C(Nc1ccc(cc1)Cl)C(O)O 22a_100000210052_100000233687 [0,1,0,0,0,0|1,0,2]=4 438 B13R1.133 O=C(Nc1ccc(cc1)F)C(O)O 22a_100000185862_100000233687 [0,1,0,0,0,0|1,0,2]=4 439 B13R1.133 O=C(Nc1ccc(cc1)I)C(O)O 22a_100000185761_100000233687 [0,1,0,0,0,0|1,0,2]=4 440 B13R1.133 O=C(Nc1ccc(cc1)O)C(O)O 22a_100000185829_100000233687 [0,1,0,0,0,0|1,0,2]=4 441 B13R1.133 [13CH3]C(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,1,0,0,0,0|1,0,2]=4 443 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,1,0,0,0,0|1,0,2]=4 444 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,0|1,0,2]=4 445 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,1,0,0,0,0|1,0,2]=4 446 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,0,0,0,0|2,0,1]=4 448 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,0|2,0,0]=3 449 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccn1 1458a_100020587367_100000721315 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.135 C/C=C(\C)/C(=O)Cc1cccnc1 1458a_100020587367_100000733263 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.135 C/C=C(\C)/C(=O)Cc1ccncc1 1458a_100020587367_100000705612 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,0,0,0,0|2,0,0]=3 456 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,0,0,0,0|2,0,0]=3 457 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,0,0,0,0|2,0,0]=3 458 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000185746 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 240690a_100000186898_200121576911 [0,1,0,0,0,0|3,0,0]=4 461 B13R1.135 C=CC(C)C(=O)Cc1ccccc1 1458a_100011216780_100015291786 [0,1,0,0,0,0|2,0,1]=4 462 B13R1.135 CC(C#N)C(=O)Cc1ccccc1 1458a_100000753662_100015291786 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,0|1,0,1]=3 465 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,0,0,0,0|2,0,1]=4 466 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,0,0,0,0|2,0,0]=3 469 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,0|2,0,1]=4 470 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,0|2,0,1]=4 471 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,0|1,0,2]=4 476 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,1,0,0,0,0|1,0,1]=3 478 B13R1.135 CCC(O)C(=O)Cc1ccccn1 1458a_100011196387_100000721315 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.135 CCC(O)C(=O)Cc1cccnc1 1458a_100011196387_100000733263 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.135 CCC(O)C(=O)Cc1ccncc1 1458a_100011196387_100000705612 [0,1,0,0,0,0|2,0,1]=4 481 B13R1.135 CCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011196387 [0,1,0,0,0,0|2,0,1]=4 482 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,1,0,0,0,0|2,0,0]=3 483 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,1,0,0,0,0|2,0,0]=3 484 B13R1.135 CN(Cc1ccccn1)C(=O)CO 240690a_100000207498_100000210174 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.135 CN(Cc1ccccn1)C(=O)CO 527a_100000207498_100000210174 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.135 CN(Cc1cccnc1)C(=O)CO 240690a_100000184577_100000210174 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.135 CN(Cc1cccnc1)C(=O)CO 527a_100000184577_100000210174 [0,1,0,0,0,0|3,0,0]=4 488 B13R1.135 CN(Cc1ccncc1)C(=O)CO 240690a_100000187231_100000210174 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.135 CN(Cc1ccncc1)C(=O)CO 527a_100000187231_100000210174 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,0,0,0,0|2,0,1]=4 493 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,0,0,0,0|2,0,1]=4 494 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,0,0,0,0|2,0,1]=4 495 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,0,0,0,0|2,0,1]=4 496 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,0|1,0,0]=2 500 B13R1.135 CNC(=O)C(=O)Cc1ccccn1 1458a_100011218921_100000721315 [0,1,0,0,0,0|2,0,0]=3 501 B13R1.135 CNC(=O)C(=O)Cc1cccnc1 1458a_100011218921_100000733263 [0,1,0,0,0,0|2,0,0]=3 502 B13R1.135 CNC(=O)C(=O)Cc1cccnn1 1458a_100011218921_100016990269 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.135 CNC(=O)C(=O)Cc1ccncc1 1458a_100011218921_100000705612 [0,1,0,0,0,0|2,0,0]=3 504 B13R1.135 CNC(=O)C(=O)Cc1cnccn1 1458a_100011218921_100016995436 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.135 CNC(=O)C(=O)Cc1cncnc1 1458a_100011218921_100015196519 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.135 CNC(=O)C(=O)Cc1ncccn1 1458a_100011218921_100000703007 [0,1,0,0,0,0|3,0,0]=4 507 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,0,0,0,0|2,0,0]=3 509 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,0,0,0,0|2,0,0]=3 510 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,0,0,0,0|2,0,0]=3 511 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,0|2,0,1]=4 512 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,0|2,0,1]=4 513 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,0|2,0,1]=4 514 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,0|1,0,2]=4 518 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,0|1,0,0]=2 519 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,0|1,0,0]=2 520 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,0|1,0,0]=2 521 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,0|2,0,1]=4 523 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,0|2,0,1]=4 524 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,0|1,0,1]=3 527 B13R1.135 COC(C)C(=O)Cc1ccccn1 1458a_100000743197_100000721315 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.135 COC(C)C(=O)Cc1cccnc1 1458a_100000743197_100000733263 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.135 COC(C)C(=O)Cc1ccncc1 1458a_100000743197_100000705612 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.135 CSC(C)C(=O)Cc1ccccc1 1458a_100000149566_100015291786 [0,1,0,0,0,0|1,1,1]=4 536 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,0,0,0,0|2,0,1]=4 537 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,0,0,0,0|2,0,1]=4 538 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,0,0,0,0|2,0,0]=3 539 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,1,0,0,0,0|1,0,2]=4 540 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,1,0,0,0,0|0,0,2]=3 541 B13R1.135 O=C(Cc1ccccn1)C(O)CO 1458a_100011215603_100000721315 [0,1,0,0,0,0|1,0,2]=4 542 B13R1.135 O=C(Cc1cccnc1)C(O)CO 1458a_100011215603_100000733263 [0,1,0,0,0,0|1,0,2]=4 543 B13R1.135 O=C(Cc1ccncc1)C(O)CO 1458a_100011215603_100000705612 [0,1,0,0,0,0|1,0,2]=4 544 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,1,0,0,0,0|1,0,2]=4 545 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 11a_100000210019_100009813364 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100009813364 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 11a_100000188690_100009813364 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 1626a_100000188690_100009813364 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100009813364 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100009813364 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 11a_100000210047_100009813364 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 1626a_100000210047_100009813364 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 11a_100000211102_100009813364 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1626a_100000211102_100009813364 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,0,0,0,0|3,0,0]=4 556 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)Br 1458a_100000185857_100010173614 [0,1,0,0,0,0|3,0,0]=4 557 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)C 1458a_100000185857_100000718516 [0,1,0,0,0,0|3,0,0]=4 558 B13R1.148 C=C(C)C(=O)Cc1cc(ccn1)Cl 1458a_100000185857_100016988179 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Br 1458a_100000185857_100000211773 [0,1,0,0,0,0|2,0,0]=3 560 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,1,0,0,0,0|2,0,0]=3 561 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Cl 1458a_100000185857_100000181238 [0,1,0,0,0,0|2,0,0]=3 562 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)F 1458a_100000185857_100000230114 [0,1,0,0,0,0|2,0,0]=3 563 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)I 1458a_100000185857_100011218688 [0,1,0,0,0,0|2,0,0]=3 564 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,1,0,0,0,0|2,0,0]=3 565 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)Br 1458a_100000185857_100009889011 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)C 1458a_100000185857_100000757606 [0,1,0,0,0,0|3,0,0]=4 567 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)Cl 1458a_100000185857_100000086093 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.148 C=C(C)C(=O)Cc1cccc(n1)F 1458a_100000185857_100009819644 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)Br 1458a_100000185857_100010243470 [0,1,0,0,0,0|3,0,0]=4 570 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)C 1458a_100000185857_200020672517 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)Cl 1458a_100000185857_100000764220 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)Br 1458a_100000185857_100011740620 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)C 1458a_100000185857_100000716715 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)Cl 1458a_100000185857_100016992070 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)F 1458a_100000185857_100000725299 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000039160 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000039160 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000039160 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 11a_100000188690_100000039160 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000039160 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 22a_100000188690_100000039160 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000039160 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000039160 [0,1,0,0,0,0|3,0,0]=4 601 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000039160 [0,1,0,0,0,0|3,0,0]=4 602 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 11a_100000210047_100000039160 [0,1,0,0,0,0|3,0,0]=4 603 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000039160 [0,1,0,0,0,0|3,0,0]=4 604 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 22a_100000210047_100000039160 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 11a_100000211102_100000039160 [0,1,0,0,0,0|3,0,0]=4 606 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000039160 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 22a_100000211102_100000039160 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000036797 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000036797 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000036797 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 11a_100000188690_100000036797 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000036797 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 22a_100000188690_100000036797 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000036797 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000036797 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000036797 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000036797 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000036797 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000036797 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000036797 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000036797 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000036797 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,1,0,0,0,0|2,0,0]=3 628 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,1,0,0,0,0|2,0,0]=3 629 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,1,0,0,0,0|1,0,2]=4 630 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 11a_100000187585_100015343762 [0,1,0,0,0,0|3,0,0]=4 631 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100015343762 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 240690a_100000187585_100015343762 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100103153847 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 11a_100020629429_100015343762 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100015343762 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 240690a_100020629429_100015343762 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100103153847 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100015343762 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100103153847 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,1,0,0,0,0|1,0,2]=4 649 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Br 1458a_100000210198_100000211773 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210206 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000210198_100000181238 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210206 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.148 CC(C)C(=O)Cc1cccc(c1)F 1458a_100000210198_100000230114 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.148 CC(C)C(=O)Cc1cccc(c1)F 1458a_100000211661_100000210206 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.148 CC(C)C(=O)Cc1cccc(c1)I 1458a_100000210198_100011218688 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.148 CC(C)C(=O)Cc1cccc(c1)I 1458a_100000238430_100000210206 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.148 CC(C)C(=O)Cc1cccc(c1)O 1458a_100000210198_100011660834 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.148 CC(C)C(=O)Cc1cccc(c1)O 1458a_100000745134_100000210206 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.148 CC(F)C(=O)Cc1cccc(c1)Br 1458a_100000062450_100000211773 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.148 CC(F)C(=O)Cc1cccc(c1)Cl 1458a_100000062450_100000181238 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.148 CC(F)C(=O)Cc1cccc(c1)F 1458a_100000062450_100000230114 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.148 CC(F)C(=O)Cc1cccc(c1)I 1458a_100000062450_100011218688 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.148 CC(F)C(=O)Cc1cccc(c1)O 1458a_100000062450_100011660834 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 11a_100102631434_100000747190 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 240690a_100102631434_100000747190 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 527a_100102631434_100000747190 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 11a_100102631434_100000749307 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 1626a_100102631434_100000749307 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 240690a_100102631434_100000749307 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 527a_100102631434_100000749307 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 11a_100102631434_100000211661 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 1626a_100102631434_100000211661 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 240690a_100102631434_100000211661 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 527a_100102631434_100000211661 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 11a_100102631434_100000238430 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 1626a_100102631434_100000238430 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 240690a_100102631434_100000238430 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 527a_100102631434_100000238430 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.148 CN(C)C(=O)Cc1cccc(c1)O 240690a_100102631434_100000745134 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.148 CN(C)C(=O)Cc1cccc(c1)O 527a_100102631434_100000745134 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.148 C[C@@H](O)C(=O)Cc1cc(ccn1)Br 1458a_100000717761_100010173614 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.148 C[C@@H](O)C(=O)Cc1cc(ccn1)Cl 1458a_100000717761_100016988179 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Br 1458a_100000717761_100000211773 [0,1,0,0,0,0|1,0,1]=3 684 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Cl 1458a_100000717761_100000181238 [0,1,0,0,0,0|1,0,1]=3 685 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)F 1458a_100000717761_100000230114 [0,1,0,0,0,0|1,0,1]=3 686 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)I 1458a_100000717761_100011218688 [0,1,0,0,0,0|1,0,1]=3 687 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)O 1458a_100000717761_100011660834 [0,1,0,0,0,0|1,0,1]=3 688 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)Br 1458a_100000717761_100009889011 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)Cl 1458a_100000717761_100000086093 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)F 1458a_100000717761_100009819644 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.148 C[C@@H](O)C(=O)Cc1ccnc(c1)Br 1458a_100000717761_100010243470 [0,1,0,0,0,0|2,0,1]=4 692 B13R1.148 C[C@@H](O)C(=O)Cc1ccnc(c1)Cl 1458a_100000717761_100000764220 [0,1,0,0,0,0|2,0,1]=4 693 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)Br 1458a_100000717761_100011740620 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)Cl 1458a_100000717761_100016992070 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)F 1458a_100000717761_100000725299 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000717761 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000717761 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_100000717761 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_100000717761 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_100000717761 [0,1,0,0,0,0|2,0,1]=4 701 B13R1.148 C[C@H](O)C(=O)Cc1cc(ccn1)Br 1458a_217856618621_100010173614 [0,1,0,0,0,0|2,0,1]=4 702 B13R1.148 C[C@H](O)C(=O)Cc1cc(ccn1)Cl 1458a_217856618621_100016988179 [0,1,0,0,0,0|2,0,1]=4 703 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Br 1458a_217856618621_100000211773 [0,1,0,0,0,0|1,0,1]=3 704 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Cl 1458a_217856618621_100000181238 [0,1,0,0,0,0|1,0,1]=3 705 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)F 1458a_217856618621_100000230114 [0,1,0,0,0,0|1,0,1]=3 706 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)I 1458a_217856618621_100011218688 [0,1,0,0,0,0|1,0,1]=3 707 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)O 1458a_217856618621_100011660834 [0,1,0,0,0,0|1,0,1]=3 708 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)Br 1458a_217856618621_100009889011 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)Cl 1458a_217856618621_100000086093 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)F 1458a_217856618621_100009819644 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.148 C[C@H](O)C(=O)Cc1ccnc(c1)Br 1458a_217856618621_100010243470 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.148 C[C@H](O)C(=O)Cc1ccnc(c1)Cl 1458a_217856618621_100000764220 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)Br 1458a_217856618621_100011740620 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)Cl 1458a_217856618621_100016992070 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)F 1458a_217856618621_100000725299 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_217856618621 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_217856618621 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_217856618621 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_217856618621 [0,1,0,0,0,0|2,0,1]=4 720 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 1626a_100000210047_217856618621 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_217856618621 [0,1,0,0,0,0|2,0,1]=4 722 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 1626a_100000211102_217856618621 [0,1,0,0,0,0|2,0,1]=4 723 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_217856618621 [0,1,0,0,0,0|2,0,1]=4 724 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 1626a_100000210217_217856618621 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_217856618621 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.148 Cc1cc(ccn1)CC(=O)C(O)O 1458a_100000233687_200020672517 [0,1,0,0,0,0|1,0,2]=4 727 B13R1.148 Cc1cc(ccn1)CC(=O)[C@@H](C)O 1458a_100000717761_200020672517 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.148 Cc1cc(ccn1)CC(=O)[C@H](C)O 1458a_217856618621_200020672517 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100000210198_100000211840 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100011206899_100000210206 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.148 Cc1cccc(c1)CC(=O)C(C)F 1458a_100000062450_100000211840 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.148 Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211840 [0,1,0,0,0,0|0,0,2]=3 733 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 11a_100102631434_100011206899 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 1626a_100102631434_100011206899 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 240690a_100102631434_100011206899 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 527a_100102631434_100011206899 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.148 Cc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211840 [0,1,0,0,0,0|1,0,1]=3 738 B13R1.148 Cc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211840 [0,1,0,0,0,0|1,0,1]=3 739 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,0,0,0,0|2,0,0]=3 740 B13R1.148 Cc1cccc(c1)NC(=O)C(O)O 22a_100000188690_100000233687 [0,1,0,0,0,0|1,0,2]=4 741 B13R1.148 Cc1cccc(c1)NC(=O)[C@@H](C)O 22a_100000188690_100000717761 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 1626a_100000188690_217856618621 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 22a_100000188690_217856618621 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.148 Cc1cccc(n1)CC(=O)C(O)O 1458a_100000233687_100000757606 [0,1,0,0,0,0|1,0,2]=4 745 B13R1.148 Cc1cccc(n1)CC(=O)[C@@H](C)O 1458a_100000717761_100000757606 [0,1,0,0,0,0|2,0,1]=4 746 B13R1.148 Cc1cccc(n1)CC(=O)[C@H](C)O 1458a_217856618621_100000757606 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.148 Cc1ccnc(c1)CC(=O)C(O)O 1458a_100000233687_100000718516 [0,1,0,0,0,0|1,0,2]=4 748 B13R1.148 Cc1ccnc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000718516 [0,1,0,0,0,0|2,0,1]=4 749 B13R1.148 Cc1ccnc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000718516 [0,1,0,0,0,0|2,0,1]=4 750 B13R1.148 Cc1cncc(c1)CC(=O)C(O)O 1458a_100000233687_100000716715 [0,1,0,0,0,0|1,0,2]=4 751 B13R1.148 Cc1cncc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000716715 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.148 Cc1cncc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000716715 [0,1,0,0,0,0|2,0,1]=4 753 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,1,0,0,0,0|2,0,0]=3 754 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,1,0,0,0,0|2,0,0]=3 755 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,1,0,0,0,0|2,0,0]=3 757 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,1,0,0,0,0|2,0,0]=3 758 B13R1.148 O=C(Cc1cc(ccn1)Br)C(O)O 1458a_100000233687_100010173614 [0,1,0,0,0,0|1,0,2]=4 759 B13R1.148 O=C(Cc1cc(ccn1)Cl)C(O)O 1458a_100000233687_100016988179 [0,1,0,0,0,0|1,0,2]=4 760 B13R1.148 O=C(Cc1cccc(c1)Br)C(O)O 1458a_100000233687_100000211773 [0,1,0,0,0,0|0,0,2]=3 761 B13R1.148 O=C(Cc1cccc(c1)Cl)C(O)O 1458a_100000233687_100000181238 [0,1,0,0,0,0|0,0,2]=3 762 B13R1.148 O=C(Cc1cccc(c1)F)C(O)O 1458a_100000233687_100000230114 [0,1,0,0,0,0|0,0,2]=3 763 B13R1.148 O=C(Cc1cccc(c1)I)C(O)O 1458a_100000233687_100011218688 [0,1,0,0,0,0|0,0,2]=3 764 B13R1.148 O=C(Cc1cccc(c1)O)C(O)O 1458a_100000233687_100011660834 [0,1,0,0,0,0|0,0,2]=3 765 B13R1.148 O=C(Cc1cccc(n1)Br)C(O)O 1458a_100000233687_100009889011 [0,1,0,0,0,0|1,0,2]=4 766 B13R1.148 O=C(Cc1cccc(n1)Cl)C(O)O 1458a_100000233687_100000086093 [0,1,0,0,0,0|1,0,2]=4 767 B13R1.148 O=C(Cc1cccc(n1)F)C(O)O 1458a_100000233687_100009819644 [0,1,0,0,0,0|1,0,2]=4 768 B13R1.148 O=C(Cc1ccnc(c1)Br)C(O)O 1458a_100000233687_100010243470 [0,1,0,0,0,0|1,0,2]=4 769 B13R1.148 O=C(Cc1ccnc(c1)Cl)C(O)O 1458a_100000233687_100000764220 [0,1,0,0,0,0|1,0,2]=4 770 B13R1.148 O=C(Cc1cncc(c1)Br)C(O)O 1458a_100000233687_100011740620 [0,1,0,0,0,0|1,0,2]=4 771 B13R1.148 O=C(Cc1cncc(c1)Cl)C(O)O 1458a_100000233687_100016992070 [0,1,0,0,0,0|1,0,2]=4 772 B13R1.148 O=C(Cc1cncc(c1)F)C(O)O 1458a_100000233687_100000725299 [0,1,0,0,0,0|1,0,2]=4 773 B13R1.148 O=C(Nc1cccc(c1)Br)C(O)O 22a_100000210019_100000233687 [0,1,0,0,0,0|1,0,2]=4 774 B13R1.148 O=C(Nc1cccc(c1)Cl)C(O)O 22a_100000185859_100000233687 [0,1,0,0,0,0|1,0,2]=4 775 B13R1.148 O=C(Nc1cccc(c1)F)C(O)O 22a_100000210047_100000233687 [0,1,0,0,0,0|1,0,2]=4 776 B13R1.148 O=C(Nc1cccc(c1)I)C(O)O 22a_100000211102_100000233687 [0,1,0,0,0,0|1,0,2]=4 777 B13R1.148 O=C(Nc1cccc(c1)O)C(O)O 22a_100000210217_100000233687 [0,1,0,0,0,0|1,0,2]=4 778 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,1,0,0,0,0|2,0,0]=3 779 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,1,0,0,0,0|2,0,0]=3 780 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,1,0,0,0,0|1,0,2]=4 781 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,1,0,0,0,0|1,0,2]=4 782 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,0,0,0,0|3,0,0]=4 783 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,0,0,0,0|3,0,0]=4 784 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,0,0,0,0|3,0,0]=4 787 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,0,0,0,0|3,0,0]=4 791 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,0,0,0,0|3,0,0]=4 794 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,0,0,0,0|2,0,0]=3 795 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 796 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 797 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.152 CC(C(=O)C(O)O)c1ccccc1 1458a_100000233687_100000230085 [0,1,0,0,0,0|0,0,2]=3 800 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,0,0,0,0|2,0,1]=4 801 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,0,0,0,0|2,0,1]=4 802 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,1,0,0,0,0|1,0,1]=3 803 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,1,0,0,0,0|1,0,1]=3 804 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,1,0,0,0,0|2,0,1]=4 805 B13R1.152 CC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000210206 [0,1,0,0,0,0|2,0,1]=4 806 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,1,0,0,0,0|2,0,1]=4 807 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,1,0,0,0,0|2,0,1]=4 808 B13R1.152 CC(F)C(=O)C(C)c1ccccc1 1458a_100000062450_100000230085 [0,1,0,0,0,0|2,0,1]=4 809 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.152 CN(C(=O)C(O)O)c1ccccc1 22a_100000210012_100000233687 [0,1,0,0,0,0|1,0,2]=4 812 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 11a_100102631434_100000698975 [0,1,0,0,0,0|3,0,0]=4 813 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 1626a_100102631434_100000698975 [0,1,0,0,0,0|3,0,0]=4 814 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 240690a_100102631434_100000698975 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 527a_100102631434_100000698975 [0,1,0,0,0,0|3,0,0]=4 816 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,1,0,0,0,0|2,0,1]=4 818 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 821 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 822 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,1,0,0,0,0|2,0,1]=4 824 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 11a_100000210017_100009813364 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 1626a_100000210017_100009813364 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 11a_100000185783_100009813364 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 1626a_100000185783_100009813364 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 11a_100000210053_100009813364 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1626a_100000210053_100009813364 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.202 C=C(C)C(=O)Cc1ccccc1Br 1458a_100000185857_100000184730 [0,1,0,0,0,0|2,0,0]=3 835 B13R1.202 C=C(C)C(=O)Cc1ccccc1C 1458a_100000185857_100000211839 [0,1,0,0,0,0|2,0,0]=3 836 B13R1.202 C=C(C)C(=O)Cc1ccccc1Cl 1458a_100000185857_100000187162 [0,1,0,0,0,0|2,0,0]=3 837 B13R1.202 C=C(C)C(=O)Cc1ccccc1F 1458a_100000185857_100000187165 [0,1,0,0,0,0|2,0,0]=3 838 B13R1.202 C=C(C)C(=O)Cc1ccccc1I 1458a_100000185857_100011216222 [0,1,0,0,0,0|2,0,0]=3 839 B13R1.202 C=C(C)C(=O)Cc1cccnc1Br 1458a_100000185857_100010140945 [0,1,0,0,0,0|3,0,0]=4 840 B13R1.202 C=C(C)C(=O)Cc1cccnc1C 1458a_100000185857_100000732876 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.202 C=C(C)C(=O)Cc1cccnc1Cl 1458a_100000185857_100000045678 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.202 C=C(C)C(=O)Cc1cccnc1F 1458a_100000185857_100000099810 [0,1,0,0,0,0|3,0,0]=4 843 B13R1.202 C=C(C)C(=O)Cc1ccncc1C 1458a_100000185857_100020672808 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.202 C=C(C)C(=O)Cc1ccncc1Cl 1458a_100000185857_100000763264 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.202 C=C(C)C(=O)Cc1cnccc1C 1458a_100000185857_100000690890 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.202 C=C(C)C(=O)Cc1ncccc1Br 1458a_100000185857_100025702911 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.202 C=C(C)C(=O)Cc1ncccc1C 1458a_100000185857_100000696600 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.202 C=C(C)C(=O)Cc1ncccc1Cl 1458a_100000185857_100000099807 [0,1,0,0,0,0|3,0,0]=4 849 B13R1.202 C=C(C)C(=O)Cc1ncccc1F 1458a_100000185857_100000104219 [0,1,0,0,0,0|3,0,0]=4 850 B13R1.202 C=C(C)C(=O)Cc1ncccc1O 1458a_100000185857_200020655725 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,0,0,0,0|3,0,0]=4 854 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,0,0,0,0|3,0,0]=4 860 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,0,0,0,0|3,0,0]=4 861 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,0,0,0,0|3,0,0]=4 862 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 11a_100000210017_100000039160 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 1626a_100000210017_100000039160 [0,1,0,0,0,0|3,0,0]=4 867 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,0,0,0,0|3,0,0]=4 868 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,0,0,0,0|3,0,0]=4 869 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 11a_100000185783_100000039160 [0,1,0,0,0,0|3,0,0]=4 871 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000039160 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 22a_100000185783_100000039160 [0,1,0,0,0,0|3,0,0]=4 873 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,0,0,0,0|3,0,0]=4 875 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 11a_100000210053_100000039160 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 1626a_100000210053_100000039160 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000036797 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000036797 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000036797 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000036797 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000036797 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,0,0,0,0|3,0,0]=4 890 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 11a_100000210053_100000036797 [0,1,0,0,0,0|3,0,0]=4 891 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000036797 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,0,0,0,0|2,0,1]=4 894 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,0,0,0,0|2,0,1]=4 895 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,0,0,0,0|2,0,0]=3 897 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,1,0,0,0,0|1,0,2]=4 898 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,1,0,0,0,0|1,0,2]=4 899 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 11a_100000184654_100015343762 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100015343762 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 240690a_100000184654_100015343762 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100103153847 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.202 CC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100015343762 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.202 CC(=O)N(C)Cc1ccccc1C 240690a_100000184421_100015343762 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.202 CC(=O)N(C)Cc1ccccc1C 527a_100000184421_100103153847 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,1,0,0,0,0|3,0,0]=4 908 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,1,0,0,0,0|3,0,0]=4 909 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,1,0,0,0,0|3,0,0]=4 910 B13R1.202 CC(=O)N(C)Cc1ccccc1F 11a_100000742528_100015343762 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.202 CC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100015343762 [0,1,0,0,0,0|3,0,0]=4 912 B13R1.202 CC(=O)N(C)Cc1ccccc1F 240690a_100000742528_100015343762 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.202 CC(=O)N(C)Cc1ccccc1F 527a_100000742528_100103153847 [0,1,0,0,0,0|3,0,0]=4 914 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,1,0,0,0,0|3,0,0]=4 915 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,1,0,0,0,0|3,0,0]=4 916 B13R1.202 CC(C)C(=O)Cc1ccccc1Br 1458a_100000210198_100000184730 [0,1,0,0,0,0|2,0,1]=4 917 B13R1.202 CC(C)C(=O)Cc1ccccc1Br 1458a_100000751119_100000210206 [0,1,0,0,0,0|2,0,1]=4 918 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000183793_100000210206 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000210198_100000187162 [0,1,0,0,0,0|2,0,1]=4 920 B13R1.202 CC(C)C(=O)Cc1ccccc1F 1458a_100000210198_100000187165 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.202 CC(C)C(=O)Cc1ccccc1F 1458a_100000212012_100000210206 [0,1,0,0,0,0|2,0,1]=4 922 B13R1.202 CC(C)C(=O)Cc1ccccc1I 1458a_100000036491_100000210206 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.202 CC(C)C(=O)Cc1ccccc1I 1458a_100000210198_100011216222 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.202 CC(C)C(=O)Cc1ccccc1O 1458a_100000743006_100000210206 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.202 CC(F)C(=O)Cc1ccccc1Br 1458a_100000062450_100000184730 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.202 CC(F)C(=O)Cc1ccccc1Cl 1458a_100000062450_100000187162 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.202 CC(F)C(=O)Cc1ccccc1F 1458a_100000062450_100000187165 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.202 CC(F)C(=O)Cc1ccccc1I 1458a_100000062450_100011216222 [0,1,0,0,0,0|2,0,1]=4 929 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 11a_100102631434_100000751119 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 240690a_100102631434_100000751119 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 527a_100102631434_100000751119 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 11a_100102631434_100000183793 [0,1,0,0,0,0|3,0,0]=4 933 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 1626a_100102631434_100000183793 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 240690a_100102631434_100000183793 [0,1,0,0,0,0|3,0,0]=4 935 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 527a_100102631434_100000183793 [0,1,0,0,0,0|3,0,0]=4 936 B13R1.202 CN(C)C(=O)Cc1ccccc1F 11a_100102631434_100000212012 [0,1,0,0,0,0|3,0,0]=4 937 B13R1.202 CN(C)C(=O)Cc1ccccc1F 1626a_100102631434_100000212012 [0,1,0,0,0,0|3,0,0]=4 938 B13R1.202 CN(C)C(=O)Cc1ccccc1F 240690a_100102631434_100000212012 [0,1,0,0,0,0|3,0,0]=4 939 B13R1.202 CN(C)C(=O)Cc1ccccc1F 527a_100102631434_100000212012 [0,1,0,0,0,0|3,0,0]=4 940 B13R1.202 CN(C)C(=O)Cc1ccccc1I 11a_100102631434_100000036491 [0,1,0,0,0,0|3,0,0]=4 941 B13R1.202 CN(C)C(=O)Cc1ccccc1I 1626a_100102631434_100000036491 [0,1,0,0,0,0|3,0,0]=4 942 B13R1.202 CN(C)C(=O)Cc1ccccc1I 240690a_100102631434_100000036491 [0,1,0,0,0,0|3,0,0]=4 943 B13R1.202 CN(C)C(=O)Cc1ccccc1I 527a_100102631434_100000036491 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.202 CN(C)C(=O)Cc1ccccc1O 240690a_100102631434_100000743006 [0,1,0,0,0,0|3,0,0]=4 945 B13R1.202 CN(C)C(=O)Cc1ccccc1O 271570a_203496583355_200009816159 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.202 CN(C)C(=O)Cc1ccccc1O 527a_100102631434_100000743006 [0,1,0,0,0,0|3,0,0]=4 947 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Br 1458a_100000717761_100000184730 [0,1,0,0,0,0|1,0,1]=3 948 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,1,0,0,0,0|1,0,1]=3 949 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,1,0,0,0,0|1,0,1]=3 950 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1I 1458a_100000717761_100011216222 [0,1,0,0,0,0|1,0,1]=3 951 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1Br 1458a_100000717761_100010140945 [0,1,0,0,0,0|2,0,1]=4 952 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1Cl 1458a_100000717761_100000045678 [0,1,0,0,0,0|2,0,1]=4 953 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1F 1458a_100000717761_100000099810 [0,1,0,0,0,0|2,0,1]=4 954 B13R1.202 C[C@@H](O)C(=O)Cc1ccncc1Cl 1458a_100000717761_100000763264 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1Br 1458a_100000717761_100025702911 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1Cl 1458a_100000717761_100000099807 [0,1,0,0,0,0|2,0,1]=4 957 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1F 1458a_100000717761_100000104219 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1O 1458a_100000717761_200020655725 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,1,0,0,0,0|2,0,1]=4 960 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,1,0,0,0,0|2,0,1]=4 961 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Br 1458a_217856618621_100000184730 [0,1,0,0,0,0|1,0,1]=3 963 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,1,0,0,0,0|1,0,1]=3 964 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,1,0,0,0,0|1,0,1]=3 965 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1I 1458a_217856618621_100011216222 [0,1,0,0,0,0|1,0,1]=3 966 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1Br 1458a_217856618621_100010140945 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1Cl 1458a_217856618621_100000045678 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1F 1458a_217856618621_100000099810 [0,1,0,0,0,0|2,0,1]=4 969 B13R1.202 C[C@H](O)C(=O)Cc1ccncc1Cl 1458a_217856618621_100000763264 [0,1,0,0,0,0|2,0,1]=4 970 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1Br 1458a_217856618621_100025702911 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1Cl 1458a_217856618621_100000099807 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1F 1458a_217856618621_100000104219 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1O 1458a_217856618621_200020655725 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,0,0,0,0|2,0,1]=4 981 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000211839 [0,1,0,0,0,0|2,0,1]=4 982 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000212180_100000210206 [0,1,0,0,0,0|2,0,1]=4 983 B13R1.202 Cc1ccccc1CC(=O)C(C)F 1458a_100000062450_100000211839 [0,1,0,0,0,0|2,0,1]=4 984 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,1,0,0,0,0|0,0,2]=3 985 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,1,0,0,0,0|3,0,0]=4 986 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,1,0,0,0,0|3,0,0]=4 987 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,1,0,0,0,0|3,0,0]=4 988 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,1,0,0,0,0|3,0,0]=4 989 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,1,0,0,0,0|1,0,1]=3 990 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,1,0,0,0,0|1,0,1]=3 991 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,0,0,0,0|2,0,0]=3 992 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,0,0,0,0|2,0,0]=3 993 B13R1.202 Cc1ccccc1NC(=O)C(O)O 22a_100015192222_100000233687 [0,1,0,0,0,0|1,0,2]=4 994 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,1,0,0,0,0|2,0,1]=4 996 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,1,0,0,0,0|2,0,1]=4 997 B13R1.202 Cc1cccnc1CC(=O)C(O)O 1458a_100000233687_100000696600 [0,1,0,0,0,0|1,0,2]=4 998 B13R1.202 Cc1cccnc1CC(=O)[C@@H](C)O 1458a_100000717761_100000696600 [0,1,0,0,0,0|2,0,1]=4 999 B13R1.202 Cc1cccnc1CC(=O)[C@H](C)O 1458a_217856618621_100000696600 [0,1,0,0,0,0|2,0,1]=4 1000 B13R1.202 Cc1ccncc1CC(=O)C(O)O 1458a_100000233687_100000690890 [0,1,0,0,0,0|1,0,2]=4 1001 B13R1.202 Cc1ccncc1CC(=O)[C@@H](C)O 1458a_100000717761_100000690890 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.202 Cc1ccncc1CC(=O)[C@H](C)O 1458a_217856618621_100000690890 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.202 Cc1cnccc1CC(=O)C(O)O 1458a_100000233687_100020672808 [0,1,0,0,0,0|1,0,2]=4 1004 B13R1.202 Cc1cnccc1CC(=O)[C@@H](C)O 1458a_100000717761_100020672808 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.202 Cc1cnccc1CC(=O)[C@H](C)O 1458a_217856618621_100020672808 [0,1,0,0,0,0|2,0,1]=4 1006 B13R1.202 Cc1ncccc1CC(=O)C(O)O 1458a_100000233687_100000732876 [0,1,0,0,0,0|1,0,2]=4 1007 B13R1.202 Cc1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000732876 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.202 Cc1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100000732876 [0,1,0,0,0,0|2,0,1]=4 1009 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,0,0,0,0|2,0,0]=3 1010 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,0,0,0,0|2,0,0]=3 1011 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,0,0,0,0|2,0,0]=3 1012 B13R1.202 O=C(Cc1ccccc1Br)C(O)O 1458a_100000233687_100000184730 [0,1,0,0,0,0|0,0,2]=3 1013 B13R1.202 O=C(Cc1ccccc1Cl)C(O)O 1458a_100000233687_100000187162 [0,1,0,0,0,0|0,0,2]=3 1014 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,1,0,0,0,0|0,0,2]=3 1015 B13R1.202 O=C(Cc1ccccc1I)C(O)O 1458a_100000233687_100011216222 [0,1,0,0,0,0|0,0,2]=3 1016 B13R1.202 O=C(Cc1cccnc1Br)C(O)O 1458a_100000233687_100010140945 [0,1,0,0,0,0|1,0,2]=4 1017 B13R1.202 O=C(Cc1cccnc1Cl)C(O)O 1458a_100000233687_100000045678 [0,1,0,0,0,0|1,0,2]=4 1018 B13R1.202 O=C(Cc1cccnc1F)C(O)O 1458a_100000233687_100000099810 [0,1,0,0,0,0|1,0,2]=4 1019 B13R1.202 O=C(Cc1ccncc1Cl)C(O)O 1458a_100000233687_100000763264 [0,1,0,0,0,0|1,0,2]=4 1020 B13R1.202 O=C(Cc1ncccc1Br)C(O)O 1458a_100000233687_100025702911 [0,1,0,0,0,0|1,0,2]=4 1021 B13R1.202 O=C(Cc1ncccc1Cl)C(O)O 1458a_100000233687_100000099807 [0,1,0,0,0,0|1,0,2]=4 1022 B13R1.202 O=C(Cc1ncccc1F)C(O)O 1458a_100000233687_100000104219 [0,1,0,0,0,0|1,0,2]=4 1023 B13R1.202 O=C(Cc1ncccc1O)C(O)O 1458a_100000233687_200020655725 [0,1,0,0,0,0|1,0,2]=4 1024 B13R1.202 O=C(Nc1ccccc1Cl)C(O)O 22a_100000185783_100000233687 [0,1,0,0,0,0|1,0,2]=4 1025 B13R1.202 O=C(Nc1ccccc1F)C(O)O 22a_100000210422_100000233687 [0,1,0,0,0,0|1,0,2]=4 1026 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,0,0,0,0|1,0,2]=4 1027 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,0,0,0,0|2,0,0]=3 1028 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,1,0,0,0,0|1,0,2]=4 1029 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,1,0,0,0,0|1,0,2]=4 1030 B13R1.353 CC(C)(C)C(=O)Cc1ccccc1 1458a_106744555173_100015291786 [0,1,0,0,0,0|2,0,1]=4 1031 B13R1.353 CC(C)(F)C(=O)Cc1ccccc1 1458a_100000765255_100015291786 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.353 CC(C)(O)C(=O)Cc1ccccc1 1458a_100000242741_100015291786 [0,1,0,0,0,0|1,0,1]=3 1033 B13R1.353 CC(C)(O)C(=O)Cc1ccccn1 1458a_100000242741_100000721315 [0,1,0,0,0,0|2,0,1]=4 1034 B13R1.353 CC(C)(O)C(=O)Cc1cccnc1 1458a_100000242741_100000733263 [0,1,0,0,0,0|2,0,1]=4 1035 B13R1.353 CC(C)(O)C(=O)Cc1ccncc1 1458a_100000242741_100000705612 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 22a_100000106764_100000242741 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.353 O=C(Cc1ccccc1)C(F)(F)F 1458a_100015355933_100015291786 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 1042 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 1043 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 1044 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,1,0,0,0,0|3,0,0]=4 1045 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,1,0,0,0,0|2,0,1]=4 1046 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,1,0,0,0,0|2,0,1]=4 1047 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,1,0,0,0,0|2,0,1]=4 1048 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,1,0,0,0,0|2,0,1]=4 1049 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,1,0,0,0,0|2,0,1]=4 1050 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,1,0,0,0,0|2,0,1]=4 1051 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,1,0,0,0,0|2,0,1]=4 1052 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,1,0,0,0,0|2,0,1]=4 1053 B11R0.163 C=CC=CC(=O)CC(=O)C(=O)C 1458a_100016291481_100011261029 [0,0,1,0,0,0|2,0,0]=3 1054 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,1,0,0|2,0,1]=4 1055 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,1,0,0|3,0,0]=4 1056 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,1,0,0|2,0,1]=4 1057 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,1,0,0|3,0,0]=4 1058 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,1,0,0|3,0,0]=4 1059 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,1,0,0|0,0,2]=3 1060 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,1,0,0|2,0,1]=4 1061 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,1,0,0|2,0,1]=4 1062 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,1,0,0|1,0,2]=4 1063 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,1,0,0|3,0,0]=4 1064 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,1,0,0|3,0,0]=4 1065 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,1,0,0|1,0,2]=4 1066 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,1,0,0|1,0,2]=4 1067 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,1,0,0|2,0,1]=4 1068 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,0|2,0,1]=4 1069 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,0|2,0,1]=4 1070 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,1,0,0|2,0,0]=3 1071 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,1,0,0|2,0,1]=4 1072 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,1,0,0|2,0,1]=4 1073 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,1,0,0|1,0,2]=4 1074 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,1,0,0|1,1,1]=4 1075 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,0,0,1,0,0|3,0,0]=4 1076 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,0,0,1,0,0|3,0,0]=4 1077 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,0,0,1,0,0|3,0,0]=4 1078 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,0,0,1,0,0|3,0,0]=4 1079 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,1,0,0|2,0,0]=3 1080 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,1,0,0|2,0,1]=4 1081 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,1,0,0|1,0,2]=4 1082 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,1,0,0|1,1,1]=4 1083 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,0,0,1,0,0|2,0,1]=4 1084 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,0,0,1,0,0|1,0,1]=3 1085 B13R2.444 O=C(Cc1ccccn1)C2CO2 1458a_100000701028_100000721315 [0,0,0,1,0,0|2,0,1]=4 1086 B13R2.444 O=C(Cc1cccnc1)C2CO2 1458a_100000701028_100000733263 [0,0,0,1,0,0|2,0,1]=4 1087 B13R2.444 O=C(Cc1ccncc1)C2CO2 1458a_100000701028_100000705612 [0,0,0,1,0,0|2,0,1]=4 1088 B13R2.444 O=C(Nc1ccccc1)C2CO2 11a_100000106764_100000701028 [0,0,0,1,0,0|2,0,1]=4 1089 B13R2.444 O=C(Nc1ccccc1)C2CO2 1626a_100000106764_100000701028 [0,0,0,1,0,0|2,0,1]=4 1090 B13R2.444 O=C(Nc1ccccc1)C2CO2 22a_100000106764_100000701028 [0,0,0,1,0,0|2,0,1]=4 1091 B13R2.444 O=C(Nc1ccccc1)C2CO2 527a_100000106764_100000701028 [0,0,0,1,0,0|2,0,1]=4 1092 B11R1.35 C=C(C)C(=O)Cc1ccsc1 1458a_100000185857_100011233845 [0,0,0,0,1,0|3,0,0]=4 1093 B11R1.35 C[C@@H](O)C(=O)Cc1ccsc1 1458a_100000717761_100011233845 [0,0,0,0,1,0|2,0,1]=4 1094 B11R1.35 C[C@H](O)C(=O)Cc1ccsc1 1458a_217856618621_100011233845 [0,0,0,0,1,0|2,0,1]=4 1095 B11R1.35 O=C(Cc1ccsc1)C(O)O 1458a_100000233687_100011233845 [0,0,0,0,1,0|1,0,2]=4 1096 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,1,0|2,0,0]=3 1097 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,1,0|2,0,0]=3 1098 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,0,0,1,0|3,0,0]=4 1099 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,1,0|2,0,1]=4 1100 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,1,0|2,0,1]=4 1101 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,0,0,1,0|3,0,0]=4 1102 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,0,0,1,0|3,0,0]=4 1103 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,0,0,1,0|3,0,0]=4 1104 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,1,0|2,0,1]=4 1105 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,1,0|1,0,2]=4 1106 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,0,0,0,1,0|2,0,1]=4 1107 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,0,0,0,1,0|3,0,0]=4 1108 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,0,0,0,1,0|3,0,0]=4 1109 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,0,0,0,1,0|3,0,0]=4 1110 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,0,0,0,1,0|3,0,0]=4 1111 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,1,0|2,0,1]=4 1112 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,1,0|2,0,1]=4 1113 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,1,0|1,0,2]=4 1114 B13R1.348 C=C(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000748629 [0,0,0,0,0,1|3,0,0]=4 1115 B13R1.348 C=C(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000748629 [0,0,0,0,0,1|3,0,0]=4 1116 B13R1.348 C=C(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000748629 [0,0,0,0,0,1|3,0,0]=4 1117 B13R1.348 C=C(F)CC(=O)C[n+]1ccccc1 1458a_200000086051_100009893438 [0,0,0,0,0,1|3,0,0]=4 1118 B13R1.348 C=C(F)CC(=O)Cc1ccccn1 1458a_100000233486_100009893438 [0,0,0,0,0,1|3,0,0]=4 1119 B13R1.348 C=C(F)CC(=O)Cc1cccnc1 1458a_100000737805_100009893438 [0,0,0,0,0,1|3,0,0]=4 1120 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,0,0,0,0,1|2,0,0]=3 1121 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,0,0,0,0,1|2,0,0]=3 1122 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,0,0,0,0,1|2,0,0]=3 1123 B13R1.348 CC(=CC(=O)Cc1ccccn1)C 1458a_100000211388_100000721315 [0,0,0,0,0,1|3,0,0]=4 1124 B13R1.348 CC(=CC(=O)Cc1ccccn1)Cl 1458a_200042562850_100000721315 [0,0,0,0,0,1|3,0,0]=4 1125 B13R1.348 CC(=CC(=O)Cc1ccccn1)I 1458a_100025716642_100000721315 [0,0,0,0,0,1|3,0,0]=4 1126 B13R1.348 CC(=CC(=O)Cc1cccnc1)C 1458a_100000211388_100000733263 [0,0,0,0,0,1|3,0,0]=4 1127 B13R1.348 CC(=CC(=O)Cc1cccnc1)Cl 1458a_200042562850_100000733263 [0,0,0,0,0,1|3,0,0]=4 1128 B13R1.348 CC(=CC(=O)Cc1cccnc1)I 1458a_100025716642_100000733263 [0,0,0,0,0,1|3,0,0]=4 1129 B13R1.348 CC(=CC(=O)Cc1ccncc1)C 1458a_100000211388_100000705612 [0,0,0,0,0,1|3,0,0]=4 1130 B13R1.348 CC(=CC(=O)Cc1ccncc1)Cl 1458a_200042562850_100000705612 [0,0,0,0,0,1|3,0,0]=4 1131 B13R1.348 CC(=CC(=O)Cc1ccncc1)I 1458a_100025716642_100000705612 [0,0,0,0,0,1|3,0,0]=4 1132 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,0,0,0,0,1|3,0,0]=4 1133 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,0,0,0,0,1|3,0,0]=4 1134 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,0,0,0,0,1|3,0,0]=4 1135 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,0,0,0,0,1|3,0,0]=4 1136 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,0,0,0,0,1|3,0,0]=4 1137 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,0,0,0,0,1|3,0,0]=4 1138 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,0,0,0,0,1|3,0,0]=4 1139 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,0,0,0,0,1|3,0,0]=4 1140 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,0,0,0,0,1|1,0,0]=2 1141 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,0,0,0,1|2,0,0]=3 1142 B13R1.348 CC(=O)CC(=O)Nc1ccccn1 1458a_100000070787_100020662008 [0,0,0,0,0,1|3,0,0]=4 1143 B13R1.348 CC(=O)CC(=O)Nc1ccncc1 1458a_100000070787_100000754145 [0,0,0,0,0,1|3,0,0]=4 1144 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,0,0,0,0,1|2,0,0]=3 1145 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,0,0,0,0,1|3,0,0]=4 1146 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,0,0,0,0,1|2,0,1]=4 1147 B13R1.348 CC(O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011218427 [0,0,0,0,0,1|2,0,1]=4 1148 B13R1.348 CC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218427 [0,0,0,0,0,1|2,0,1]=4 1149 B13R1.348 CC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218427 [0,0,0,0,0,1|2,0,1]=4 1150 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,0,0,0,0,1|3,0,0]=4 1151 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,0,0,0,0,1|3,0,0]=4 1152 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,0,0,0,0,1|3,0,0]=4 1153 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,0,0,0,0,1|3,0,0]=4 1154 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,0,0,0,0,1|3,0,0]=4 1155 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,0,0,0,0,1|3,0,0]=4 1156 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,0,0,0,0,1|3,0,0]=4 1157 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,0,0,0,1|2,0,0]=3 1158 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,0,0,0,1|2,0,0]=3 1159 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,0,0,0,0,1|3,0,0]=4 1160 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,0,0,0,0,1|3,0,0]=4 1161 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,0,0,0,0,1|3,0,0]=4 1162 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,0,0,0,0,1|3,0,0]=4 1163 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,0,0,0,0,1|2,0,1]=4 1164 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,0,0,0,0,1|1,0,1]=3 1165 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccn1 1458a_100011933948_100000721315 [0,0,0,0,0,1|2,0,1]=4 1166 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnc1 1458a_100011933948_100000733263 [0,0,0,0,0,1|2,0,1]=4 1167 B13R1.348 C[C@@H](O)CC(=O)Cc1ccncc1 1458a_100011933948_100000705612 [0,0,0,0,0,1|2,0,1]=4 1168 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,0,0,0,0,1|2,0,1]=4 1169 B13R1.348 C[S+](C)CC(=O)Cc1ccccc1 1458a_200159257847_100015291786 [0,0,0,0,0,1|3,0,0]=4 1170 B13R1.348 NC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000187820 [0,0,0,0,0,1|2,0,0]=3 1171 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,0,0,0,0,1|1,0,0]=2 1172 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000187820 [0,0,0,0,0,1|2,0,0]=3 1173 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100134613110_100000721315 [0,0,0,0,0,1|2,0,0]=3 1174 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000187820 [0,0,0,0,0,1|2,0,0]=3 1175 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100134613110_100000733263 [0,0,0,0,0,1|2,0,0]=3 1176 B13R1.348 NC(=O)CC(=O)Cc1cccnn1 1458a_100134613110_100016990269 [0,0,0,0,0,1|3,0,0]=4 1177 B13R1.348 NC(=O)CC(=O)Cc1ccncc1 1458a_100134613110_100000705612 [0,0,0,0,0,1|2,0,0]=3 1178 B13R1.348 NC(=O)CC(=O)Cc1cnccn1 1458a_100134613110_100016995436 [0,0,0,0,0,1|3,0,0]=4 1179 B13R1.348 NC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000187820 [0,0,0,0,0,1|3,0,0]=4 1180 B13R1.348 NC(=O)CC(=O)Cc1cncnc1 1458a_100134613110_100015196519 [0,0,0,0,0,1|3,0,0]=4 1181 B13R1.348 NC(=O)CC(=O)Cc1ncccn1 1458a_100134613110_100000703007 [0,0,0,0,0,1|3,0,0]=4 1182 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,0,0,0,1|2,0,0]=3 1183 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,0,0,0,1|2,0,0]=3 1184 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccc1 1458a_100000137448_100015291786 [0,0,0,0,0,1|2,0,0]=3 1185 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccn1 1458a_100000137448_100000721315 [0,0,0,0,0,1|3,0,0]=4 1186 B13R1.348 O=C(C=C(Cl)Cl)Cc1cccnc1 1458a_100000137448_100000733263 [0,0,0,0,0,1|3,0,0]=4 1187 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccncc1 1458a_100000137448_100000705612 [0,0,0,0,0,1|3,0,0]=4 1188 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,0,0,0,0,1|3,0,0]=4 1189 B13R1.348 O=C(C[N+](=O)[O-])C[n+]1ccccc1 1458a_200000086051_100000761209 [0,0,0,0,0,1|2,0,1]=4 1190 B13R1.348 O=C(Cc1ccccn1)C[N+](=O)[O-] 1458a_100000233486_100000761209 [0,0,0,0,0,1|2,0,1]=4 1191 B13R1.348 O=C(Cc1cccnc1)C[N+](=O)[O-] 1458a_100000737805_100000761209 [0,0,0,0,0,1|2,0,1]=4 1192 B13R1.348 O=C([O-])CC(=O)C[n+]1ccccc1 1458a_200000086051_100020667443 [0,0,0,0,0,1|1,0,1]=3 1193 B13R1.348 O=C([O-])CC(=O)Cc1ccccn1 1458a_100000233486_100020667443 [0,0,0,0,0,1|1,0,1]=3 1194 B13R1.348 O=C([O-])CC(=O)Cc1cccnc1 1458a_100000737805_100020667443 [0,0,0,0,0,1|1,0,1]=3 1195 B13R1.348 O=C([O-])CC(=O)Cc1cncnc1 1458a_100000721575_100020667443 [0,0,0,0,0,1|2,0,1]=4 1196 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,0,0,0,1|2,0,0]=3 1197 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,0,0,0,0,1|2,0,0]=3 1198 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,0,0,0,0,1|2,0,0]=3 1199 B13R1.351 C=C(Br)C(=O)NCc1ccccn1 11a_100000210449_100009813364 [0,0,0,0,0,1|3,0,0]=4 1200 B13R1.351 C=C(Br)C(=O)NCc1ccccn1 1626a_100000210449_100009813364 [0,0,0,0,0,1|3,0,0]=4 1201 B13R1.351 C=C(Br)C(=O)NCc1cccnc1 11a_100000210453_100009813364 [0,0,0,0,0,1|3,0,0]=4 1202 B13R1.351 C=C(Br)C(=O)NCc1ccncc1 11a_100000210450_100009813364 [0,0,0,0,0,1|3,0,0]=4 1203 B13R1.351 C=C(Br)C(=O)NCc1ccncc1 1626a_100000210450_100009813364 [0,0,0,0,0,1|3,0,0]=4 1204 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,0,0,0,0,1|2,0,0]=3 1205 B13R1.351 C=C(C)C(=O)CCc1ccccn1 1458a_100000185857_100015183660 [0,0,0,0,0,1|3,0,0]=4 1206 B13R1.351 C=C(C)C(=O)CCc1cccnc1 1458a_100000185857_200011713674 [0,0,0,0,0,1|3,0,0]=4 1207 B13R1.351 C=C(C)C(=O)CCc1ccncc1 1458a_100000185857_100000723409 [0,0,0,0,0,1|3,0,0]=4 1208 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,0,0,0,0,1|2,0,0]=3 1209 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,0,0,0,0,1|2,0,0]=3 1210 B13R1.351 C=C(C)C(=O)NCc1ccccn1 11a_100000210449_100000185857 [0,0,0,0,0,1|3,0,0]=4 1211 B13R1.351 C=C(C)C(=O)NCc1ccccn1 1626a_100000210449_100000185857 [0,0,0,0,0,1|3,0,0]=4 1212 B13R1.351 C=C(C)C(=O)NCc1cccnc1 11a_100000210453_100000185857 [0,0,0,0,0,1|3,0,0]=4 1213 B13R1.351 C=C(C)C(=O)NCc1ccncc1 11a_100000210450_100000185857 [0,0,0,0,0,1|3,0,0]=4 1214 B13R1.351 C=C(C)C(=O)NCc1ccncc1 1626a_100000210450_100000185857 [0,0,0,0,0,1|3,0,0]=4 1215 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,0,0,0,0,1|3,0,0]=4 1216 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,0,0,0,0,1|2,0,0]=3 1217 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,0,0,0,0,1|2,0,0]=3 1218 B13R1.351 C=C(Cl)C(=O)NCc1ccccn1 11a_100000210449_100000039160 [0,0,0,0,0,1|3,0,0]=4 1219 B13R1.351 C=C(Cl)C(=O)NCc1ccccn1 1626a_100000210449_100000039160 [0,0,0,0,0,1|3,0,0]=4 1220 B13R1.351 C=C(Cl)C(=O)NCc1cccnc1 11a_100000210453_100000039160 [0,0,0,0,0,1|3,0,0]=4 1221 B13R1.351 C=C(Cl)C(=O)NCc1ccncc1 11a_100000210450_100000039160 [0,0,0,0,0,1|3,0,0]=4 1222 B13R1.351 C=C(Cl)C(=O)NCc1ccncc1 1626a_100000210450_100000039160 [0,0,0,0,0,1|3,0,0]=4 1223 B13R1.351 C=C(Cl)C(=O)NNc1ccccc1 22a_100015195140_100000039160 [0,0,0,0,0,1|3,0,0]=4 1224 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,0,0,0,0,1|2,0,0]=3 1225 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,0,0,0,0,1|2,0,0]=3 1226 B13R1.351 C=C(F)C(=O)NCc1ccccn1 11a_100000210449_100000036797 [0,0,0,0,0,1|3,0,0]=4 1227 B13R1.351 C=C(F)C(=O)NCc1ccccn1 1626a_100000210449_100000036797 [0,0,0,0,0,1|3,0,0]=4 1228 B13R1.351 C=C(F)C(=O)NCc1cccnc1 11a_100000210453_100000036797 [0,0,0,0,0,1|3,0,0]=4 1229 B13R1.351 C=C(F)C(=O)NCc1ccncc1 11a_100000210450_100000036797 [0,0,0,0,0,1|3,0,0]=4 1230 B13R1.351 C=C(F)C(=O)NCc1ccncc1 1626a_100000210450_100000036797 [0,0,0,0,0,1|3,0,0]=4 1231 B13R1.351 C=C(F)C(=O)NNc1ccccc1 22a_100015195140_100000036797 [0,0,0,0,0,1|3,0,0]=4 1232 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,0,0,0,1|1,0,0]=2 1233 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,0,0,0,0,1|1,0,0]=2 1234 B13R1.351 CC(=O)C(=O)COc1cccnc1 34a_100000210849_100011261029 [0,0,0,0,0,1|2,0,0]=3 1235 B13R1.351 CC(=O)C(=O)COc1ccncc1 34a_100000212176_100011261029 [0,0,0,0,0,1|2,0,0]=3 1236 B13R1.351 CC(=O)C(=O)COc1ccnnc1 34a_100015204005_100011261029 [0,0,0,0,0,1|3,0,0]=4 1237 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,0,0,0,0,1|1,0,0]=2 1238 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,0,0,0,0,1|1,0,0]=2 1239 B13R1.351 CC(=O)C(=O)CSc1ccccn1 62a_100011216584_100011261029 [0,0,0,0,0,1|2,0,0]=3 1240 B13R1.351 CC(=O)C(=O)CSc1ccccn1 62a_100011261029_100011216584 [0,0,0,0,0,1|2,0,0]=3 1241 B13R1.351 CC(=O)C(=O)CSc1cccnc1 62a_100000210063_100011261029 [0,0,0,0,0,1|2,0,0]=3 1242 B13R1.351 CC(=O)C(=O)CSc1cccnc1 62a_100011261029_100000210063 [0,0,0,0,0,1|2,0,0]=3 1243 B13R1.351 CC(=O)C(=O)CSc1cccnn1 62a_100011261029_100016991348 [0,0,0,0,0,1|3,0,0]=4 1244 B13R1.351 CC(=O)C(=O)CSc1cccnn1 62a_100016991348_100011261029 [0,0,0,0,0,1|3,0,0]=4 1245 B13R1.351 CC(=O)C(=O)CSc1ccncc1 62a_100000728582_100011261029 [0,0,0,0,0,1|2,0,0]=3 1246 B13R1.351 CC(=O)C(=O)CSc1ccncc1 62a_100011261029_100000728582 [0,0,0,0,0,1|2,0,0]=3 1247 B13R1.351 CC(=O)C(=O)CSc1ccncn1 62a_100000703185_100011261029 [0,0,0,0,0,1|3,0,0]=4 1248 B13R1.351 CC(=O)C(=O)CSc1ccncn1 62a_100011261029_100000703185 [0,0,0,0,0,1|3,0,0]=4 1249 B13R1.351 CC(=O)C(=O)CSc1ccnnc1 62a_100000732662_100011261029 [0,0,0,0,0,1|3,0,0]=4 1250 B13R1.351 CC(=O)C(=O)CSc1ccnnc1 62a_100011261029_100000732662 [0,0,0,0,0,1|3,0,0]=4 1251 B13R1.351 CC(=O)C(=O)CSc1cnccn1 62a_100000211759_100011261029 [0,0,0,0,0,1|3,0,0]=4 1252 B13R1.351 CC(=O)C(=O)CSc1cnccn1 62a_100011261029_100000211759 [0,0,0,0,0,1|3,0,0]=4 1253 B13R1.351 CC(=O)C(=O)CSc1cncnc1 62a_100011206942_100011261029 [0,0,0,0,0,1|3,0,0]=4 1254 B13R1.351 CC(=O)C(=O)CSc1cncnc1 62a_100011261029_100011206942 [0,0,0,0,0,1|3,0,0]=4 1255 B13R1.351 CC(=O)C(=O)CSc1ncccn1 62a_100000211032_100011261029 [0,0,0,0,0,1|3,0,0]=4 1256 B13R1.351 CC(=O)C(=O)CSc1ncccn1 62a_100011261029_100000211032 [0,0,0,0,0,1|3,0,0]=4 1257 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,0,0,0,0,1|2,0,1]=4 1258 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,0,0,0,0,1|2,0,1]=4 1259 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,0,0,0,0,1|2,0,1]=4 1260 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,0,0,0,0,1|2,0,1]=4 1261 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,0,0,0,0,1|2,0,1]=4 1262 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,0,0,0,0,1|2,0,1]=4 1263 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,0,0,0,0,1|2,0,1]=4 1264 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,0,0,0,0,1|1,0,2]=4 1265 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,0,0,0,0,1|3,0,0]=4 1266 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,0,0,0,0,1|3,0,0]=4 1267 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,0,0,0,0,1|3,0,0]=4 1268 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,0,0,0,0,1|3,0,0]=4 1269 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,0,0,0,0,1|2,0,1]=4 1270 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,0,0,0,0,1|2,0,1]=4 1271 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,0,0,0,0,1|2,0,1]=4 1272 B13R1.351 CC(C)C(=O)CNc1ccccc1 34a_100000106764_100000753385 [0,0,0,0,0,1|2,0,1]=4 1273 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [0,0,0,0,0,1|2,0,1]=4 1274 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [0,0,0,0,0,1|2,0,1]=4 1275 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [0,0,0,0,0,1|2,0,1]=4 1276 B13R1.351 CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000210206 [0,0,0,0,0,1|2,0,1]=4 1277 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000719477_100000753385 [0,0,0,0,0,1|2,0,1]=4 1278 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000753385_100000041952 [0,0,0,0,0,1|2,0,1]=4 1279 B13R1.351 CC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210198 [0,0,0,0,0,1|2,0,1]=4 1280 B13R1.351 CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210198 [0,0,0,0,0,1|2,0,1]=4 1281 B13R1.351 CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210198 [0,0,0,0,0,1|2,0,1]=4 1282 B13R1.351 CC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210198 [0,0,0,0,0,1|2,0,1]=4 1283 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,0,0,0,0,1|2,0,1]=4 1284 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [0,0,0,0,0,1|2,0,1]=4 1285 B13R1.351 CC(F)C(=O)NCc1ccccc1 11a_100015324214_100000062450 [0,0,0,0,0,1|2,0,1]=4 1286 B13R1.351 CC(F)C(=O)NCc1ccccc1 1626a_100015324214_100000062450 [0,0,0,0,0,1|2,0,1]=4 1287 B13R1.351 CC(F)C(=O)NCc1ccccc1 240690a_100015324214_100000062450 [0,0,0,0,0,1|2,0,1]=4 1288 B13R1.351 CC(F)C(=O)NCc1ccccc1 527a_100015324214_100000062450 [0,0,0,0,0,1|2,0,1]=4 1289 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,0,0,0,0,1|2,0,1]=4 1290 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,0,0,0,0,1|2,0,1]=4 1291 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,0,0,0,0,1|2,0,1]=4 1292 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,0,0,0,0,1|2,0,1]=4 1293 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,0,0,0,0,1|2,0,1]=4 1294 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,0,0,0,0,1|2,0,1]=4 1295 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,0,0,0,0,1|2,0,1]=4 1296 B13R1.351 CN(C)C(=O)CCc1ccccc1 11a_100102631434_100000185753 [0,0,0,0,0,1|3,0,0]=4 1297 B13R1.351 CN(C)C(=O)CCc1ccccc1 1626a_100102631434_100000185753 [0,0,0,0,0,1|3,0,0]=4 1298 B13R1.351 CN(C)C(=O)CCc1ccccc1 240690a_100102631434_100000185753 [0,0,0,0,0,1|3,0,0]=4 1299 B13R1.351 CN(C)C(=O)CCc1ccccc1 271570a_200010232142_100000210277 [0,0,0,0,0,1|3,0,0]=4 1300 B13R1.351 CN(C)C(=O)CCc1ccccc1 527a_100102631434_100000185753 [0,0,0,0,0,1|3,0,0]=4 1301 B13R1.351 CN(C)C(=O)CNc1ccccc1 34a_100000106764_100000692301 [0,0,0,0,0,1|3,0,0]=4 1302 B13R1.351 CN(C)C(=O)COc1ccccc1 11a_100102631434_100000186222 [0,0,0,0,0,1|3,0,0]=4 1303 B13R1.351 CN(C)C(=O)COc1ccccc1 1626a_100102631434_100000186222 [0,0,0,0,0,1|3,0,0]=4 1304 B13R1.351 CN(C)C(=O)COc1ccccc1 240690a_100102631434_100000186222 [0,0,0,0,0,1|3,0,0]=4 1305 B13R1.351 CN(C)C(=O)COc1ccccc1 34a_100000210340_100000692301 [0,0,0,0,0,1|3,0,0]=4 1306 B13R1.351 CN(C)C(=O)COc1ccccc1 527a_100102631434_100000186222 [0,0,0,0,0,1|3,0,0]=4 1307 B13R1.351 CN(C)C(=O)COc1ccccc1 7a_100000210340_100000692301 [0,0,0,0,0,1|3,0,0]=4 1308 B13R1.351 CN(C)C(=O)CSc1ccccc1 11a_100102631434_100000211596 [0,0,0,0,0,1|3,0,0]=4 1309 B13R1.351 CN(C)C(=O)CSc1ccccc1 1626a_100102631434_100000211596 [0,0,0,0,0,1|3,0,0]=4 1310 B13R1.351 CN(C)C(=O)CSc1ccccc1 240690a_100102631434_100000211596 [0,0,0,0,0,1|3,0,0]=4 1311 B13R1.351 CN(C)C(=O)CSc1ccccc1 527a_100102631434_100000211596 [0,0,0,0,0,1|3,0,0]=4 1312 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000692301_100000041952 [0,0,0,0,0,1|3,0,0]=4 1313 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000719477_100000692301 [0,0,0,0,0,1|3,0,0]=4 1314 B13R1.351 CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100102631434 [0,0,0,0,0,1|3,0,0]=4 1315 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,0,0,0,0,1|2,0,1]=4 1316 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,0,0,0,0,1|2,0,1]=4 1317 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,0,0,0,0,1|2,0,1]=4 1318 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,0,0,0,0,1|1,0,1]=3 1319 B13R1.351 C[C@@H](O)C(=O)CCc1ccccn1 1458a_100000717761_100015183660 [0,0,0,0,0,1|2,0,1]=4 1320 B13R1.351 C[C@@H](O)C(=O)CCc1cccnc1 1458a_100000717761_200011713674 [0,0,0,0,0,1|2,0,1]=4 1321 B13R1.351 C[C@@H](O)C(=O)CCc1ccncc1 1458a_100000717761_100000723409 [0,0,0,0,0,1|2,0,1]=4 1322 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,0,0,0,0,1|1,0,1]=3 1323 B13R1.351 C[C@@H](O)C(=O)NCc1ccccn1 240690a_100000210449_100000717761 [0,0,0,0,0,1|2,0,1]=4 1324 B13R1.351 C[C@@H](O)C(=O)NCc1cccnc1 240690a_100000210453_100000717761 [0,0,0,0,0,1|2,0,1]=4 1325 B13R1.351 C[C@@H](O)C(=O)NCc1ccncc1 240690a_100000210450_100000717761 [0,0,0,0,0,1|2,0,1]=4 1326 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [0,0,0,0,0,1|2,0,1]=4 1327 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,0,0,0,0,1|2,0,1]=4 1328 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,0,0,0,0,1|2,0,1]=4 1329 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,0,0,0,1|1,0,1]=3 1330 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,0,0,0,0,1|2,0,1]=4 1331 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,0,0,0,0,1|2,0,1]=4 1332 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,0,0,0,0,1|2,0,1]=4 1333 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,0,0,0,0,1|1,0,1]=3 1334 B13R1.351 C[C@H](O)C(=O)CCc1ccccn1 1458a_217856618621_100015183660 [0,0,0,0,0,1|2,0,1]=4 1335 B13R1.351 C[C@H](O)C(=O)CCc1cccnc1 1458a_217856618621_200011713674 [0,0,0,0,0,1|2,0,1]=4 1336 B13R1.351 C[C@H](O)C(=O)CCc1ccncc1 1458a_217856618621_100000723409 [0,0,0,0,0,1|2,0,1]=4 1337 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,0,0,0,0,1|1,0,1]=3 1338 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,0,0,0,0,1|1,0,1]=3 1339 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 1626a_100000210449_217856618621 [0,0,0,0,0,1|2,0,1]=4 1340 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 240690a_100000210449_217856618621 [0,0,0,0,0,1|2,0,1]=4 1341 B13R1.351 C[C@H](O)C(=O)NCc1cccnc1 240690a_100000210453_217856618621 [0,0,0,0,0,1|2,0,1]=4 1342 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 1626a_100000210450_217856618621 [0,0,0,0,0,1|2,0,1]=4 1343 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 240690a_100000210450_217856618621 [0,0,0,0,0,1|2,0,1]=4 1344 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [0,0,0,0,0,1|2,0,1]=4 1345 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,0,0,0,0,1|2,0,1]=4 1346 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,0,0,0,0,1|1,0,2]=4 1347 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,0,0,0,0,1|1,0,0]=2 1348 B13R1.351 NC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100011215815 [0,0,0,0,0,1|2,0,0]=3 1349 B13R1.351 NC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100011215815 [0,0,0,0,0,1|2,0,0]=3 1350 B13R1.351 NC(=O)C(=O)NCc1cccnn1 240690a_100159270163_100011215815 [0,0,0,0,0,1|3,0,0]=4 1351 B13R1.351 NC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100011215815 [0,0,0,0,0,1|2,0,0]=3 1352 B13R1.351 NC(=O)C(=O)NCc1ccncn1 240690a_100000736019_100011215815 [0,0,0,0,0,1|3,0,0]=4 1353 B13R1.351 NC(=O)C(=O)NCc1cnccn1 240690a_100000737960_100011215815 [0,0,0,0,0,1|3,0,0]=4 1354 B13R1.351 NC(=O)C(=O)NCc1cncnc1 240690a_100011243677_100011215815 [0,0,0,0,0,1|3,0,0]=4 1355 B13R1.351 NC(=O)C(=O)NCc1ncccn1 240690a_100015189908_100011215815 [0,0,0,0,0,1|3,0,0]=4 1356 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,0,0,0,0,1|2,0,0]=3 1357 B13R1.351 NC(=O)C(=O)NNc1ccccn1 22a_100000183288_100011215815 [0,0,0,0,0,1|3,0,0]=4 1358 B13R1.351 NC(=O)C(=O)NNc1cccnc1 22a_100000728903_100011215815 [0,0,0,0,0,1|3,0,0]=4 1359 B13R1.351 NC(=O)C(=O)NNc1ccncc1 22a_100000698918_100011215815 [0,0,0,0,0,1|3,0,0]=4 1360 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,0,0,0,0,1|2,0,1]=4 1361 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,0,0,0,0,1|2,0,1]=4 1362 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,0,0,0,0,1|2,0,1]=4 1363 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,0,0,0,0,1|2,0,1]=4 1364 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,0,0,0,0,1|2,0,1]=4 1365 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,0,0,0,0,1|2,0,1]=4 1366 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,0,0,0,0,1|0,0,2]=3 1367 B13R1.351 O=C(CCc1ccccn1)C(O)O 1458a_100000233687_100015183660 [0,0,0,0,0,1|1,0,2]=4 1368 B13R1.351 O=C(CCc1cccnc1)C(O)O 1458a_100000233687_200011713674 [0,0,0,0,0,1|1,0,2]=4 1369 B13R1.351 O=C(CCc1ccncc1)C(O)O 1458a_100000233687_100000723409 [0,0,0,0,0,1|1,0,2]=4 1370 B13R1.351 O=C(NCc1ccccc1)C(F)F 11a_100015324214_100000210393 [0,0,0,0,0,1|2,0,1]=4 1371 B13R1.351 O=C(NCc1ccccc1)C(F)F 1626a_100015324214_100000210393 [0,0,0,0,0,1|2,0,1]=4 1372 B13R1.351 O=C(NCc1ccccc1)C(F)F 240690a_100015324214_100000210393 [0,0,0,0,0,1|2,0,1]=4 1373 B13R1.351 O=C(NCc1ccccc1)C(F)F 527a_100015324214_100000210393 [0,0,0,0,0,1|2,0,1]=4 1374 B13R1.351 O=C(NCc1ccccc1)C(O)O 240690a_100015324214_100000233687 [0,0,0,0,0,1|0,0,2]=3 1375 B13R1.351 O=C(NCc1ccccn1)C(O)O 240690a_100000210449_100000233687 [0,0,0,0,0,1|1,0,2]=4 1376 B13R1.351 O=C(NCc1cccnc1)C(O)O 240690a_100000210453_100000233687 [0,0,0,0,0,1|1,0,2]=4 1377 B13R1.351 O=C(NCc1ccncc1)C(O)O 240690a_100000210450_100000233687 [0,0,0,0,0,1|1,0,2]=4 1378 B13R1.351 O=C(NNc1ccccc1)C(O)O 22a_100015195140_100000233687 [0,0,0,0,0,1|1,0,2]=4 1379 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,0,0,0,0,1|1,0,2]=4 1380 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,0,0,0,0,1|1,0,2]=4 1381 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,0,0,0,0,1|1,0,2]=4 1382 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,0,0,0,0,1|1,0,2]=4 1383 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,0,0,0,0,1|1,0,2]=4 1384 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,1]=4 1385 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 1386 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 1387 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,1]=4 1388 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,1]=4 1389 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1390 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|0,0,1]=3 1391 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|1,0,1]=4 1392 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|1,0,1]=4 1393 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|1,0,1]=4 1394 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|1,0,1]=4 1395 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|1,0,1]=4 1396 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|1,0,1]=4 1397 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|1,0,1]=4 1398 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|1,0,1]=4 1399 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|1,0,1]=4 1400 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1401 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|1,0,1]=4 1402 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|1,0,1]=4 1403 B12R0.123 C/C=C/C=CC(=O)CC(=O)C(=O)C 1458a_100000185730_100011261029 [0,1,1,0,0,0|1,0,1]=4 1404 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [1,1,0,0,0,0|1,0,1]=4 1405 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [1,1,0,0,0,0|2,0,0]=4 1406 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [1,1,0,0,0,0|1,0,0]=3 1407 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [1,1,0,0,0,0|2,0,0]=4 1412 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 1413 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 1415 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 1416 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [1,1,0,0,0,0|1,0,1]=4 1417 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [1,1,0,0,0,0|1,0,0]=3 1418 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [1,1,0,0,0,0|2,0,0]=4 1419 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [1,1,0,0,0,0|2,0,0]=4 1420 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [1,1,0,0,0,0|2,0,0]=4 1421 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [1,1,0,0,0,0|2,0,0]=4 1422 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [1,1,0,0,0,0|2,0,0]=4 1423 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [1,1,0,0,0,0|2,0,0]=4 1424 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [1,1,0,0,0,0|1,0,1]=4 1425 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,1,0,0,0,0|2,0,0]=4 1426 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,1,0,0,0,0|2,0,0]=4 1427 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [1,1,0,0,0,0|1,0,1]=4 1428 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [1,1,0,0,0,0|1,0,1]=4 1429 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [1,1,0,0,0,0|0,0,1]=3 1430 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [1,1,0,0,0,0|1,0,1]=4 1431 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [1,1,0,0,0,0|1,0,1]=4 1432 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [1,1,0,0,0,0|1,0,1]=4 1433 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 1434 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 1435 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 1436 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [1,1,0,0,0,0|1,0,1]=4 1437 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [1,1,0,0,0,0|1,0,1]=4 1438 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 1439 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [1,1,0,0,0,0|1,0,1]=4 1440 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [1,1,0,0,0,0|0,1,1]=4 1441 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [1,1,0,0,0,0|0,1,1]=4 1442 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [1,1,0,0,0,0|0,1,1]=4 1443 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [1,1,0,0,0,0|1,0,1]=4 1444 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [1,1,0,0,0,0|1,0,0]=3 1445 B12R1.32 O=C(C=CBr)Cc1ccccn1 1458a_100016273825_100000721315 [1,1,0,0,0,0|2,0,0]=4 1446 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [1,1,0,0,0,0|2,0,0]=4 1447 B12R1.32 O=C(C=CBr)Cc1ccncc1 1458a_100016273825_100000705612 [1,1,0,0,0,0|2,0,0]=4 1448 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [1,1,0,0,0,0|2,0,0]=4 1449 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [1,1,0,0,0,0|1,0,0]=3 1450 B12R1.32 O=C(C=CCl)Cc1ccccn1 1458a_200016279998_100000721315 [1,1,0,0,0,0|2,0,0]=4 1451 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [1,1,0,0,0,0|2,0,0]=4 1452 B12R1.32 O=C(C=CCl)Cc1ccncc1 1458a_200016279998_100000705612 [1,1,0,0,0,0|2,0,0]=4 1453 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [1,1,0,0,0,0|2,0,0]=4 1454 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [1,1,0,0,0,0|2,0,0]=4 1455 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [1,1,0,0,0,0|1,0,0]=3 1456 B12R1.32 O=C(C=CI)Cc1ccccn1 1458a_100016256311_100000721315 [1,1,0,0,0,0|2,0,0]=4 1457 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [1,1,0,0,0,0|2,0,0]=4 1458 B12R1.32 O=C(C=CI)Cc1ccncc1 1458a_100016256311_100000705612 [1,1,0,0,0,0|2,0,0]=4 1459 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [1,1,0,0,0,0|2,0,0]=4 1460 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [1,1,0,0,0,0|1,0,1]=4 1461 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [1,1,0,0,0,0|0,0,1]=3 1462 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [1,1,0,0,0,0|1,0,1]=4 1463 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [1,1,0,0,0,0|1,0,1]=4 1464 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [1,1,0,0,0,0|1,0,1]=4 1465 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [1,1,0,0,0,0|1,0,1]=4 1466 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [1,1,0,0,0,0|1,0,1]=4 1467 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [1,1,0,0,0,0|1,0,1]=4 1468 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [1,1,0,0,0,0|1,0,1]=4 1469 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [1,1,0,0,0,0|0,1,1]=4 1470 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [1,1,0,0,0,0|0,1,1]=4 1471 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [1,1,0,0,0,0|1,0,1]=4 1472 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [1,1,0,0,0,0|1,0,0]=3 1473 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [1,1,0,0,0,0|2,0,0]=4 1474 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [1,1,0,0,0,0|2,0,0]=4 1475 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [1,1,0,0,0,0|0,0,1]=3 1476 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [1,1,0,0,0,0|1,0,1]=4 1477 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [1,1,0,0,0,0|1,0,1]=4 1478 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [1,1,0,0,0,0|1,0,1]=4 1479 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,1,0,0,0,0|1,0,1]=4 1480 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [1,1,0,0,0,0|1,0,1]=4 1481 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [1,1,0,0,0,0|2,0,0]=4 1482 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 1483 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 1484 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 1485 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [1,1,0,0,0,0|2,0,0]=4 1486 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 1487 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 1488 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 1489 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [1,1,0,0,0,0|2,0,0]=4 1490 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [1,1,0,0,0,0|1,0,1]=4 1491 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [1,1,0,0,0,0|1,0,1]=4 1492 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [1,1,0,0,0,0|1,0,1]=4 1493 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [1,1,0,0,0,0|1,0,1]=4 1494 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [1,1,0,0,0,0|1,0,1]=4 1495 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [1,1,0,0,0,0|1,0,1]=4 1496 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [1,1,0,0,0,0|1,0,1]=4 1497 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [1,1,0,0,0,0|1,0,1]=4 1498 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [1,1,0,0,0,0|1,0,0]=3 1499 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [1,1,0,0,0,0|1,0,0]=3 1500 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [1,1,0,0,0,0|1,0,0]=3 1501 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [1,1,0,0,0,0|1,0,0]=3 1502 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [1,1,0,0,0,0|1,0,0]=3 1503 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [1,1,0,0,0,0|2,0,0]=4 1504 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [1,1,0,0,0,0|2,0,0]=4 1505 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [1,1,0,0,0,0|2,0,0]=4 1506 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [1,1,0,0,0,0|2,0,0]=4 1507 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [1,1,0,0,0,0|2,0,0]=4 1508 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [1,1,0,0,0,0|2,0,0]=4 1509 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [1,1,0,0,0,0|2,0,0]=4 1510 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [1,1,0,0,0,0|2,0,0]=4 1511 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [1,1,0,0,0,0|2,0,0]=4 1512 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [1,1,0,0,0,0|2,0,0]=4 1513 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [1,1,0,0,0,0|2,0,0]=4 1514 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [1,1,0,0,0,0|2,0,0]=4 1515 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [1,1,0,0,0,0|2,0,0]=4 1516 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [1,1,0,0,0,0|2,0,0]=4 1517 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [1,1,0,0,0,0|2,0,0]=4 1518 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [1,1,0,0,0,0|2,0,0]=4 1519 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [1,1,0,0,0,0|2,0,0]=4 1520 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [1,1,0,0,0,0|2,0,0]=4 1521 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,1,0,0,0,0|2,0,0]=4 1522 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [1,1,0,0,0,0|1,0,1]=4 1523 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [1,1,0,0,0,0|1,0,1]=4 1524 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [1,1,0,0,0,0|1,0,1]=4 1525 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [1,1,0,0,0,0|1,0,1]=4 1526 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [1,1,0,0,0,0|1,0,1]=4 1527 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [1,1,0,0,0,0|1,0,1]=4 1528 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [1,1,0,0,0,0|1,0,1]=4 1529 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [1,1,0,0,0,0|1,0,1]=4 1530 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [1,1,0,0,0,0|1,0,1]=4 1531 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [1,1,0,0,0,0|1,0,1]=4 1532 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [1,1,0,0,0,0|1,0,1]=4 1533 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,1,0,0,0,0|2,0,0]=4 1534 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 1535 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 1536 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,1,0,0,0,0|2,0,0]=4 1537 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,1,0,0,0,0|2,0,0]=4 1538 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,1,0,0,0,0|2,0,0]=4 1539 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,1,0,0,0,0|2,0,0]=4 1540 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 1541 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 1542 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,1,0,0,0,0|2,0,0]=4 1543 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 1544 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 1545 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 1546 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,1,0,0,0,0|2,0,0]=4 1547 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 1548 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 1549 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 1550 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,1,0,0,0,0|2,0,0]=4 1551 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,1,0,0,0,0|2,0,0]=4 1552 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,1,0,0,0,0|2,0,0]=4 1553 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,1,0,0,0,0|2,0,0]=4 1554 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,1,0,0,0,0|2,0,0]=4 1555 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [1,1,0,0,0,0|1,0,1]=4 1556 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [1,1,0,0,0,0|0,0,1]=3 1557 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [1,1,0,0,0,0|1,0,1]=4 1558 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [1,1,0,0,0,0|1,0,1]=4 1559 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [1,1,0,0,0,0|1,0,1]=4 1560 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [1,1,0,0,0,0|1,0,1]=4 1561 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [1,1,0,0,0,0|1,0,1]=4 1562 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [1,1,0,0,0,0|1,0,1]=4 1563 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [1,1,0,0,0,0|1,0,1]=4 1564 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [1,1,0,0,0,0|1,0,1]=4 1565 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [1,1,0,0,0,0|1,0,1]=4 1566 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [1,1,0,0,0,0|0,0,1]=3 1567 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [1,1,0,0,0,0|0,0,1]=3 1568 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [1,1,0,0,0,0|0,0,1]=3 1569 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [1,1,0,0,0,0|0,0,1]=3 1570 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [1,1,0,0,0,0|1,0,1]=4 1571 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [1,1,0,0,0,0|1,0,1]=4 1572 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [1,1,0,0,0,0|1,0,1]=4 1573 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [1,1,0,0,0,0|1,0,1]=4 1574 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [1,1,0,0,0,0|1,0,1]=4 1575 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [1,1,0,0,0,0|1,0,1]=4 1576 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [1,1,0,0,0,0|1,0,1]=4 1577 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [1,1,0,0,0,0|1,0,1]=4 1578 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [1,1,0,0,0,0|1,0,1]=4 1579 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [1,1,0,0,0,0|1,0,1]=4 1580 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [1,1,0,0,0,0|1,0,1]=4 1581 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [1,1,0,0,0,0|1,0,1]=4 1582 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [1,1,0,0,0,0|1,0,1]=4 1583 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [1,1,0,0,0,0|1,0,1]=4 1584 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [1,1,0,0,0,0|1,0,1]=4 1585 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [1,1,0,0,0,0|1,0,1]=4 1586 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [1,1,0,0,0,0|1,0,1]=4 1587 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [1,1,0,0,0,0|1,0,1]=4 1588 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [1,1,0,0,0,0|1,0,1]=4 1589 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [1,1,0,0,0,0|1,0,1]=4 1590 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [1,1,0,0,0,0|1,0,1]=4 1591 B12R1.50 C=CC(=O)Cc1cc(ccn1)Br 1458a_100000185746_100010173614 [1,1,0,0,0,0|2,0,0]=4 1592 B12R1.50 C=CC(=O)Cc1cc(ccn1)C 1458a_100000185746_100000718516 [1,1,0,0,0,0|2,0,0]=4 1593 B12R1.50 C=CC(=O)Cc1cc(ccn1)Cl 1458a_100000185746_100016988179 [1,1,0,0,0,0|2,0,0]=4 1594 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [1,1,0,0,0,0|1,0,0]=3 1595 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [1,1,0,0,0,0|1,0,0]=3 1596 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [1,1,0,0,0,0|1,0,0]=3 1597 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [1,1,0,0,0,0|1,0,0]=3 1598 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [1,1,0,0,0,0|1,0,0]=3 1599 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [1,1,0,0,0,0|1,0,0]=3 1600 B12R1.50 C=CC(=O)Cc1cccc(n1)Br 1458a_100000185746_100009889011 [1,1,0,0,0,0|2,0,0]=4 1601 B12R1.50 C=CC(=O)Cc1cccc(n1)C 1458a_100000185746_100000757606 [1,1,0,0,0,0|2,0,0]=4 1602 B12R1.50 C=CC(=O)Cc1cccc(n1)Cl 1458a_100000185746_100000086093 [1,1,0,0,0,0|2,0,0]=4 1603 B12R1.50 C=CC(=O)Cc1cccc(n1)F 1458a_100000185746_100009819644 [1,1,0,0,0,0|2,0,0]=4 1604 B12R1.50 C=CC(=O)Cc1ccnc(c1)Br 1458a_100000185746_100010243470 [1,1,0,0,0,0|2,0,0]=4 1605 B12R1.50 C=CC(=O)Cc1ccnc(c1)C 1458a_100000185746_200020672517 [1,1,0,0,0,0|2,0,0]=4 1606 B12R1.50 C=CC(=O)Cc1ccnc(c1)Cl 1458a_100000185746_100000764220 [1,1,0,0,0,0|2,0,0]=4 1607 B12R1.50 C=CC(=O)Cc1cncc(c1)Br 1458a_100000185746_100011740620 [1,1,0,0,0,0|2,0,0]=4 1608 B12R1.50 C=CC(=O)Cc1cncc(c1)C 1458a_100000185746_100000716715 [1,1,0,0,0,0|2,0,0]=4 1609 B12R1.50 C=CC(=O)Cc1cncc(c1)Cl 1458a_100000185746_100016992070 [1,1,0,0,0,0|2,0,0]=4 1610 B12R1.50 C=CC(=O)Cc1cncc(c1)F 1458a_100000185746_100000725299 [1,1,0,0,0,0|2,0,0]=4 1611 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [1,1,0,0,0,0|2,0,0]=4 1612 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [1,1,0,0,0,0|2,0,0]=4 1613 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [1,1,0,0,0,0|2,0,0]=4 1614 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [1,1,0,0,0,0|2,0,0]=4 1615 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [1,1,0,0,0,0|2,0,0]=4 1616 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [1,1,0,0,0,0|2,0,0]=4 1617 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [1,1,0,0,0,0|2,0,0]=4 1618 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [1,1,0,0,0,0|2,0,0]=4 1619 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [1,1,0,0,0,0|2,0,0]=4 1620 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [1,1,0,0,0,0|2,0,0]=4 1621 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [1,1,0,0,0,0|2,0,0]=4 1622 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [1,1,0,0,0,0|2,0,0]=4 1623 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [1,1,0,0,0,0|1,0,1]=4 1624 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [1,1,0,0,0,0|1,0,1]=4 1625 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [1,1,0,0,0,0|1,0,1]=4 1626 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [1,1,0,0,0,0|1,0,1]=4 1627 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [1,1,0,0,0,0|1,0,1]=4 1628 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [1,1,0,0,0,0|1,0,1]=4 1629 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [1,1,0,0,0,0|1,0,1]=4 1630 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [1,1,0,0,0,0|1,0,1]=4 1631 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [1,1,0,0,0,0|1,0,1]=4 1632 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [1,1,0,0,0,0|1,0,1]=4 1633 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [1,1,0,0,0,0|1,0,1]=4 1634 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [1,1,0,0,0,0|1,0,1]=4 1635 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [1,1,0,0,0,0|2,0,0]=4 1636 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [1,1,0,0,0,0|2,0,0]=4 1637 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [1,1,0,0,0,0|2,0,0]=4 1638 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [1,1,0,0,0,0|2,0,0]=4 1639 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 1640 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 1641 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 1642 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [1,1,0,0,0,0|2,0,0]=4 1643 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 1644 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 1645 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 1646 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [1,1,0,0,0,0|2,0,0]=4 1647 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 1648 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 1649 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 1650 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [1,1,0,0,0,0|2,0,0]=4 1651 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 1652 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 1653 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 1654 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [1,1,0,0,0,0|2,0,0]=4 1655 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [1,1,0,0,0,0|2,0,0]=4 1656 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [1,1,0,0,0,0|2,0,0]=4 1657 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [1,1,0,0,0,0|1,0,1]=4 1658 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [1,1,0,0,0,0|1,0,1]=4 1659 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [1,1,0,0,0,0|0,0,1]=3 1660 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [1,1,0,0,0,0|1,0,1]=4 1661 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [1,1,0,0,0,0|1,0,1]=4 1662 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [1,1,0,0,0,0|1,0,1]=4 1663 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [1,1,0,0,0,0|1,0,1]=4 1664 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [1,1,0,0,0,0|1,0,1]=4 1665 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [1,1,0,0,0,0|1,0,1]=4 1666 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [1,1,0,0,0,0|1,0,1]=4 1667 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [1,1,0,0,0,0|1,0,1]=4 1668 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [1,1,0,0,0,0|1,0,1]=4 1669 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [1,1,0,0,0,0|1,0,1]=4 1670 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [1,1,0,0,0,0|1,0,1]=4 1671 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [1,1,0,0,0,0|1,0,1]=4 1672 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [1,1,0,0,0,0|0,0,1]=3 1673 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [1,1,0,0,0,0|0,0,1]=3 1674 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [1,1,0,0,0,0|0,0,1]=3 1675 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [1,1,0,0,0,0|0,0,1]=3 1676 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [1,1,0,0,0,0|0,0,1]=3 1677 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [1,1,0,0,0,0|1,0,1]=4 1678 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [1,1,0,0,0,0|1,0,1]=4 1679 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [1,1,0,0,0,0|1,0,1]=4 1680 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [1,1,0,0,0,0|1,0,1]=4 1681 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [1,1,0,0,0,0|1,0,1]=4 1682 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [1,1,0,0,0,0|1,0,1]=4 1683 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [1,1,0,0,0,0|1,0,1]=4 1684 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [1,1,0,0,0,0|1,0,1]=4 1685 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [1,1,0,0,0,0|1,0,1]=4 1686 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [1,1,0,0,0,0|1,0,1]=4 1687 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [1,1,0,0,0,0|1,0,1]=4 1688 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [1,1,0,0,0,0|1,0,1]=4 1689 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [1,1,0,0,0,0|1,0,1]=4 1690 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [1,1,0,0,0,0|1,0,1]=4 1691 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [1,1,0,0,0,0|1,0,1]=4 1692 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [1,1,0,0,0,0|1,0,1]=4 1693 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [1,1,0,0,0,0|1,0,1]=4 1694 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [1,1,0,0,0,0|1,0,1]=4 1695 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [1,1,0,0,0,0|1,0,1]=4 1696 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [1,1,0,0,0,0|1,0,1]=4 1697 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [1,1,0,0,0,0|1,0,1]=4 1698 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [1,1,0,0,0,0|1,0,1]=4 1699 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [1,1,0,0,0,0|1,0,1]=4 1700 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [1,1,0,0,0,0|1,0,1]=4 1701 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [1,1,0,0,0,0|1,0,1]=4 1702 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [1,1,0,0,0,0|1,0,1]=4 1703 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [1,1,0,0,0,0|1,0,0]=3 1704 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [1,1,0,0,0,0|1,0,0]=3 1705 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [1,1,0,0,0,0|1,0,0]=3 1706 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [1,1,0,0,0,0|1,0,0]=3 1707 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [1,1,0,0,0,0|1,0,0]=3 1708 B12R1.371 C=CC(=O)Cc1cccnc1Br 1458a_100000185746_100010140945 [1,1,0,0,0,0|2,0,0]=4 1709 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.371 C=CC(=O)Cc1cccnc1Cl 1458a_100000185746_100000045678 [1,1,0,0,0,0|2,0,0]=4 1711 B12R1.371 C=CC(=O)Cc1cccnc1F 1458a_100000185746_100000099810 [1,1,0,0,0,0|2,0,0]=4 1712 B12R1.371 C=CC(=O)Cc1ccncc1C 1458a_100000185746_100020672808 [1,1,0,0,0,0|2,0,0]=4 1713 B12R1.371 C=CC(=O)Cc1ccncc1Cl 1458a_100000185746_100000763264 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.371 C=CC(=O)Cc1cnccc1C 1458a_100000185746_100000690890 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.371 C=CC(=O)Cc1ncccc1Br 1458a_100000185746_100025702911 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.371 C=CC(=O)Cc1ncccc1C 1458a_100000185746_100000696600 [1,1,0,0,0,0|2,0,0]=4 1717 B12R1.371 C=CC(=O)Cc1ncccc1Cl 1458a_100000185746_100000099807 [1,1,0,0,0,0|2,0,0]=4 1718 B12R1.371 C=CC(=O)Cc1ncccc1F 1458a_100000185746_100000104219 [1,1,0,0,0,0|2,0,0]=4 1719 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [1,1,0,0,0,0|2,0,0]=4 1722 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [1,1,0,0,0,0|2,0,0]=4 1723 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [1,1,0,0,0,0|2,0,0]=4 1724 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [1,1,0,0,0,0|2,0,0]=4 1725 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [1,1,0,0,0,0|2,0,0]=4 1726 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [1,1,0,0,0,0|2,0,0]=4 1727 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [1,1,0,0,0,0|2,0,0]=4 1728 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [1,1,0,0,0,0|2,0,0]=4 1729 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [1,1,0,0,0,0|1,0,1]=4 1730 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [1,1,0,0,0,0|1,0,1]=4 1731 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [1,1,0,0,0,0|1,0,1]=4 1732 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [1,1,0,0,0,0|1,0,1]=4 1733 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [1,1,0,0,0,0|1,0,1]=4 1734 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [1,1,0,0,0,0|1,0,1]=4 1735 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [1,1,0,0,0,0|1,0,1]=4 1736 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [1,1,0,0,0,0|1,0,1]=4 1737 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [1,1,0,0,0,0|1,0,1]=4 1738 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [1,1,0,0,0,0|1,0,1]=4 1739 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [1,1,0,0,0,0|1,0,1]=4 1740 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [1,1,0,0,0,0|2,0,0]=4 1741 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [1,1,0,0,0,0|2,0,0]=4 1742 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [1,1,0,0,0,0|2,0,0]=4 1743 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [1,1,0,0,0,0|2,0,0]=4 1744 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [1,1,0,0,0,0|2,0,0]=4 1745 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [1,1,0,0,0,0|2,0,0]=4 1746 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [1,1,0,0,0,0|2,0,0]=4 1747 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [1,1,0,0,0,0|2,0,0]=4 1748 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [1,1,0,0,0,0|2,0,0]=4 1749 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [1,1,0,0,0,0|2,0,0]=4 1750 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [1,1,0,0,0,0|2,0,0]=4 1751 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [1,1,0,0,0,0|2,0,0]=4 1752 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [1,1,0,0,0,0|2,0,0]=4 1753 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [1,1,0,0,0,0|2,0,0]=4 1754 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [1,1,0,0,0,0|2,0,0]=4 1755 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [1,1,0,0,0,0|2,0,0]=4 1756 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [1,1,0,0,0,0|2,0,0]=4 1757 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [1,1,0,0,0,0|2,0,0]=4 1758 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [1,1,0,0,0,0|2,0,0]=4 1759 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [1,1,0,0,0,0|2,0,0]=4 1760 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [1,1,0,0,0,0|2,0,0]=4 1761 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [1,1,0,0,0,0|2,0,0]=4 1763 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [1,1,0,0,0,0|1,0,1]=4 1764 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [1,1,0,0,0,0|0,0,1]=3 1765 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [1,1,0,0,0,0|1,0,1]=4 1766 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [1,1,0,0,0,0|1,0,1]=4 1767 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [1,1,0,0,0,0|1,0,1]=4 1768 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [1,1,0,0,0,0|1,0,1]=4 1769 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [1,1,0,0,0,0|1,0,1]=4 1770 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [1,1,0,0,0,0|1,0,1]=4 1771 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [1,1,0,0,0,0|1,0,1]=4 1773 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [1,1,0,0,0,0|1,0,1]=4 1774 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [1,1,0,0,0,0|1,0,1]=4 1775 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [1,1,0,0,0,0|1,0,1]=4 1776 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [1,1,0,0,0,0|1,0,1]=4 1777 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [1,1,0,0,0,0|0,0,1]=3 1778 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [1,1,0,0,0,0|0,0,1]=3 1779 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [1,1,0,0,0,0|0,0,1]=3 1780 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [1,1,0,0,0,0|0,0,1]=3 1781 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [1,1,0,0,0,0|1,0,1]=4 1782 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [1,1,0,0,0,0|1,0,1]=4 1783 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [1,1,0,0,0,0|1,0,1]=4 1784 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [1,1,0,0,0,0|1,0,1]=4 1785 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [1,1,0,0,0,0|1,0,1]=4 1786 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [1,1,0,0,0,0|1,0,1]=4 1787 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [1,1,0,0,0,0|1,0,1]=4 1788 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [1,1,0,0,0,0|1,0,1]=4 1789 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [1,1,0,0,0,0|1,0,1]=4 1790 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [1,1,0,0,0,0|1,0,1]=4 1791 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [1,1,0,0,0,0|1,0,1]=4 1792 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [1,1,0,0,0,0|1,0,1]=4 1793 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [1,1,0,0,0,0|1,0,1]=4 1794 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [1,1,0,0,0,0|1,0,1]=4 1795 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,1,0,0,0,0|1,0,1]=4 1796 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,1,0,0,0,0|1,0,1]=4 1797 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,1,0,0,0,0|1,0,1]=4 1798 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,1,0,0,0,0|1,0,1]=4 1799 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,1,0,0,0,0|1,0,1]=4 1801 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,1,0,0,0,0|1,0,1]=4 1802 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,1,0,0,0,0|1,0,1]=4 1803 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|1,0,1]=4 1804 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1805 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,1,0,0,0,0|1,0,1]=4 1806 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,1,0,0,0,0|1,0,1]=4 1807 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,1,0,0,0,0|1,0,1]=4 1808 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,1,0,0,0,0|1,0,1]=4 1809 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,1,0,0,0,0|1,0,1]=4 1810 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|1,0,1]=4 1811 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|1,0,1]=4 1812 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|1,0,1]=4 1813 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|2,0,0]=4 1834 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|2,0,0]=4 1835 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,1,0,0,0,0|1,0,1]=4 1837 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1838 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,1,0,0,0,0|1,0,1]=4 1839 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,1,0,0,0,0|1,0,1]=4 1840 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,1,0,0,0,0|1,0,1]=4 1841 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,1,0,0,0,0|1,0,1]=4 1842 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,1,0,0,0,0|1,0,1]=4 1843 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,1,0,0,0,0|1,0,1]=4 1844 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,1,0,0,0,0|1,0,1]=4 1845 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,1,0,0,0,0|1,0,1]=4 1846 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,1,0,0,0,0|1,0,1]=4 1847 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|1,0,1]=4 1848 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [1,1,0,0,0,0|1,0,1]=4 1849 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [1,1,0,0,0,0|1,0,1]=4 1850 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [1,1,0,0,0,0|2,0,0]=4 1851 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,1,0,0,0,0|1,0,1]=4 1853 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,1,0,0,0,0|1,0,1]=4 1854 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,1,0,0,0,0|1,0,1]=4 1855 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1858 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1859 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,1,0,0,0,0|1,0,1]=4 1860 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,1,0,0,0,0|1,0,1]=4 1861 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,1,0,0,0,0|1,0,1]=4 1862 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,1,0,0,0,0|1,0,1]=4 1863 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,1,0,0,0,0|1,0,1]=4 1864 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,1,0,0,0,0|1,0,1]=4 1865 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,1,0,0,0,0|1,0,1]=4 1872 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,1,0,0,0,0|1,0,1]=4 1873 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,1,0,0,0,0|1,0,1]=4 1874 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,1,0,0,0,0|1,0,1]=4 1875 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,1,0,0,0,0|1,0,1]=4 1876 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,1,0,0,0,0|1,0,1]=4 1877 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,1,0,0,0,0|1,0,1]=4 1878 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|0,0,1]=3 1879 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [1,1,0,0,0,0|1,0,1]=4 1880 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [1,1,0,0,0,0|1,0,1]=4 1881 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [1,1,0,0,0,0|1,0,1]=4 1882 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1883 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1884 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [1,1,0,0,0,0|2,0,0]=4 1890 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [1,1,0,0,0,0|2,0,0]=4 1891 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,1,0,0,0,0|1,0,1]=4 1892 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,1,0,0,0,0|1,0,1]=4 1893 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|1,0,1]=4 1894 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|1,0,1]=4 1895 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|1,0,1]=4 1896 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|1,0,1]=4 1897 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|1,0,1]=4 1898 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|1,0,1]=4 1903 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,1,0,0,0,0|1,0,1]=4 1904 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|1,0,1]=4 1905 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,1,0,0,0,0|1,0,1]=4 1906 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,1,0,0,0,0|1,0,1]=4 1907 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,1,0,0,0,0|1,0,1]=4 1908 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,1,0,0,0,0|1,0,1]=4 1909 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,1,0,0,0,0|1,0,1]=4 1910 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [1,1,0,0,0,0|1,0,1]=4 1911 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [1,1,0,0,0,0|1,0,1]=4 1912 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,1,0,0,0,0|1,0,1]=4 1913 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,1,0,0,0,0|1,0,1]=4 1914 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [1,1,0,0,0,0|1,0,1]=4 1915 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [1,1,0,0,0,0|1,0,1]=4 1916 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [1,1,0,0,0,0|1,0,1]=4 1917 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [1,1,0,0,0,0|1,0,1]=4 1918 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [1,1,0,0,0,0|1,0,1]=4 1919 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,1,0,0,0,0|1,0,1]=4 1920 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,1,0,0,0,0|1,0,1]=4 1921 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [1,1,0,0,0,0|2,0,0]=4 1922 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [1,1,0,0,0,0|2,0,0]=4 1924 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,1,0,0,0,0|2,0,0]=4 1927 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,1,0,0,0,0|1,0,1]=4 1945 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,1,0,0,0,0|1,0,1]=4 1946 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,1,0,0,0,0|1,0,1]=4 1947 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,1,0,0,0,0|1,0,1]=4 1948 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,1,0,0,0,0|1,0,1]=4 1949 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,1,0,0,0,0|1,0,1]=4 1950 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [1,1,0,0,0,0|1,0,1]=4 1951 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [1,1,0,0,0,0|1,0,1]=4 1952 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [1,1,0,0,0,0|1,0,1]=4 1953 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [1,1,0,0,0,0|1,0,1]=4 1954 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,1,0,0,0,0|1,0,1]=4 1955 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,1,0,0,0,0|1,0,1]=4 1956 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [1,1,0,0,0,0|1,0,1]=4 1957 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [1,1,0,0,0,0|1,0,1]=4 1958 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [1,1,0,0,0,0|1,0,1]=4 1959 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [1,1,0,0,0,0|1,0,1]=4 1960 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [1,1,0,0,0,0|1,0,1]=4 1961 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,1,0,0,0,0|1,0,1]=4 1962 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,1,0,0,0,0|1,0,1]=4 1963 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,1,0,0,0,0|1,0,1]=4 1964 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,1,0,0,0,0|1,0,1]=4 1965 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,1,0,0,0,0|1,0,1]=4 1966 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,1,0,0,0,0|1,0,1]=4 1967 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,1,0,0,0,0|1,0,1]=4 1968 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,1,0,0,0,0|1,0,1]=4 1969 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,1,0,0,0,0|1,0,1]=4 1970 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,1,0,0,0,0|1,0,1]=4 1971 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,1,0,0,0,0|1,0,1]=4 1972 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,1,0,0,0,0|2,0,0]=4 1982 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [1,1,0,0,0,0|1,0,1]=4 1996 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,1,0,0,0,0|1,0,1]=4 1997 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,1,0,0,0,0|1,0,1]=4 1998 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [1,1,0,0,0,0|1,0,1]=4 1999 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [1,1,0,0,0,0|1,0,1]=4 2000 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [1,1,0,0,0,0|1,0,1]=4 2001 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [1,1,0,0,0,0|1,0,1]=4 2002 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,1,0,0,0,0|1,0,1]=4 2003 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2004 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,1,0,0,0,0|1,0,1]=4 2005 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,1,0,0,0,0|1,0,1]=4 2006 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,1,0,0,0,0|1,0,1]=4 2007 B12R1.108 CNC(=O)C(=O)Cc1ccsc1 1458a_100011218921_100011233845 [0,1,0,0,1,0|2,0,0]=4 2008 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,1,0|1,0,0]=3 2009 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,1,0|1,0,1]=4 2010 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,1,0|1,0,1]=4 2011 B14R1.337 C=C(C)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000748629 [0,1,0,0,0,1|2,0,0]=4 2012 B14R1.337 C=C(C)CC(=O)Cc1ccccc1C 1458a_100000212180_100000748629 [0,1,0,0,0,1|2,0,0]=4 2013 B14R1.337 C=C(C)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000748629 [0,1,0,0,0,1|2,0,0]=4 2014 B14R1.337 C=C(C)CC(=O)Cc1ccccc1F 1458a_100000212012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2015 B14R1.337 C=C(C)CC(=O)Cc1ccccc1I 1458a_100000036491_100000748629 [0,1,0,0,0,1|2,0,0]=4 2016 B14R1.337 C=C(C)CC(=O)Cc1ccccc1O 1458a_100000743006_100000748629 [0,1,0,0,0,1|2,0,0]=4 2017 B14R1.337 C=C(F)CC(=O)Cc1ccccc1Br 1458a_100000751119_100009893438 [0,1,0,0,0,1|2,0,0]=4 2018 B14R1.337 C=C(F)CC(=O)Cc1ccccc1C 1458a_100000212180_100009893438 [0,1,0,0,0,1|2,0,0]=4 2019 B14R1.337 C=C(F)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100009893438 [0,1,0,0,0,1|2,0,0]=4 2020 B14R1.337 C=C(F)CC(=O)Cc1ccccc1F 1458a_100000212012_100009893438 [0,1,0,0,0,1|2,0,0]=4 2021 B14R1.337 C=C(F)CC(=O)Cc1ccccc1I 1458a_100000036491_100009893438 [0,1,0,0,0,1|2,0,0]=4 2022 B14R1.337 C=C(F)CC(=O)Cc1ccccc1O 1458a_100000743006_100009893438 [0,1,0,0,0,1|2,0,0]=4 2023 B14R1.337 CC(=CC(=O)Cc1ccccc1Br)C 1458a_100000211388_100000184730 [0,1,0,0,0,1|2,0,0]=4 2024 B14R1.337 CC(=CC(=O)Cc1ccccc1Br)Cl 1458a_200042562850_100000184730 [0,1,0,0,0,1|2,0,0]=4 2025 B14R1.337 CC(=CC(=O)Cc1ccccc1Br)I 1458a_100025716642_100000184730 [0,1,0,0,0,1|2,0,0]=4 2026 B14R1.337 CC(=CC(=O)Cc1ccccc1C)C 1458a_100000211388_100000211839 [0,1,0,0,0,1|2,0,0]=4 2027 B14R1.337 CC(=CC(=O)Cc1ccccc1C)Cl 1458a_200042562850_100000211839 [0,1,0,0,0,1|2,0,0]=4 2028 B14R1.337 CC(=CC(=O)Cc1ccccc1C)I 1458a_100025716642_100000211839 [0,1,0,0,0,1|2,0,0]=4 2029 B14R1.337 CC(=CC(=O)Cc1ccccc1Cl)C 1458a_100000211388_100000187162 [0,1,0,0,0,1|2,0,0]=4 2030 B14R1.337 CC(=CC(=O)Cc1ccccc1Cl)Cl 1458a_200042562850_100000187162 [0,1,0,0,0,1|2,0,0]=4 2031 B14R1.337 CC(=CC(=O)Cc1ccccc1Cl)I 1458a_100025716642_100000187162 [0,1,0,0,0,1|2,0,0]=4 2032 B14R1.337 CC(=CC(=O)Cc1ccccc1F)C 1458a_100000211388_100000187165 [0,1,0,0,0,1|2,0,0]=4 2033 B14R1.337 CC(=CC(=O)Cc1ccccc1F)Cl 1458a_200042562850_100000187165 [0,1,0,0,0,1|2,0,0]=4 2034 B14R1.337 CC(=CC(=O)Cc1ccccc1F)I 1458a_100025716642_100000187165 [0,1,0,0,0,1|2,0,0]=4 2035 B14R1.337 CC(=CC(=O)Cc1ccccc1I)C 1458a_100000211388_100011216222 [0,1,0,0,0,1|2,0,0]=4 2036 B14R1.337 CC(=CC(=O)Cc1ccccc1I)Cl 1458a_200042562850_100011216222 [0,1,0,0,0,1|2,0,0]=4 2037 B14R1.337 CC(=CC(=O)Cc1ccccc1I)I 1458a_100025716642_100011216222 [0,1,0,0,0,1|2,0,0]=4 2038 B14R1.337 CC(=O)CC(=O)Cc1ccccc1Br 1458a_100000070787_100000700504 [0,1,0,0,0,1|1,0,0]=3 2039 B14R1.337 CC(=O)CC(=O)Cc1ccccc1C 1458a_100000070787_100011223134 [0,1,0,0,0,1|1,0,0]=3 2040 B14R1.337 CC(=O)CC(=O)Nc1ccccc1Br 1458a_100000070787_100000182372 [0,1,0,0,0,1|2,0,0]=4 2041 B14R1.337 CC(=O)CC(=O)Nc1ccccc1C 1458a_100000070787_100000183529 [0,1,0,0,0,1|2,0,0]=4 2042 B14R1.337 CC(=O)CC(=O)Nc1ccccc1Cl 1458a_100000070787_100000182448 [0,1,0,0,0,1|2,0,0]=4 2043 B14R1.337 CC(=O)CC(=O)Nc1ccccc1F 1458a_100000070787_100000182988 [0,1,0,0,0,1|2,0,0]=4 2044 B14R1.337 CC(=O)CC(=O)Nc1ccccc1I 1458a_100000070787_100000180142 [0,1,0,0,0,1|2,0,0]=4 2045 B14R1.337 CC(=O)CC(=O)Nc1ccccc1O 1458a_100000070787_100000014494 [0,1,0,0,0,1|2,0,0]=4 2046 B14R1.337 CC(=O)CC(=O)Nc1ccccc1O 271570a_203496583355_200000187717 [0,1,0,0,0,1|2,0,0]=4 2047 B14R1.337 CC(O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100011218427 [0,1,0,0,0,1|1,0,1]=4 2048 B14R1.337 CC(O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100011218427 [0,1,0,0,0,1|1,0,1]=4 2049 B14R1.337 CC(O)CC(=O)Cc1ccccc1F 1458a_100000212012_100011218427 [0,1,0,0,0,1|1,0,1]=4 2050 B14R1.337 CC(O)CC(=O)Cc1ccccc1I 1458a_100000036491_100011218427 [0,1,0,0,0,1|1,0,1]=4 2051 B14R1.337 CC(O)CC(=O)Cc1ccccc1O 1458a_100000743006_100011218427 [0,1,0,0,0,1|1,0,1]=4 2052 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200000210301 [0,1,0,0,0,1|2,0,0]=4 2053 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000746989_100000184730 [0,1,0,0,0,1|2,0,0]=4 2054 B14R1.337 CN(CC(=O)O)Cc1ccccc1Cl 269956a_100000746989_100000187162 [0,1,0,0,0,1|2,0,0]=4 2055 B14R1.337 CN(CC(=O)O)Cc1ccccc1F 269956a_100000746989_100000187165 [0,1,0,0,0,1|2,0,0]=4 2056 B14R1.337 CN(CC(=O)O)Cc1ccccc1I 269956a_100000746989_100011216222 [0,1,0,0,0,1|2,0,0]=4 2057 B14R1.337 C[C@@H](O)CC(=O)Cc1ccccc1Br 1458a_100011933948_100000184730 [0,1,0,0,0,1|1,0,1]=4 2058 B14R1.337 C[C@@H](O)CC(=O)Cc1ccccc1Cl 1458a_100011933948_100000187162 [0,1,0,0,0,1|1,0,1]=4 2059 B14R1.337 C[C@@H](O)CC(=O)Cc1ccccc1F 1458a_100011933948_100000187165 [0,1,0,0,0,1|1,0,1]=4 2060 B14R1.337 C[C@@H](O)CC(=O)Cc1ccccc1I 1458a_100011933948_100011216222 [0,1,0,0,0,1|1,0,1]=4 2061 B14R1.337 Cc1ccccc1CC(=O)C=C(Cl)Cl 1458a_100000137448_100000211839 [0,1,0,0,0,1|2,0,0]=4 2062 B14R1.337 Cc1ccccc1CC(=O)CC(=O)N 1458a_100000212180_100000187820 [0,1,0,0,0,1|1,0,0]=3 2063 B14R1.337 Cc1ccccc1CC(=O)CC(=O)N 1458a_100134613110_100000211839 [0,1,0,0,0,1|1,0,0]=3 2064 B14R1.337 Cc1ccccc1CC(=O)CC(=O)[O-] 1458a_100000212180_100020667443 [0,1,0,0,0,1|0,0,1]=3 2065 B14R1.337 Cc1ccccc1CC(=O)CC(C)O 1458a_100000212180_100011218427 [0,1,0,0,0,1|1,0,1]=4 2066 B14R1.337 Cc1ccccc1CC(=O)C[C@@H](C)O 1458a_100011933948_100000211839 [0,1,0,0,0,1|1,0,1]=4 2067 B14R1.337 Cc1ccccc1CC(=O)C[N+](=O)[O-] 1458a_100000212180_100000761209 [0,1,0,0,0,1|1,0,1]=4 2068 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_100000746989_100000211750 [0,1,0,0,0,1|2,0,0]=4 2069 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_200000743881_200000210301 [0,1,0,0,0,1|2,0,0]=4 2070 B14R1.337 Cc1ccccc1CN([13CH3])CC(=O)O 269956a_200000743881_200025704644 [0,1,0,0,0,1|2,0,0]=4 2071 B14R1.337 Cc1ccccc1NC(=O)CC(=O)N 22a_100015192222_100134613110 [0,1,0,0,0,1|2,0,0]=4 2072 B14R1.337 Cc1ccccc1NC(=O)CC(=O)N 527a_100015192222_100134613110 [0,1,0,0,0,1|2,0,0]=4 2073 B14R1.337 Cc1cccnc1CC(=O)CC(=O)N 1458a_100134613110_100000696600 [0,1,0,0,0,1|2,0,0]=4 2074 B14R1.337 Cc1cccnc1CC(=O)CC(=O)N 1458a_200000722269_100000187820 [0,1,0,0,0,1|2,0,0]=4 2075 B14R1.337 Cc1cccnc1CC(=O)CC(=O)[O-] 1458a_200000722269_100020667443 [0,1,0,0,0,1|1,0,1]=4 2076 B14R1.337 Cc1ccncc1CC(=O)CC(=O)N 1458a_100134613110_100000690890 [0,1,0,0,0,1|2,0,0]=4 2077 B14R1.337 Cc1cnccc1CC(=O)CC(=O)N 1458a_100134613110_100020672808 [0,1,0,0,0,1|2,0,0]=4 2078 B14R1.337 Cc1ncccc1CC(=O)CC(=O)N 1458a_100134613110_100000732876 [0,1,0,0,0,1|2,0,0]=4 2079 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000187820 [0,1,0,0,0,1|1,0,0]=3 2080 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Br 1458a_100134613110_100000184730 [0,1,0,0,0,1|1,0,0]=3 2081 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000187820 [0,1,0,0,0,1|1,0,0]=3 2082 B14R1.337 NC(=O)CC(=O)Cc1ccccc1Cl 1458a_100134613110_100000187162 [0,1,0,0,0,1|1,0,0]=3 2083 B14R1.337 NC(=O)CC(=O)Cc1ccccc1F 1458a_100000212012_100000187820 [0,1,0,0,0,1|1,0,0]=3 2084 B14R1.337 NC(=O)CC(=O)Cc1ccccc1F 1458a_100134613110_100000187165 [0,1,0,0,0,1|1,0,0]=3 2085 B14R1.337 NC(=O)CC(=O)Cc1ccccc1I 1458a_100000036491_100000187820 [0,1,0,0,0,1|1,0,0]=3 2086 B14R1.337 NC(=O)CC(=O)Cc1ccccc1I 1458a_100134613110_100011216222 [0,1,0,0,0,1|1,0,0]=3 2087 B14R1.337 NC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000187820 [0,1,0,0,0,1|1,0,0]=3 2088 B14R1.337 NC(=O)CC(=O)Cc1cccnc1Br 1458a_100134613110_100010140945 [0,1,0,0,0,1|2,0,0]=4 2089 B14R1.337 NC(=O)CC(=O)Cc1cccnc1Cl 1458a_100000093521_100000187820 [0,1,0,0,0,1|2,0,0]=4 2090 B14R1.337 NC(=O)CC(=O)Cc1cccnc1Cl 1458a_100134613110_100000045678 [0,1,0,0,0,1|2,0,0]=4 2091 B14R1.337 NC(=O)CC(=O)Cc1cccnc1F 1458a_100134613110_100000099810 [0,1,0,0,0,1|2,0,0]=4 2092 B14R1.337 NC(=O)CC(=O)Cc1ccncc1Cl 1458a_100134613110_100000763264 [0,1,0,0,0,1|2,0,0]=4 2093 B14R1.337 NC(=O)CC(=O)Cc1ncccc1Br 1458a_100134613110_100025702911 [0,1,0,0,0,1|2,0,0]=4 2094 B14R1.337 NC(=O)CC(=O)Cc1ncccc1Br 1458a_200012357574_100000187820 [0,1,0,0,0,1|2,0,0]=4 2095 B14R1.337 NC(=O)CC(=O)Cc1ncccc1Cl 1458a_100011998755_100000187820 [0,1,0,0,0,1|2,0,0]=4 2096 B14R1.337 NC(=O)CC(=O)Cc1ncccc1Cl 1458a_100134613110_100000099807 [0,1,0,0,0,1|2,0,0]=4 2097 B14R1.337 NC(=O)CC(=O)Cc1ncccc1F 1458a_100134613110_100000104219 [0,1,0,0,0,1|2,0,0]=4 2098 B14R1.337 NC(=O)CC(=O)Cc1ncccc1O 1458a_100134613110_200020655725 [0,1,0,0,0,1|2,0,0]=4 2099 B14R1.337 NC(=O)CC(=O)Cn1ccccc1=O 1458a_100000189665_100000187820 [0,1,0,0,0,1|2,0,0]=4 2100 B14R1.337 NC(=O)CC(=O)Nc1ccccc1Cl 22a_100000185783_100134613110 [0,1,0,0,0,1|2,0,0]=4 2101 B14R1.337 NC(=O)CC(=O)Nc1ccccc1Cl 527a_100000185783_100134613110 [0,1,0,0,0,1|2,0,0]=4 2102 B14R1.337 NC(=O)CC(=O)Nc1ccccc1F 22a_100000210422_100134613110 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.337 NC(=O)CC(=O)Nc1ccccc1F 527a_100000210422_100134613110 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.337 NC(=O)CC(=O)Nc1ccccc1O 22a_100000185747_100134613110 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.337 NC(=O)CC(=O)Nc1ccccc1O 527a_100000185747_100134613110 [0,1,0,0,0,1|2,0,0]=4 2106 B14R1.337 O=C(C=C(Cl)Cl)Cc1ccccc1Br 1458a_100000137448_100000184730 [0,1,0,0,0,1|2,0,0]=4 2107 B14R1.337 O=C(C=C(Cl)Cl)Cc1ccccc1Cl 1458a_100000137448_100000187162 [0,1,0,0,0,1|2,0,0]=4 2108 B14R1.337 O=C(C=C(Cl)Cl)Cc1ccccc1F 1458a_100000137448_100000187165 [0,1,0,0,0,1|2,0,0]=4 2109 B14R1.337 O=C(C=C(Cl)Cl)Cc1ccccc1I 1458a_100000137448_100011216222 [0,1,0,0,0,1|2,0,0]=4 2110 B14R1.337 O=C(Cc1ccccc1Br)C[N+](=O)[O-] 1458a_100000751119_100000761209 [0,1,0,0,0,1|1,0,1]=4 2111 B14R1.337 O=C(Cc1ccccc1Cl)C[N+](=O)[O-] 1458a_100000183793_100000761209 [0,1,0,0,0,1|1,0,1]=4 2112 B14R1.337 O=C(Cc1ccccc1F)C[N+](=O)[O-] 1458a_100000212012_100000761209 [0,1,0,0,0,1|1,0,1]=4 2113 B14R1.337 O=C(Cc1ccccc1I)C[N+](=O)[O-] 1458a_100000036491_100000761209 [0,1,0,0,0,1|1,0,1]=4 2114 B14R1.337 O=C(Cc1ccccc1O)C[N+](=O)[O-] 1458a_100000743006_100000761209 [0,1,0,0,0,1|1,0,1]=4 2115 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1Br 1458a_100000751119_100020667443 [0,1,0,0,0,1|0,0,1]=3 2116 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1Cl 1458a_100000183793_100020667443 [0,1,0,0,0,1|0,0,1]=3 2117 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1F 1458a_100000212012_100020667443 [0,1,0,0,0,1|0,0,1]=3 2118 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1I 1458a_100000036491_100020667443 [0,1,0,0,0,1|0,0,1]=3 2119 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1O 1458a_100000743006_100020667443 [0,1,0,0,0,1|0,0,1]=3 2120 B14R1.337 O=C([O-])CC(=O)Cc1cccnc1Cl 1458a_100000093521_100020667443 [0,1,0,0,0,1|1,0,1]=4 2121 B14R1.337 O=C([O-])CC(=O)Cc1ncccc1Br 1458a_200012357574_100020667443 [0,1,0,0,0,1|1,0,1]=4 2122 B14R1.337 O=C([O-])CC(=O)Cc1ncccc1Cl 1458a_100011998755_100020667443 [0,1,0,0,0,1|1,0,1]=4 2123 B14R1.337 O=C([O-])CC(=O)Cn1ccccc1=O 1458a_100000189665_100020667443 [0,1,0,0,0,1|1,0,1]=4 2124 B14R1.337 [13CH3]N(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200025704644 [0,1,0,0,0,1|2,0,0]=4 2125 B14R1.417 C=C(C(=O)CC(=O)N)c1ccccc1 1458a_100000065200_100000187820 [0,1,0,0,0,1|1,0,1]=4 2126 B14R1.417 C=C(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000065200_100020667443 [0,1,0,0,0,1|0,0,2]=4 2127 B14R1.417 C=C(C)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000748629 [0,1,0,0,0,1|2,0,0]=4 2128 B14R1.417 C=C(C)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000748629 [0,1,0,0,0,1|2,0,0]=4 2129 B14R1.417 C=C(C)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000748629 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.417 C=C(F)CC(=O)C(F)c1ccccc1 1458a_100000698975_100009893438 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.417 C=C(F)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100009893438 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.417 C=C(F)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100009893438 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)C 1458a_100000211388_100000230085 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)Cl 1458a_200042562850_100000230085 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)I 1458a_100025716642_100000230085 [0,1,0,0,0,1|2,0,0]=4 2136 B14R1.417 CC(=O)CC(=O)N(C)c1ccccc1 1458a_100000070787_100000183487 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.417 CC(C(=O)C=C(Cl)Cl)c1ccccc1 1458a_100000137448_100000230085 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.417 CC(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000230085 [0,1,0,0,0,1|1,0,0]=3 2139 B14R1.417 CC(C(=O)CC(=O)N)c1ccccn1 1458a_100000722050_100000187820 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.417 CC(C(=O)CC(=O)[O-])c1ccccn1 1458a_100000722050_100020667443 [0,1,0,0,0,1|1,0,1]=4 2141 B14R1.417 CC(C(=O)C[C@@H](C)O)c1ccccc1 1458a_100011933948_100000230085 [0,1,0,0,0,1|1,0,1]=4 2142 B14R1.417 CC(O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100011218427 [0,1,0,0,0,1|1,0,1]=4 2143 B14R1.417 CC(O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100011218427 [0,1,0,0,0,1|1,0,1]=4 2144 B14R1.417 CC(O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011218427 [0,1,0,0,0,1|1,0,1]=4 2145 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.417 CN(C(=O)CC(=O)N)c1ccccc1 22a_100000210012_100134613110 [0,1,0,0,0,1|2,0,0]=4 2147 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,1,0,0,0,1|2,0,0]=4 2148 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,1,0,0,0,1|2,0,0]=4 2149 B14R1.417 C[C@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000751047_100000187820 [0,1,0,0,0,1|1,0,0]=3 2150 B14R1.417 C[C@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000751047_100020667443 [0,1,0,0,0,1|0,0,1]=3 2151 B14R1.417 C[C@H](C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100000751047_100000761209 [0,1,0,0,0,1|1,0,1]=4 2152 B14R1.417 NC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000187820 [0,1,0,0,0,1|1,0,0]=3 2153 B14R1.417 NC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000187820 [0,1,0,0,0,1|1,0,0]=3 2154 B14R1.417 O=C(C[N+](=O)[O-])C(F)c1ccccc1 1458a_100000698975_100000761209 [0,1,0,0,0,1|1,0,1]=4 2155 B14R1.417 O=C(C[N+](=O)[O-])[C@H](O)c1ccccc1 1458a_100000684486_100000761209 [0,1,0,0,0,1|1,0,1]=4 2156 B14R1.417 O=C([O-])CC(=O)C(F)c1ccccc1 1458a_100000698975_100020667443 [0,1,0,0,0,1|0,0,1]=3 2157 B14R1.417 O=C([O-])CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100020667443 [0,1,0,0,0,1|0,0,1]=3 2158 B14R1.425 CC(=O)C(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000179758 [0,1,0,0,0,1|2,0,0]=4 2159 B14R1.425 CC(=O)C(C)C(=O)Cc1ccccn1 1458a_100000233486_100000179758 [0,1,0,0,0,1|2,0,0]=4 2160 B14R1.425 CC(=O)C(C)C(=O)Cc1cccnc1 1458a_100000737805_100000179758 [0,1,0,0,0,1|2,0,0]=4 2161 B14R1.425 CC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000070787_100000183986 [0,1,0,0,0,1|2,0,0]=4 2162 B14R1.425 CC(=O)C(C)C(=O)Nc1ccccc1 1458a_100012277477_200000210301 [0,1,0,0,0,1|2,0,0]=4 2163 B14R1.425 CC(C(=O)N)C(=O)C[n+]1ccccc1 1458a_200000086051_100000702099 [0,1,0,0,0,1|2,0,0]=4 2164 B14R1.425 CC(C(=O)N)C(=O)Cc1ccccn1 1458a_100000233486_100000702099 [0,1,0,0,0,1|2,0,0]=4 2165 B14R1.425 CC(C(=O)N)C(=O)Cc1cccnc1 1458a_100000737805_100000702099 [0,1,0,0,0,1|2,0,0]=4 2166 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,1,0,0,0,1|2,0,0]=4 2167 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,1,0,0,0,1|2,0,0]=4 2168 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,1,0,0,0,1|2,0,0]=4 2169 B14R1.425 CC(C(=O)[13CH3])C(=O)Nc1ccccc1 1458a_100012277477_200025704644 [0,1,0,0,0,1|2,0,0]=4 2170 B14R1.425 NC(=O)C(F)C(=O)C[n+]1ccccc1 1458a_200000086051_100009813875 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.425 NC(=O)C(F)C(=O)Cc1ccccn1 1458a_100000233486_100009813875 [0,1,0,0,0,1|2,0,0]=4 2172 B14R1.425 NC(=O)C(F)C(=O)Cc1cccnc1 1458a_100000737805_100009813875 [0,1,0,0,0,1|2,0,0]=4 2173 B14R1.425 O=C([O-])C(F)C(=O)C[n+]1ccccc1 1458a_200000086051_100020610796 [0,1,0,0,0,1|1,0,1]=4 2174 B14R1.425 O=C([O-])C(F)C(=O)Cc1ccccn1 1458a_100000233486_100020610796 [0,1,0,0,0,1|1,0,1]=4 2175 B14R1.425 O=C([O-])C(F)C(=O)Cc1cccnc1 1458a_100000737805_100020610796 [0,1,0,0,0,1|1,0,1]=4 2176 B14R1.433 CC(C)(O)CC(=O)Cc1ccccc1 1458a_100000693243_100015291786 [0,1,0,0,0,1|1,0,1]=4 2177 B14R1.433 CS(=O)(=O)CC(=O)Cc1ccccc1 1458a_100000744497_100015291786 [0,1,0,0,0,1|1,0,1]=4 2178 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,1,0,0,0,1|1,0,1]=4 2181 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [0,1,0,0,0,1|2,0,0]=4 2182 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,1,0,0,0,1|1,0,1]=4 2183 B14R1.698 C=C(C)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000748629 [0,1,0,0,0,1|2,0,0]=4 2184 B14R1.698 C=C(C)CC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000748629 [0,1,0,0,0,1|2,0,0]=4 2185 B14R1.698 C=C(C)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000748629 [0,1,0,0,0,1|2,0,0]=4 2186 B14R1.698 C=C(C)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000748629 [0,1,0,0,0,1|2,0,0]=4 2187 B14R1.698 C=C(C)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000748629 [0,1,0,0,0,1|2,0,0]=4 2188 B14R1.698 C=C(C)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000748629 [0,1,0,0,0,1|2,0,0]=4 2189 B14R1.698 C=C(F)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100009893438 [0,1,0,0,0,1|2,0,0]=4 2190 B14R1.698 C=C(F)CC(=O)Cc1ccc(cc1)C 1458a_100000212244_100009893438 [0,1,0,0,0,1|2,0,0]=4 2191 B14R1.698 C=C(F)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100009893438 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.698 C=C(F)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100009893438 [0,1,0,0,0,1|2,0,0]=4 2193 B14R1.698 C=C(F)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100009893438 [0,1,0,0,0,1|2,0,0]=4 2194 B14R1.698 C=C(F)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100009893438 [0,1,0,0,0,1|2,0,0]=4 2195 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)Br)C 1458a_100000211388_100000189115 [0,1,0,0,0,1|2,0,0]=4 2196 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)Br)Cl 1458a_200042562850_100000189115 [0,1,0,0,0,1|2,0,0]=4 2197 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)Br)I 1458a_100025716642_100000189115 [0,1,0,0,0,1|2,0,0]=4 2198 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)C)C 1458a_100000211388_100000210814 [0,1,0,0,0,1|2,0,0]=4 2199 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)C)Cl 1458a_200042562850_100000210814 [0,1,0,0,0,1|2,0,0]=4 2200 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)C)I 1458a_100025716642_100000210814 [0,1,0,0,0,1|2,0,0]=4 2201 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)Cl)C 1458a_100000211388_100000694040 [0,1,0,0,0,1|2,0,0]=4 2202 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)Cl)Cl 1458a_200042562850_100000694040 [0,1,0,0,0,1|2,0,0]=4 2203 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)Cl)I 1458a_100025716642_100000694040 [0,1,0,0,0,1|2,0,0]=4 2204 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)F)C 1458a_100000211388_100000198546 [0,1,0,0,0,1|2,0,0]=4 2205 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)F)Cl 1458a_200042562850_100000198546 [0,1,0,0,0,1|2,0,0]=4 2206 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)F)I 1458a_100025716642_100000198546 [0,1,0,0,0,1|2,0,0]=4 2207 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)I)C 1458a_100000211388_100000189116 [0,1,0,0,0,1|2,0,0]=4 2208 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)I)Cl 1458a_200042562850_100000189116 [0,1,0,0,0,1|2,0,0]=4 2209 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)I)I 1458a_100025716642_100000189116 [0,1,0,0,0,1|2,0,0]=4 2210 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100000070787_100000183692 [0,1,0,0,0,1|2,0,0]=4 2211 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100011623802_200000210301 [0,1,0,0,0,1|2,0,0]=4 2212 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)C 1458a_100000070787_100000182914 [0,1,0,0,0,1|2,0,0]=4 2213 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Cl 1458a_100000070787_100000182960 [0,1,0,0,0,1|2,0,0]=4 2214 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)F 1458a_100000070787_100000181725 [0,1,0,0,0,1|2,0,0]=4 2215 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)F 1458a_200000189458_200000210301 [0,1,0,0,0,1|2,0,0]=4 2216 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)I 1458a_100000070787_100000183000 [0,1,0,0,0,1|2,0,0]=4 2217 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000070787_100000233757 [0,1,0,0,0,1|2,0,0]=4 2218 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000182854 [0,1,0,0,0,1|2,0,0]=4 2219 B14R1.698 CC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000070787_200010760497 [0,1,0,0,0,1|2,0,0]=4 2220 B14R1.698 CC(O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100011218427 [0,1,0,0,0,1|1,0,1]=4 2221 B14R1.698 CC(O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011218427 [0,1,0,0,0,1|1,0,1]=4 2222 B14R1.698 CC(O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100011218427 [0,1,0,0,0,1|1,0,1]=4 2223 B14R1.698 CC(O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100011218427 [0,1,0,0,0,1|1,0,1]=4 2224 B14R1.698 CC(O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011218427 [0,1,0,0,0,1|1,0,1]=4 2225 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [0,1,0,0,0,1|2,0,0]=4 2226 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [0,1,0,0,0,1|2,0,0]=4 2227 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [0,1,0,0,0,1|2,0,0]=4 2228 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [0,1,0,0,0,1|2,0,0]=4 2229 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [0,1,0,0,0,1|2,0,0]=4 2230 B14R1.698 C[C@@H](O)CC(=O)Cc1ccc(cc1)Br 1458a_100011933948_100000189115 [0,1,0,0,0,1|1,0,1]=4 2231 B14R1.698 C[C@@H](O)CC(=O)Cc1ccc(cc1)Cl 1458a_100011933948_100000694040 [0,1,0,0,0,1|1,0,1]=4 2232 B14R1.698 C[C@@H](O)CC(=O)Cc1ccc(cc1)F 1458a_100011933948_100000198546 [0,1,0,0,0,1|1,0,1]=4 2233 B14R1.698 C[C@@H](O)CC(=O)Cc1ccc(cc1)I 1458a_100011933948_100000189116 [0,1,0,0,0,1|1,0,1]=4 2234 B14R1.698 Cc1ccc(cc1)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210814 [0,1,0,0,0,1|2,0,0]=4 2235 B14R1.698 Cc1ccc(cc1)CC(=O)CC(=O)N 1458a_100000212244_100000187820 [0,1,0,0,0,1|1,0,0]=3 2236 B14R1.698 Cc1ccc(cc1)CC(=O)CC(=O)N 1458a_100134613110_100000210814 [0,1,0,0,0,1|1,0,0]=3 2237 B14R1.698 Cc1ccc(cc1)CC(=O)CC(=O)[O-] 1458a_100000212244_100020667443 [0,1,0,0,0,1|0,0,1]=3 2238 B14R1.698 Cc1ccc(cc1)CC(=O)CC(C)O 1458a_100000212244_100011218427 [0,1,0,0,0,1|1,0,1]=4 2239 B14R1.698 Cc1ccc(cc1)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210814 [0,1,0,0,0,1|1,0,1]=4 2240 B14R1.698 Cc1ccc(cc1)CC(=O)C[N+](=O)[O-] 1458a_100000212244_100000761209 [0,1,0,0,0,1|1,0,1]=4 2241 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [0,1,0,0,0,1|2,0,0]=4 2242 B14R1.698 Cc1ccc(cc1)NC(=O)CC(=O)N 22a_100000124888_100134613110 [0,1,0,0,0,1|2,0,0]=4 2243 B14R1.698 Cc1ccc(cc1)NC(=O)CC(=O)N 527a_100000124888_100134613110 [0,1,0,0,0,1|2,0,0]=4 2244 B14R1.698 Cc1ccc(cn1)CC(=O)CC(=O)N 1458a_100000740413_100000187820 [0,1,0,0,0,1|2,0,0]=4 2245 B14R1.698 Cc1ccc(cn1)CC(=O)CC(=O)N 1458a_100134613110_100016987292 [0,1,0,0,0,1|2,0,0]=4 2246 B14R1.698 Cc1ccc(cn1)CC(=O)CC(=O)[O-] 1458a_100000740413_100020667443 [0,1,0,0,0,1|1,0,1]=4 2247 B14R1.698 Cc1ccc(nc1)CC(=O)CC(=O)N 1458a_100025705728_100000187820 [0,1,0,0,0,1|2,0,0]=4 2248 B14R1.698 Cc1ccc(nc1)CC(=O)CC(=O)N 1458a_100134613110_100000691093 [0,1,0,0,0,1|2,0,0]=4 2249 B14R1.698 Cc1ccc(nc1)CC(=O)CC(=O)[O-] 1458a_100025705728_100020667443 [0,1,0,0,0,1|1,0,1]=4 2250 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000187820 [0,1,0,0,0,1|1,0,0]=3 2251 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100134613110_100000189115 [0,1,0,0,0,1|1,0,0]=3 2252 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000187820 [0,1,0,0,0,1|1,0,0]=3 2253 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100134613110_100000694040 [0,1,0,0,0,1|1,0,0]=3 2254 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000187820 [0,1,0,0,0,1|1,0,0]=3 2255 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100134613110_100000198546 [0,1,0,0,0,1|1,0,0]=3 2256 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000187820 [0,1,0,0,0,1|1,0,0]=3 2257 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100134613110_100000189116 [0,1,0,0,0,1|1,0,0]=3 2258 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000187820 [0,1,0,0,0,1|1,0,0]=3 2259 B14R1.698 NC(=O)CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000187820 [0,1,0,0,0,1|2,0,0]=4 2260 B14R1.698 NC(=O)CC(=O)Cc1ccc(cn1)Br 1458a_100134613110_100000702658 [0,1,0,0,0,1|2,0,0]=4 2261 B14R1.698 NC(=O)CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000187820 [0,1,0,0,0,1|2,0,0]=4 2262 B14R1.698 NC(=O)CC(=O)Cc1ccc(cn1)Cl 1458a_100134613110_100012066911 [0,1,0,0,0,1|2,0,0]=4 2263 B14R1.698 NC(=O)CC(=O)Cc1ccc(cn1)F 1458a_100134613110_100000703193 [0,1,0,0,0,1|2,0,0]=4 2264 B14R1.698 NC(=O)CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000187820 [0,1,0,0,0,1|2,0,0]=4 2265 B14R1.698 NC(=O)CC(=O)Cc1ccc(nc1)Br 1458a_100134613110_100009831999 [0,1,0,0,0,1|2,0,0]=4 2266 B14R1.698 NC(=O)CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000187820 [0,1,0,0,0,1|2,0,0]=4 2267 B14R1.698 NC(=O)CC(=O)Cc1ccc(nc1)Cl 1458a_100134613110_100000735431 [0,1,0,0,0,1|2,0,0]=4 2268 B14R1.698 NC(=O)CC(=O)Cc1ccc(nc1)F 1458a_100134613110_100009820150 [0,1,0,0,0,1|2,0,0]=4 2269 B14R1.698 NC(=O)CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000187820 [0,1,0,0,0,1|2,0,0]=4 2270 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100134613110 [0,1,0,0,0,1|2,0,0]=4 2271 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100134613110 [0,1,0,0,0,1|2,0,0]=4 2272 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100134613110 [0,1,0,0,0,1|2,0,0]=4 2273 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100134613110 [0,1,0,0,0,1|2,0,0]=4 2274 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)F 22a_100000185862_100134613110 [0,1,0,0,0,1|2,0,0]=4 2275 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)F 527a_100000185862_100134613110 [0,1,0,0,0,1|2,0,0]=4 2276 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)I 22a_100000185761_100134613110 [0,1,0,0,0,1|2,0,0]=4 2277 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)I 527a_100000185761_100134613110 [0,1,0,0,0,1|2,0,0]=4 2278 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)O 22a_100000185829_100134613110 [0,1,0,0,0,1|2,0,0]=4 2279 B14R1.698 O=C(C=C(Cl)Cl)Cc1ccc(cc1)Br 1458a_100000137448_100000189115 [0,1,0,0,0,1|2,0,0]=4 2280 B14R1.698 O=C(C=C(Cl)Cl)Cc1ccc(cc1)Cl 1458a_100000137448_100000694040 [0,1,0,0,0,1|2,0,0]=4 2281 B14R1.698 O=C(C=C(Cl)Cl)Cc1ccc(cc1)F 1458a_100000137448_100000198546 [0,1,0,0,0,1|2,0,0]=4 2282 B14R1.698 O=C(C=C(Cl)Cl)Cc1ccc(cc1)I 1458a_100000137448_100000189116 [0,1,0,0,0,1|2,0,0]=4 2283 B14R1.698 O=C(Cc1ccc(cc1)Br)C[N+](=O)[O-] 1458a_100000198978_100000761209 [0,1,0,0,0,1|1,0,1]=4 2284 B14R1.698 O=C(Cc1ccc(cc1)Cl)C[N+](=O)[O-] 1458a_100000211027_100000761209 [0,1,0,0,0,1|1,0,1]=4 2285 B14R1.698 O=C(Cc1ccc(cc1)F)C[N+](=O)[O-] 1458a_100000210951_100000761209 [0,1,0,0,0,1|1,0,1]=4 2286 B14R1.698 O=C(Cc1ccc(cc1)I)C[N+](=O)[O-] 1458a_100000688869_100000761209 [0,1,0,0,0,1|1,0,1]=4 2287 B14R1.698 O=C(Cc1ccc(cc1)O)C[N+](=O)[O-] 1458a_100000198540_100000761209 [0,1,0,0,0,1|1,0,1]=4 2288 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100020667443 [0,1,0,0,0,1|0,0,1]=3 2289 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100020667443 [0,1,0,0,0,1|0,0,1]=3 2290 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100020667443 [0,1,0,0,0,1|0,0,1]=3 2291 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100020667443 [0,1,0,0,0,1|0,0,1]=3 2292 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100020667443 [0,1,0,0,0,1|0,0,1]=3 2293 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100020667443 [0,1,0,0,0,1|1,0,1]=4 2294 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100020667443 [0,1,0,0,0,1|1,0,1]=4 2295 B14R1.698 O=C([O-])CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100020667443 [0,1,0,0,0,1|1,0,1]=4 2296 B14R1.698 O=C([O-])CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100020667443 [0,1,0,0,0,1|1,0,1]=4 2297 B14R1.698 O=C([O-])CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100020667443 [0,1,0,0,0,1|1,0,1]=4 2298 B14R1.698 [13CH3]C(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100011623802_200025704644 [0,1,0,0,0,1|2,0,0]=4 2299 B14R1.698 [13CH3]C(=O)CC(=O)Nc1ccc(cc1)F 1458a_200000189458_200025704644 [0,1,0,0,0,1|2,0,0]=4 2300 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [0,1,0,0,0,1|2,0,0]=4 2301 B14R1.743 C#CC(=O)CC(=O)Cc1ccccc1 1458a_100000211873_100000233483 [0,1,0,0,0,1|1,0,0]=3 2302 B14R1.743 C#CC(=O)CC(=O)Nc1ccccc1 1458a_100000211873_100000182850 [0,1,0,0,0,1|2,0,0]=4 2303 B14R1.743 C#CC(=O)CC(=O)Oc1ccccc1 1458a_100000211873_100009813826 [0,1,0,0,0,1|2,0,0]=4 2304 B14R1.743 C=CC(=O)CC(=O)Cc1ccccc1 1458a_100000185746_100000233483 [0,1,0,0,0,1|1,0,0]=3 2305 B14R1.743 C=CC(=O)CC(=O)Nc1ccccc1 1458a_100000185746_100000182850 [0,1,0,0,0,1|2,0,0]=4 2306 B14R1.743 C=CC(=O)CC(=O)Oc1ccccc1 1458a_100000185746_100009813826 [0,1,0,0,0,1|2,0,0]=4 2307 B14R1.743 CCC(=CC(=O)Cc1ccccc1)C 1458a_100020758463_100015291786 [0,1,0,0,0,1|2,0,0]=4 2308 B14R1.743 CCC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747405 [0,1,0,0,0,1|2,0,0]=4 2309 B14R1.743 CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210414_100000233483 [0,1,0,0,0,1|1,0,0]=3 2310 B14R1.743 CCC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747405 [0,1,0,0,0,1|2,0,0]=4 2311 B14R1.743 CCC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747405 [0,1,0,0,0,1|2,0,0]=4 2312 B14R1.743 CCC(=O)CC(=O)Nc1ccccc1 1458a_100000210414_100000182850 [0,1,0,0,0,1|2,0,0]=4 2313 B14R1.743 CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210414_100009813826 [0,1,0,0,0,1|2,0,0]=4 2314 B14R1.743 CCC(O)CC(=O)Cc1ccccc1 1458a_100011667805_100015291786 [0,1,0,0,0,1|1,0,1]=4 2315 B14R1.743 CNC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000183359 [0,1,0,0,0,1|2,0,0]=4 2316 B14R1.743 CNC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000183359 [0,1,0,0,0,1|2,0,0]=4 2317 B14R1.743 CNC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000183359 [0,1,0,0,0,1|2,0,0]=4 2318 B14R1.743 CNC(=O)CC(=O)Oc1ccccc1 240690a_100102657272_200000075362 [0,1,0,0,0,1|2,0,0]=4 2319 B14R1.743 COC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747449 [0,1,0,0,0,1|1,0,0]=3 2320 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [0,1,0,0,0,1|0,0,0]=2 2321 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000211351_100000721315 [0,1,0,0,0,1|1,0,0]=3 2322 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747449 [0,1,0,0,0,1|1,0,0]=3 2323 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000211351_100000733263 [0,1,0,0,0,1|1,0,0]=3 2324 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747449 [0,1,0,0,0,1|1,0,0]=3 2325 B14R1.743 COC(=O)CC(=O)Cc1cccnn1 1458a_100000211351_100016990269 [0,1,0,0,0,1|2,0,0]=4 2326 B14R1.743 COC(=O)CC(=O)Cc1ccncc1 1458a_100000211351_100000705612 [0,1,0,0,0,1|1,0,0]=3 2327 B14R1.743 COC(=O)CC(=O)Cc1cnccn1 1458a_100000211351_100016995436 [0,1,0,0,0,1|2,0,0]=4 2328 B14R1.743 COC(=O)CC(=O)Cc1cncnc1 1458a_100000211351_100015196519 [0,1,0,0,0,1|2,0,0]=4 2329 B14R1.743 COC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000747449 [0,1,0,0,0,1|2,0,0]=4 2330 B14R1.743 COC(=O)CC(=O)Cc1ncccn1 1458a_100000211351_100000703007 [0,1,0,0,0,1|2,0,0]=4 2331 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000211351 [0,1,0,0,0,1|1,0,0]=3 2332 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,1,0,0,0,1|2,0,0]=4 2333 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,1,0,0,0,1|2,0,0]=4 2334 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,1,0,0,0,1|2,0,0]=4 2335 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,1,0,0,0,1|2,0,0]=4 2336 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,1,0,0,0,1|2,0,0]=4 2337 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,1,0,0,0,1|2,0,0]=4 2338 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,1,0,0,0,1|2,0,0]=4 2339 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,1,0,0,0,1|2,0,0]=4 2340 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [0,1,0,0,0,1|0,0,0]=2 2341 B14R1.743 O=C(CO)CC(=O)Nc1ccccc1 1458a_100000210174_100000182850 [0,1,0,0,0,1|1,0,0]=3 2342 B14R1.743 O=C(CO)CC(=O)Nc1ccccn1 1458a_100000210174_100020662008 [0,1,0,0,0,1|2,0,0]=4 2343 B14R1.743 O=C(CO)CC(=O)Nc1ccncc1 1458a_100000210174_100000754145 [0,1,0,0,0,1|2,0,0]=4 2344 B14R1.743 O=C(CO)CC(=O)Oc1ccccc1 1458a_100000210174_100009813826 [0,1,0,0,0,1|1,0,0]=3 2345 B14R1.1485 CC(=O)NS(=O)(=O)Cc1ccccc1 2740a_100000198533_100015343762 [0,1,0,0,0,1|2,0,0]=4 2346 B14R1.5978 C=C(C)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000748629 [0,1,0,0,0,1|2,0,0]=4 2347 B14R1.5978 C=C(C)CC(=O)Cc1cccc(c1)C 1458a_100011206899_100000748629 [0,1,0,0,0,1|2,0,0]=4 2348 B14R1.5978 C=C(C)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000748629 [0,1,0,0,0,1|2,0,0]=4 2349 B14R1.5978 C=C(C)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000748629 [0,1,0,0,0,1|2,0,0]=4 2350 B14R1.5978 C=C(C)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000748629 [0,1,0,0,0,1|2,0,0]=4 2351 B14R1.5978 C=C(C)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000748629 [0,1,0,0,0,1|2,0,0]=4 2352 B14R1.5978 C=C(F)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100009893438 [0,1,0,0,0,1|2,0,0]=4 2353 B14R1.5978 C=C(F)CC(=O)Cc1cccc(c1)C 1458a_100011206899_100009893438 [0,1,0,0,0,1|2,0,0]=4 2354 B14R1.5978 C=C(F)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100009893438 [0,1,0,0,0,1|2,0,0]=4 2355 B14R1.5978 C=C(F)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100009893438 [0,1,0,0,0,1|2,0,0]=4 2356 B14R1.5978 C=C(F)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100009893438 [0,1,0,0,0,1|2,0,0]=4 2357 B14R1.5978 C=C(F)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100009893438 [0,1,0,0,0,1|2,0,0]=4 2358 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)Br)C 1458a_100000211388_100000211773 [0,1,0,0,0,1|2,0,0]=4 2359 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)Br)Cl 1458a_200042562850_100000211773 [0,1,0,0,0,1|2,0,0]=4 2360 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)Br)I 1458a_100025716642_100000211773 [0,1,0,0,0,1|2,0,0]=4 2361 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)C)C 1458a_100000211388_100000211840 [0,1,0,0,0,1|2,0,0]=4 2362 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)C)Cl 1458a_200042562850_100000211840 [0,1,0,0,0,1|2,0,0]=4 2363 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)C)I 1458a_100025716642_100000211840 [0,1,0,0,0,1|2,0,0]=4 2364 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)Cl)C 1458a_100000211388_100000181238 [0,1,0,0,0,1|2,0,0]=4 2365 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)Cl)Cl 1458a_200042562850_100000181238 [0,1,0,0,0,1|2,0,0]=4 2366 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)Cl)I 1458a_100025716642_100000181238 [0,1,0,0,0,1|2,0,0]=4 2367 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)F)C 1458a_100000211388_100000230114 [0,1,0,0,0,1|2,0,0]=4 2368 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)F)Cl 1458a_200042562850_100000230114 [0,1,0,0,0,1|2,0,0]=4 2369 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)F)I 1458a_100025716642_100000230114 [0,1,0,0,0,1|2,0,0]=4 2370 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)I)C 1458a_100000211388_100011218688 [0,1,0,0,0,1|2,0,0]=4 2371 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)I)Cl 1458a_200042562850_100011218688 [0,1,0,0,0,1|2,0,0]=4 2372 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)I)I 1458a_100025716642_100011218688 [0,1,0,0,0,1|2,0,0]=4 2373 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)O)C 1458a_100000211388_100011660834 [0,1,0,0,0,1|2,0,0]=4 2374 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)O)Cl 1458a_200042562850_100011660834 [0,1,0,0,0,1|2,0,0]=4 2375 B14R1.5978 CC(=CC(=O)Cc1cccc(c1)O)I 1458a_100025716642_100011660834 [0,1,0,0,0,1|2,0,0]=4 2376 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)Br 1458a_100000070787_100000183509 [0,1,0,0,0,1|2,0,0]=4 2377 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)C 1458a_100000070787_100000182861 [0,1,0,0,0,1|2,0,0]=4 2378 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)C 1458a_200011623804_200000210301 [0,1,0,0,0,1|2,0,0]=4 2379 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)Cl 1458a_100000070787_100000182995 [0,1,0,0,0,1|2,0,0]=4 2380 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)F 1458a_100000070787_100000183335 [0,1,0,0,0,1|2,0,0]=4 2381 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)O 1458a_100000070787_100011236192 [0,1,0,0,0,1|2,0,0]=4 2382 B14R1.5978 CC(=O)CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000187718 [0,1,0,0,0,1|2,0,0]=4 2383 B14R1.5978 CC(O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100011218427 [0,1,0,0,0,1|1,0,1]=4 2384 B14R1.5978 CC(O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100011218427 [0,1,0,0,0,1|1,0,1]=4 2385 B14R1.5978 CC(O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100011218427 [0,1,0,0,0,1|1,0,1]=4 2386 B14R1.5978 CC(O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100011218427 [0,1,0,0,0,1|1,0,1]=4 2387 B14R1.5978 CC(O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100011218427 [0,1,0,0,0,1|1,0,1]=4 2388 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746989_100000211773 [0,1,0,0,0,1|2,0,0]=4 2389 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200000210301 [0,1,0,0,0,1|2,0,0]=4 2390 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746989_100000187163 [0,1,0,0,0,1|2,0,0]=4 2391 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746989_100000230114 [0,1,0,0,0,1|2,0,0]=4 2392 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [0,1,0,0,0,1|2,0,0]=4 2393 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746989_100011660834 [0,1,0,0,0,1|2,0,0]=4 2394 B14R1.5978 C[C@@H](O)CC(=O)Cc1cccc(c1)Br 1458a_100011933948_100000211773 [0,1,0,0,0,1|1,0,1]=4 2395 B14R1.5978 C[C@@H](O)CC(=O)Cc1cccc(c1)Cl 1458a_100011933948_100000181238 [0,1,0,0,0,1|1,0,1]=4 2396 B14R1.5978 C[C@@H](O)CC(=O)Cc1cccc(c1)F 1458a_100011933948_100000230114 [0,1,0,0,0,1|1,0,1]=4 2397 B14R1.5978 C[C@@H](O)CC(=O)Cc1cccc(c1)I 1458a_100011933948_100011218688 [0,1,0,0,0,1|1,0,1]=4 2398 B14R1.5978 C[C@@H](O)CC(=O)Cc1cccc(c1)O 1458a_100011933948_100011660834 [0,1,0,0,0,1|1,0,1]=4 2399 B14R1.5978 Cc1cc(ccn1)CC(=O)CC(=O)N 1458a_100134613110_200020672517 [0,1,0,0,0,1|2,0,0]=4 2400 B14R1.5978 Cc1cccc(c1)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000211840 [0,1,0,0,0,1|2,0,0]=4 2401 B14R1.5978 Cc1cccc(c1)CC(=O)CC(=O)N 1458a_100011206899_100000187820 [0,1,0,0,0,1|1,0,0]=3 2402 B14R1.5978 Cc1cccc(c1)CC(=O)CC(=O)N 1458a_100134613110_100000211840 [0,1,0,0,0,1|1,0,0]=3 2403 B14R1.5978 Cc1cccc(c1)CC(=O)CC(=O)[O-] 1458a_100011206899_100020667443 [0,1,0,0,0,1|0,0,1]=3 2404 B14R1.5978 Cc1cccc(c1)CC(=O)CC(C)O 1458a_100011206899_100011218427 [0,1,0,0,0,1|1,0,1]=4 2405 B14R1.5978 Cc1cccc(c1)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211840 [0,1,0,0,0,1|1,0,1]=4 2406 B14R1.5978 Cc1cccc(c1)CC(=O)C[N+](=O)[O-] 1458a_100011206899_100000761209 [0,1,0,0,0,1|1,0,1]=4 2407 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000005736 [0,1,0,0,0,1|2,0,0]=4 2408 B14R1.5978 Cc1cccc(c1)NC(=O)CC(=O)N 22a_100000188690_100134613110 [0,1,0,0,0,1|2,0,0]=4 2409 B14R1.5978 Cc1cccc(c1)NC(=O)CC(=O)N 527a_100000188690_100134613110 [0,1,0,0,0,1|2,0,0]=4 2410 B14R1.5978 Cc1cccc(c1)NC(=O)CC(=O)[13CH3] 1458a_200011623804_200025704644 [0,1,0,0,0,1|2,0,0]=4 2411 B14R1.5978 Cc1cccc(n1)CC(=O)CC(=O)N 1458a_100012001110_100000187820 [0,1,0,0,0,1|2,0,0]=4 2412 B14R1.5978 Cc1cccc(n1)CC(=O)CC(=O)N 1458a_100134613110_100000757606 [0,1,0,0,0,1|2,0,0]=4 2413 B14R1.5978 Cc1cccc(n1)CC(=O)CC(=O)[O-] 1458a_100012001110_100020667443 [0,1,0,0,0,1|1,0,1]=4 2414 B14R1.5978 Cc1ccnc(c1)CC(=O)CC(=O)N 1458a_100134613110_100000718516 [0,1,0,0,0,1|2,0,0]=4 2415 B14R1.5978 Cc1cncc(c1)CC(=O)CC(=O)N 1458a_100134613110_100000716715 [0,1,0,0,0,1|2,0,0]=4 2416 B14R1.5978 NC(=O)CC(=O)Cc1cc(ccn1)Br 1458a_100134613110_100010173614 [0,1,0,0,0,1|2,0,0]=4 2417 B14R1.5978 NC(=O)CC(=O)Cc1cc(ccn1)Cl 1458a_100134613110_100016988179 [0,1,0,0,0,1|2,0,0]=4 2418 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000187820 [0,1,0,0,0,1|1,0,0]=3 2419 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100134613110_100000211773 [0,1,0,0,0,1|1,0,0]=3 2420 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000187820 [0,1,0,0,0,1|1,0,0]=3 2421 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100134613110_100000181238 [0,1,0,0,0,1|1,0,0]=3 2422 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000187820 [0,1,0,0,0,1|1,0,0]=3 2423 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)F 1458a_100134613110_100000230114 [0,1,0,0,0,1|1,0,0]=3 2424 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000187820 [0,1,0,0,0,1|1,0,0]=3 2425 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)I 1458a_100134613110_100011218688 [0,1,0,0,0,1|1,0,0]=3 2426 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000187820 [0,1,0,0,0,1|1,0,0]=3 2427 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)O 1458a_100134613110_100011660834 [0,1,0,0,0,1|1,0,0]=3 2428 B14R1.5978 NC(=O)CC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000187820 [0,1,0,0,0,1|2,0,0]=4 2429 B14R1.5978 NC(=O)CC(=O)Cc1cccc(n1)Br 1458a_100134613110_100009889011 [0,1,0,0,0,1|2,0,0]=4 2430 B14R1.5978 NC(=O)CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000187820 [0,1,0,0,0,1|2,0,0]=4 2431 B14R1.5978 NC(=O)CC(=O)Cc1cccc(n1)Cl 1458a_100134613110_100000086093 [0,1,0,0,0,1|2,0,0]=4 2432 B14R1.5978 NC(=O)CC(=O)Cc1cccc(n1)F 1458a_100000096803_100000187820 [0,1,0,0,0,1|2,0,0]=4 2433 B14R1.5978 NC(=O)CC(=O)Cc1cccc(n1)F 1458a_100134613110_100009819644 [0,1,0,0,0,1|2,0,0]=4 2434 B14R1.5978 NC(=O)CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000187820 [0,1,0,0,0,1|2,0,0]=4 2435 B14R1.5978 NC(=O)CC(=O)Cc1ccnc(c1)Br 1458a_100134613110_100010243470 [0,1,0,0,0,1|2,0,0]=4 2436 B14R1.5978 NC(=O)CC(=O)Cc1ccnc(c1)Cl 1458a_100134613110_100000764220 [0,1,0,0,0,1|2,0,0]=4 2437 B14R1.5978 NC(=O)CC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000187820 [0,1,0,0,0,1|2,0,0]=4 2438 B14R1.5978 NC(=O)CC(=O)Cc1cncc(c1)Br 1458a_100134613110_100011740620 [0,1,0,0,0,1|2,0,0]=4 2439 B14R1.5978 NC(=O)CC(=O)Cc1cncc(c1)Cl 1458a_100134613110_100016992070 [0,1,0,0,0,1|2,0,0]=4 2440 B14R1.5978 NC(=O)CC(=O)Cc1cncc(c1)F 1458a_100011667516_100000187820 [0,1,0,0,0,1|2,0,0]=4 2441 B14R1.5978 NC(=O)CC(=O)Cc1cncc(c1)F 1458a_100134613110_100000725299 [0,1,0,0,0,1|2,0,0]=4 2442 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)Br 22a_100000210019_100134613110 [0,1,0,0,0,1|2,0,0]=4 2443 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)Br 527a_100000210019_100134613110 [0,1,0,0,0,1|2,0,0]=4 2444 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100134613110 [0,1,0,0,0,1|2,0,0]=4 2445 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)F 22a_100000210047_100134613110 [0,1,0,0,0,1|2,0,0]=4 2446 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)F 527a_100000210047_100134613110 [0,1,0,0,0,1|2,0,0]=4 2447 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)I 22a_100000211102_100134613110 [0,1,0,0,0,1|2,0,0]=4 2448 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)I 527a_100000211102_100134613110 [0,1,0,0,0,1|2,0,0]=4 2449 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)O 22a_100000210217_100134613110 [0,1,0,0,0,1|2,0,0]=4 2450 B14R1.5978 NC(=O)CC(=O)Nc1cccc(c1)O 527a_100000210217_100134613110 [0,1,0,0,0,1|2,0,0]=4 2451 B14R1.5978 O=C(C=C(Cl)Cl)Cc1cccc(c1)Br 1458a_100000137448_100000211773 [0,1,0,0,0,1|2,0,0]=4 2452 B14R1.5978 O=C(C=C(Cl)Cl)Cc1cccc(c1)Cl 1458a_100000137448_100000181238 [0,1,0,0,0,1|2,0,0]=4 2453 B14R1.5978 O=C(C=C(Cl)Cl)Cc1cccc(c1)F 1458a_100000137448_100000230114 [0,1,0,0,0,1|2,0,0]=4 2454 B14R1.5978 O=C(C=C(Cl)Cl)Cc1cccc(c1)I 1458a_100000137448_100011218688 [0,1,0,0,0,1|2,0,0]=4 2455 B14R1.5978 O=C(C=C(Cl)Cl)Cc1cccc(c1)O 1458a_100000137448_100011660834 [0,1,0,0,0,1|2,0,0]=4 2456 B14R1.5978 O=C(Cc1cccc(c1)Br)C[N+](=O)[O-] 1458a_100000747190_100000761209 [0,1,0,0,0,1|1,0,1]=4 2457 B14R1.5978 O=C(Cc1cccc(c1)Cl)C[N+](=O)[O-] 1458a_100000749307_100000761209 [0,1,0,0,0,1|1,0,1]=4 2458 B14R1.5978 O=C(Cc1cccc(c1)F)C[N+](=O)[O-] 1458a_100000211661_100000761209 [0,1,0,0,0,1|1,0,1]=4 2459 B14R1.5978 O=C(Cc1cccc(c1)I)C[N+](=O)[O-] 1458a_100000238430_100000761209 [0,1,0,0,0,1|1,0,1]=4 2460 B14R1.5978 O=C(Cc1cccc(c1)O)C[N+](=O)[O-] 1458a_100000745134_100000761209 [0,1,0,0,0,1|1,0,1]=4 2461 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100020667443 [0,1,0,0,0,1|0,0,1]=3 2462 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100020667443 [0,1,0,0,0,1|0,0,1]=3 2463 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)F 1458a_100000211661_100020667443 [0,1,0,0,0,1|0,0,1]=3 2464 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)I 1458a_100000238430_100020667443 [0,1,0,0,0,1|0,0,1]=3 2465 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)O 1458a_100000745134_100020667443 [0,1,0,0,0,1|0,0,1]=3 2466 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(n1)Br 1458a_100010201708_100020667443 [0,1,0,0,0,1|1,0,1]=4 2467 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100020667443 [0,1,0,0,0,1|1,0,1]=4 2468 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(n1)F 1458a_100000096803_100020667443 [0,1,0,0,0,1|1,0,1]=4 2469 B14R1.5978 O=C([O-])CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100020667443 [0,1,0,0,0,1|1,0,1]=4 2470 B14R1.5978 O=C([O-])CC(=O)Cc1cncc(c1)Br 1458a_100000239331_100020667443 [0,1,0,0,0,1|1,0,1]=4 2471 B14R1.5978 O=C([O-])CC(=O)Cc1cncc(c1)F 1458a_100011667516_100020667443 [0,1,0,0,0,1|1,0,1]=4 2472 B14R1.5978 [13CH3]N(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200025704644 [0,1,0,0,0,1|2,0,0]=4 2473 B14R1.161 C=C(Br)C(=O)NCc1ccccc1Br 11a_100000689332_100009813364 [0,1,0,0,0,1|2,0,0]=4 2474 B14R1.161 C=C(Br)C(=O)NCc1ccccc1Br 1626a_100000689332_100009813364 [0,1,0,0,0,1|2,0,0]=4 2475 B14R1.161 C=C(Br)C(=O)NCc1ccccc1C 11a_100000174972_100009813364 [0,1,0,0,0,1|2,0,0]=4 2476 B14R1.161 C=C(Br)C(=O)NCc1ccccc1C 1626a_100000174972_100009813364 [0,1,0,0,0,1|2,0,0]=4 2477 B14R1.161 C=C(Br)C(=O)NCc1ccccc1Cl 11a_100000174879_100009813364 [0,1,0,0,0,1|2,0,0]=4 2478 B14R1.161 C=C(Br)C(=O)NCc1ccccc1Cl 1626a_100000174879_100009813364 [0,1,0,0,0,1|2,0,0]=4 2479 B14R1.161 C=C(Br)C(=O)NCc1ccccc1F 11a_100000174869_100009813364 [0,1,0,0,0,1|2,0,0]=4 2480 B14R1.161 C=C(Br)C(=O)NCc1ccccc1F 1626a_100000174869_100009813364 [0,1,0,0,0,1|2,0,0]=4 2481 B14R1.161 C=C(Br)C(=O)NCc1ccccc1I 11a_100015347259_100009813364 [0,1,0,0,0,1|2,0,0]=4 2482 B14R1.161 C=C(Br)C(=O)NCc1ccccc1I 1626a_100015347259_100009813364 [0,1,0,0,0,1|2,0,0]=4 2483 B14R1.161 C=C(C)C(=O)CCc1ccccc1Br 1458a_100000185857_100012161201 [0,1,0,0,0,1|2,0,0]=4 2484 B14R1.161 C=C(C)C(=O)CCc1ccccc1C 1458a_100000185857_100011713688 [0,1,0,0,0,1|2,0,0]=4 2485 B14R1.161 C=C(C)C(=O)CCc1ccccc1Cl 1458a_100000185857_100011713703 [0,1,0,0,0,1|2,0,0]=4 2486 B14R1.161 C=C(C)C(=O)CCc1ccccc1F 1458a_100000185857_100000720011 [0,1,0,0,0,1|2,0,0]=4 2487 B14R1.161 C=C(C)C(=O)CCc1ccccc1O 1458a_100000185857_100000722297 [0,1,0,0,0,1|2,0,0]=4 2488 B14R1.161 C=C(C)C(=O)NCc1ccccc1Br 11a_100000689332_100000185857 [0,1,0,0,0,1|2,0,0]=4 2489 B14R1.161 C=C(C)C(=O)NCc1ccccc1Br 1626a_100000689332_100000185857 [0,1,0,0,0,1|2,0,0]=4 2490 B14R1.161 C=C(C)C(=O)NCc1ccccc1C 11a_100000174972_100000185857 [0,1,0,0,0,1|2,0,0]=4 2491 B14R1.161 C=C(C)C(=O)NCc1ccccc1C 1626a_100000174972_100000185857 [0,1,0,0,0,1|2,0,0]=4 2492 B14R1.161 C=C(C)C(=O)NCc1ccccc1Cl 11a_100000174879_100000185857 [0,1,0,0,0,1|2,0,0]=4 2493 B14R1.161 C=C(C)C(=O)NCc1ccccc1Cl 1626a_100000174879_100000185857 [0,1,0,0,0,1|2,0,0]=4 2494 B14R1.161 C=C(C)C(=O)NCc1ccccc1F 11a_100000174869_100000185857 [0,1,0,0,0,1|2,0,0]=4 2495 B14R1.161 C=C(C)C(=O)NCc1ccccc1F 1626a_100000174869_100000185857 [0,1,0,0,0,1|2,0,0]=4 2496 B14R1.161 C=C(C)C(=O)NCc1ccccc1I 11a_100015347259_100000185857 [0,1,0,0,0,1|2,0,0]=4 2497 B14R1.161 C=C(C)C(=O)NCc1ccccc1I 1626a_100015347259_100000185857 [0,1,0,0,0,1|2,0,0]=4 2498 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1Br 11a_100000689332_100000039160 [0,1,0,0,0,1|2,0,0]=4 2499 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1Br 1626a_100000689332_100000039160 [0,1,0,0,0,1|2,0,0]=4 2500 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1C 11a_100000174972_100000039160 [0,1,0,0,0,1|2,0,0]=4 2501 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1C 1626a_100000174972_100000039160 [0,1,0,0,0,1|2,0,0]=4 2502 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1Cl 11a_100000174879_100000039160 [0,1,0,0,0,1|2,0,0]=4 2503 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1Cl 1626a_100000174879_100000039160 [0,1,0,0,0,1|2,0,0]=4 2504 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1F 11a_100000174869_100000039160 [0,1,0,0,0,1|2,0,0]=4 2505 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1F 1626a_100000174869_100000039160 [0,1,0,0,0,1|2,0,0]=4 2506 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1I 11a_100015347259_100000039160 [0,1,0,0,0,1|2,0,0]=4 2507 B14R1.161 C=C(Cl)C(=O)NCc1ccccc1I 1626a_100015347259_100000039160 [0,1,0,0,0,1|2,0,0]=4 2508 B14R1.161 C=C(F)C(=O)NCc1ccccc1Br 11a_100000689332_100000036797 [0,1,0,0,0,1|2,0,0]=4 2509 B14R1.161 C=C(F)C(=O)NCc1ccccc1Br 1626a_100000689332_100000036797 [0,1,0,0,0,1|2,0,0]=4 2510 B14R1.161 C=C(F)C(=O)NCc1ccccc1C 11a_100000174972_100000036797 [0,1,0,0,0,1|2,0,0]=4 2511 B14R1.161 C=C(F)C(=O)NCc1ccccc1C 1626a_100000174972_100000036797 [0,1,0,0,0,1|2,0,0]=4 2512 B14R1.161 C=C(F)C(=O)NCc1ccccc1Cl 11a_100000174879_100000036797 [0,1,0,0,0,1|2,0,0]=4 2513 B14R1.161 C=C(F)C(=O)NCc1ccccc1Cl 1626a_100000174879_100000036797 [0,1,0,0,0,1|2,0,0]=4 2514 B14R1.161 C=C(F)C(=O)NCc1ccccc1F 11a_100000174869_100000036797 [0,1,0,0,0,1|2,0,0]=4 2515 B14R1.161 C=C(F)C(=O)NCc1ccccc1F 1626a_100000174869_100000036797 [0,1,0,0,0,1|2,0,0]=4 2516 B14R1.161 C=C(F)C(=O)NCc1ccccc1I 11a_100015347259_100000036797 [0,1,0,0,0,1|2,0,0]=4 2517 B14R1.161 C=C(F)C(=O)NCc1ccccc1I 1626a_100015347259_100000036797 [0,1,0,0,0,1|2,0,0]=4 2518 B14R1.161 CC(=O)C(=O)CNc1ccccc1Br 34a_100000210017_100011261029 [0,1,0,0,0,1|1,0,0]=3 2519 B14R1.161 CC(=O)C(=O)CNc1ccccc1C 34a_100015192222_100011261029 [0,1,0,0,0,1|1,0,0]=3 2520 B14R1.161 CC(=O)C(=O)CNc1ccccc1Cl 34a_100000185783_100011261029 [0,1,0,0,0,1|1,0,0]=3 2521 B14R1.161 CC(=O)C(=O)CNc1ccccc1F 34a_100000210422_100011261029 [0,1,0,0,0,1|1,0,0]=3 2522 B14R1.161 CC(=O)C(=O)CNc1ccccc1I 34a_100000210053_100011261029 [0,1,0,0,0,1|1,0,0]=3 2523 B14R1.161 CC(=O)C(=O)CNc1ccccc1O 34a_100000185747_100011261029 [0,1,0,0,0,1|1,0,0]=3 2524 B14R1.161 CC(=O)C(=O)COc1ccccc1Br 34a_100000181306_100011261029 [0,1,0,0,0,1|1,0,0]=3 2525 B14R1.161 CC(=O)C(=O)COc1ccccc1C 34a_100000210338_100011261029 [0,1,0,0,0,1|1,0,0]=3 2526 B14R1.161 CC(=O)C(=O)COc1ccccc1Cl 34a_100000210172_100011261029 [0,1,0,0,0,1|1,0,0]=3 2527 B14R1.161 CC(=O)C(=O)COc1ccccc1F 34a_100000210171_100011261029 [0,1,0,0,0,1|1,0,0]=3 2528 B14R1.161 CC(=O)C(=O)COc1ccccc1I 34a_100000739446_100011261029 [0,1,0,0,0,1|1,0,0]=3 2529 B14R1.161 CC(=O)C(=O)COc1ccccc1N 34a_100000185747_100011261029 [0,1,0,0,0,1|1,0,0]=3 2530 B14R1.161 CC(=O)C(=O)COc1cccnc1Br 34a_100000744436_100011261029 [0,1,0,0,0,1|2,0,0]=4 2531 B14R1.161 CC(=O)C(=O)COc1cccnc1C 34a_100000745507_100011261029 [0,1,0,0,0,1|2,0,0]=4 2532 B14R1.161 CC(=O)C(=O)COc1cccnc1Cl 34a_100000757616_100011261029 [0,1,0,0,0,1|2,0,0]=4 2533 B14R1.161 CC(=O)C(=O)COc1cccnc1F 34a_100000061740_100011261029 [0,1,0,0,0,1|2,0,0]=4 2534 B14R1.161 CC(=O)C(=O)COc1cccnc1I 34a_100000034122_100011261029 [0,1,0,0,0,1|2,0,0]=4 2535 B14R1.161 CC(=O)C(=O)COc1cccnc1N 34a_100000211975_100011261029 [0,1,0,0,0,1|2,0,0]=4 2536 B14R1.161 CC(=O)C(=O)COc1cccoc1=O 34a_100000077404_100011261029 [0,1,0,0,0,1|2,0,0]=4 2537 B14R1.161 CC(=O)C(=O)COc1ccncc1Br 34a_100011996408_100011261029 [0,1,0,0,0,1|2,0,0]=4 2538 B14R1.161 CC(=O)C(=O)COc1ccncc1C 34a_100000694293_100011261029 [0,1,0,0,0,1|2,0,0]=4 2539 B14R1.161 CC(=O)C(=O)COc1ccncc1Cl 34a_100011997054_100011261029 [0,1,0,0,0,1|2,0,0]=4 2540 B14R1.161 CC(=O)C(=O)COc1ccncc1F 34a_200000081243_100011261029 [0,1,0,0,0,1|2,0,0]=4 2541 B14R1.161 CC(=O)C(=O)COc1cnccc1C 34a_100011997053_100011261029 [0,1,0,0,0,1|2,0,0]=4 2542 B14R1.161 CC(=O)C(=O)COc1cnccc1Cl 34a_100011996695_100011261029 [0,1,0,0,0,1|2,0,0]=4 2543 B14R1.161 CC(=O)C(=O)COc1cnccc1I 34a_100000050107_100011261029 [0,1,0,0,0,1|2,0,0]=4 2544 B14R1.161 CC(=O)C(=O)COc1cnccc1N 34a_100000753702_100011261029 [0,1,0,0,0,1|2,0,0]=4 2545 B14R1.161 CC(=O)C(=O)COc1coccc1=O 34a_100000060831_100011261029 [0,1,0,0,0,1|2,0,0]=4 2546 B14R1.161 CC(=O)C(=O)COc1ncccc1Cl 34a_100011290957_100011261029 [0,1,0,0,0,1|2,0,0]=4 2547 B14R1.161 CC(=O)C(=O)COc1ncccc1F 34a_100011219419_100011261029 [0,1,0,0,0,1|2,0,0]=4 2548 B14R1.161 CC(=O)C(=O)COc1ncccc1N 34a_100000746358_100011261029 [0,1,0,0,0,1|2,0,0]=4 2549 B14R1.161 CC(=O)C(=O)CSc1c[nH]ccc1=O 62a_100009998708_100011261029 [0,1,0,0,0,1|2,0,0]=4 2550 B14R1.161 CC(=O)C(=O)CSc1c[nH]ccc1=O 62a_100011261029_100009998708 [0,1,0,0,0,1|2,0,0]=4 2551 B14R1.161 CC(=O)C(=O)CSc1c[nH]ccc1=S 62a_100011261029_200012280681 [0,1,0,0,0,1|2,0,0]=4 2552 B14R1.161 CC(=O)C(=O)CSc1c[nH]ccc1=S 62a_200012280681_100011261029 [0,1,0,0,0,1|2,0,0]=4 2553 B14R1.161 CC(=O)C(=O)CSc1cccc[n+]1C 62a_100011261029_100000212160 [0,1,0,0,0,1|2,0,0]=4 2554 B14R1.161 CC(=O)C(=O)CSc1cccc[n+]1[O-] 62a_100011261029_200000042595 [0,1,0,0,0,1|2,0,0]=4 2555 B14R1.161 CC(=O)C(=O)CSc1ccccc1Br 62a_100000695589_100011261029 [0,1,0,0,0,1|1,0,0]=3 2556 B14R1.161 CC(=O)C(=O)CSc1ccccc1Br 62a_100011261029_100000695589 [0,1,0,0,0,1|1,0,0]=3 2557 B14R1.161 CC(=O)C(=O)CSc1ccccc1C 62a_100000210755_100011261029 [0,1,0,0,0,1|1,0,0]=3 2558 B14R1.161 CC(=O)C(=O)CSc1ccccc1C 62a_100011261029_100000210755 [0,1,0,0,0,1|1,0,0]=3 2559 B14R1.161 CC(=O)C(=O)CSc1ccccc1Cl 62a_100000764095_100011261029 [0,1,0,0,0,1|1,0,0]=3 2560 B14R1.161 CC(=O)C(=O)CSc1ccccc1Cl 62a_100011261029_100000764095 [0,1,0,0,0,1|1,0,0]=3 2561 B14R1.161 CC(=O)C(=O)CSc1ccccc1F 62a_100011215700_100011261029 [0,1,0,0,0,1|1,0,0]=3 2562 B14R1.161 CC(=O)C(=O)CSc1ccccc1F 62a_100011261029_100011215700 [0,1,0,0,0,1|1,0,0]=3 2563 B14R1.161 CC(=O)C(=O)CSc1ccccc1N 62a_100000210017_100011261029 [0,1,0,0,0,1|1,0,0]=3 2564 B14R1.161 CC(=O)C(=O)CSc1ccccc1N 62a_100011261029_100000210017 [0,1,0,0,0,1|1,0,0]=3 2565 B14R1.161 CC(=O)C(=O)CSc1ccccc1O 62a_100000739446_100011261029 [0,1,0,0,0,1|1,0,0]=3 2566 B14R1.161 CC(=O)C(=O)CSc1ccccc1O 62a_100011261029_100000739446 [0,1,0,0,0,1|1,0,0]=3 2567 B14R1.161 CC(=O)C(=O)CSc1cccnc1Br 62a_100010202626_100011261029 [0,1,0,0,0,1|2,0,0]=4 2568 B14R1.161 CC(=O)C(=O)CSc1cccnc1Br 62a_100011261029_100010202626 [0,1,0,0,0,1|2,0,0]=4 2569 B14R1.161 CC(=O)C(=O)CSc1cccnc1C 62a_100000751574_100011261029 [0,1,0,0,0,1|2,0,0]=4 2570 B14R1.161 CC(=O)C(=O)CSc1cccnc1C 62a_100011261029_100000751574 [0,1,0,0,0,1|2,0,0]=4 2571 B14R1.161 CC(=O)C(=O)CSc1cccnc1Cl 62a_100000036424_100011261029 [0,1,0,0,0,1|2,0,0]=4 2572 B14R1.161 CC(=O)C(=O)CSc1cccnc1Cl 62a_100011261029_100000036424 [0,1,0,0,0,1|2,0,0]=4 2573 B14R1.161 CC(=O)C(=O)CSc1cccnc1F 62a_100009816115_100011261029 [0,1,0,0,0,1|2,0,0]=4 2574 B14R1.161 CC(=O)C(=O)CSc1cccnc1F 62a_100011261029_100009816115 [0,1,0,0,0,1|2,0,0]=4 2575 B14R1.161 CC(=O)C(=O)CSc1cccnc1N 62a_100000045569_100011261029 [0,1,0,0,0,1|2,0,0]=4 2576 B14R1.161 CC(=O)C(=O)CSc1cccnc1N 62a_100011261029_100000045569 [0,1,0,0,0,1|2,0,0]=4 2577 B14R1.161 CC(=O)C(=O)CSc1cccnc1O 62a_100000760158_100011261029 [0,1,0,0,0,1|2,0,0]=4 2578 B14R1.161 CC(=O)C(=O)CSc1cccnc1O 62a_100011261029_100000760158 [0,1,0,0,0,1|2,0,0]=4 2579 B14R1.161 CC(=O)C(=O)CSc1ccncc1Br 62a_100000726257_100011261029 [0,1,0,0,0,1|2,0,0]=4 2580 B14R1.161 CC(=O)C(=O)CSc1ccncc1Br 62a_100011261029_100000726257 [0,1,0,0,0,1|2,0,0]=4 2581 B14R1.161 CC(=O)C(=O)CSc1ccncc1C 62a_100000765111_100011261029 [0,1,0,0,0,1|2,0,0]=4 2582 B14R1.161 CC(=O)C(=O)CSc1ccncc1C 62a_100011261029_100000765111 [0,1,0,0,0,1|2,0,0]=4 2583 B14R1.161 CC(=O)C(=O)CSc1ccncc1Cl 62a_100000708259_100011261029 [0,1,0,0,0,1|2,0,0]=4 2584 B14R1.161 CC(=O)C(=O)CSc1ccncc1Cl 62a_100011261029_100000708259 [0,1,0,0,0,1|2,0,0]=4 2585 B14R1.161 CC(=O)C(=O)CSc1ccncc1F 62a_100000047030_100011261029 [0,1,0,0,0,1|2,0,0]=4 2586 B14R1.161 CC(=O)C(=O)CSc1ccncc1F 62a_100011261029_100000047030 [0,1,0,0,0,1|2,0,0]=4 2587 B14R1.161 CC(=O)C(=O)CSc1ccncc1N 62a_100000756074_100011261029 [0,1,0,0,0,1|2,0,0]=4 2588 B14R1.161 CC(=O)C(=O)CSc1ccncc1N 62a_100011261029_100000756074 [0,1,0,0,0,1|2,0,0]=4 2589 B14R1.161 CC(=O)C(=O)CSc1ccncc1O 62a_100009817591_100011261029 [0,1,0,0,0,1|2,0,0]=4 2590 B14R1.161 CC(=O)C(=O)CSc1ccncc1O 62a_100011261029_100009817591 [0,1,0,0,0,1|2,0,0]=4 2591 B14R1.161 CC(=O)C(=O)CSc1cnccc1Br 62a_100010138639_100011261029 [0,1,0,0,0,1|2,0,0]=4 2592 B14R1.161 CC(=O)C(=O)CSc1cnccc1Br 62a_100011261029_100010138639 [0,1,0,0,0,1|2,0,0]=4 2593 B14R1.161 CC(=O)C(=O)CSc1cnccc1C 62a_100000761580_100011261029 [0,1,0,0,0,1|2,0,0]=4 2594 B14R1.161 CC(=O)C(=O)CSc1cnccc1C 62a_100011261029_100000761580 [0,1,0,0,0,1|2,0,0]=4 2595 B14R1.161 CC(=O)C(=O)CSc1cnccc1Cl 62a_100009995489_100011261029 [0,1,0,0,0,1|2,0,0]=4 2596 B14R1.161 CC(=O)C(=O)CSc1cnccc1Cl 62a_100011261029_100009995489 [0,1,0,0,0,1|2,0,0]=4 2597 B14R1.161 CC(=O)C(=O)CSc1cnccc1F 62a_100009820683_100011261029 [0,1,0,0,0,1|2,0,0]=4 2598 B14R1.161 CC(=O)C(=O)CSc1cnccc1F 62a_100011261029_100009820683 [0,1,0,0,0,1|2,0,0]=4 2599 B14R1.161 CC(=O)C(=O)CSc1cnccc1N 62a_100000047001_100011261029 [0,1,0,0,0,1|2,0,0]=4 2600 B14R1.161 CC(=O)C(=O)CSc1cnccc1N 62a_100011261029_100000047001 [0,1,0,0,0,1|2,0,0]=4 2601 B14R1.161 CC(=O)C(=O)CSc1ncccc1Br 62a_100000696092_100011261029 [0,1,0,0,0,1|2,0,0]=4 2602 B14R1.161 CC(=O)C(=O)CSc1ncccc1Br 62a_100011261029_100000696092 [0,1,0,0,0,1|2,0,0]=4 2603 B14R1.161 CC(=O)C(=O)CSc1ncccc1C 62a_100000751373_100011261029 [0,1,0,0,0,1|2,0,0]=4 2604 B14R1.161 CC(=O)C(=O)CSc1ncccc1C 62a_100011261029_100000751373 [0,1,0,0,0,1|2,0,0]=4 2605 B14R1.161 CC(=O)C(=O)CSc1ncccc1Cl 62a_100011261029_100011356963 [0,1,0,0,0,1|2,0,0]=4 2606 B14R1.161 CC(=O)C(=O)CSc1ncccc1Cl 62a_100011356963_100011261029 [0,1,0,0,0,1|2,0,0]=4 2607 B14R1.161 CC(=O)C(=O)CSc1ncccc1F 62a_100000685392_100011261029 [0,1,0,0,0,1|2,0,0]=4 2608 B14R1.161 CC(=O)C(=O)CSc1ncccc1F 62a_100011261029_100000685392 [0,1,0,0,0,1|2,0,0]=4 2609 B14R1.161 CC(=O)C(=O)CSc1ncccc1N 62a_100000688686_100011261029 [0,1,0,0,0,1|2,0,0]=4 2610 B14R1.161 CC(=O)C(=O)CSc1ncccc1N 62a_100011261029_100000688686 [0,1,0,0,0,1|2,0,0]=4 2611 B14R1.161 CC(=O)C(=O)CSc1ncccc1O 62a_100000034122_100011261029 [0,1,0,0,0,1|2,0,0]=4 2612 B14R1.161 CC(=O)C(=O)CSc1ncccc1O 62a_100011261029_100000034122 [0,1,0,0,0,1|2,0,0]=4 2613 B14R1.161 C[C@@H](O)C(=O)CCc1ccccc1Br 1458a_100000717761_100012161201 [0,1,0,0,0,1|1,0,1]=4 2614 B14R1.161 C[C@@H](O)C(=O)CCc1ccccc1Cl 1458a_100000717761_100011713703 [0,1,0,0,0,1|1,0,1]=4 2615 B14R1.161 C[C@@H](O)C(=O)CCc1ccccc1F 1458a_100000717761_100000720011 [0,1,0,0,0,1|1,0,1]=4 2616 B14R1.161 C[C@@H](O)C(=O)CCc1ccccc1O 1458a_100000717761_100000722297 [0,1,0,0,0,1|1,0,1]=4 2617 B14R1.161 C[C@@H](O)C(=O)NCc1ccccc1Br 240690a_100000689332_100000717761 [0,1,0,0,0,1|1,0,1]=4 2618 B14R1.161 C[C@@H](O)C(=O)NCc1ccccc1Cl 240690a_100000174879_100000717761 [0,1,0,0,0,1|1,0,1]=4 2619 B14R1.161 C[C@@H](O)C(=O)NCc1ccccc1F 240690a_100000174869_100000717761 [0,1,0,0,0,1|1,0,1]=4 2620 B14R1.161 C[C@@H](O)C(=O)NCc1ccccc1I 240690a_100015347259_100000717761 [0,1,0,0,0,1|1,0,1]=4 2621 B14R1.161 C[C@@H](O)C(=O)NCc1ccccc1O 240690a_100000185550_100000717761 [0,1,0,0,0,1|1,0,1]=4 2622 B14R1.161 C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100000743915_100000184730 [0,1,0,0,0,1|1,0,1]=4 2623 B14R1.161 C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100000743915_100000187162 [0,1,0,0,0,1|1,0,1]=4 2624 B14R1.161 C[C@H](NCc1ccccc1F)C(=O)O 269956a_100000743915_100000187165 [0,1,0,0,0,1|1,0,1]=4 2625 B14R1.161 C[C@H](NCc1ccccc1I)C(=O)O 269956a_100000743915_100011216222 [0,1,0,0,0,1|1,0,1]=4 2626 B14R1.161 C[C@H](O)C(=O)CCc1ccccc1Br 1458a_217856618621_100012161201 [0,1,0,0,0,1|1,0,1]=4 2627 B14R1.161 C[C@H](O)C(=O)CCc1ccccc1Cl 1458a_217856618621_100011713703 [0,1,0,0,0,1|1,0,1]=4 2628 B14R1.161 C[C@H](O)C(=O)CCc1ccccc1F 1458a_217856618621_100000720011 [0,1,0,0,0,1|1,0,1]=4 2629 B14R1.161 C[C@H](O)C(=O)CCc1ccccc1O 1458a_217856618621_100000722297 [0,1,0,0,0,1|1,0,1]=4 2630 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1Br 1626a_100000689332_217856618621 [0,1,0,0,0,1|1,0,1]=4 2631 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1Br 240690a_100000689332_217856618621 [0,1,0,0,0,1|1,0,1]=4 2632 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1Cl 1626a_100000174879_217856618621 [0,1,0,0,0,1|1,0,1]=4 2633 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1Cl 240690a_100000174879_217856618621 [0,1,0,0,0,1|1,0,1]=4 2634 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1F 1626a_100000174869_217856618621 [0,1,0,0,0,1|1,0,1]=4 2635 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1F 240690a_100000174869_217856618621 [0,1,0,0,0,1|1,0,1]=4 2636 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1I 1626a_100015347259_217856618621 [0,1,0,0,0,1|1,0,1]=4 2637 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1I 240690a_100015347259_217856618621 [0,1,0,0,0,1|1,0,1]=4 2638 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1O 240690a_100000185550_217856618621 [0,1,0,0,0,1|1,0,1]=4 2639 B14R1.161 Cc1ccccc1CCC(=O)C(O)O 1458a_100000233687_100011713688 [0,1,0,0,0,1|0,0,2]=4 2640 B14R1.161 Cc1ccccc1CCC(=O)[C@@H](C)O 1458a_100000717761_100011713688 [0,1,0,0,0,1|1,0,1]=4 2641 B14R1.161 Cc1ccccc1CCC(=O)[C@H](C)O 1458a_217856618621_100011713688 [0,1,0,0,0,1|1,0,1]=4 2642 B14R1.161 Cc1ccccc1CNC(=O)C(=O)N 240690a_100000174972_100011215815 [0,1,0,0,0,1|1,0,0]=3 2643 B14R1.161 Cc1ccccc1CNC(=O)C(O)O 240690a_100000174972_100000233687 [0,1,0,0,0,1|0,0,2]=4 2644 B14R1.161 Cc1ccccc1CNC(=O)[C@@H](C)O 240690a_100000174972_100000717761 [0,1,0,0,0,1|1,0,1]=4 2645 B14R1.161 Cc1ccccc1CNC(=O)[C@H](C)O 1626a_100000174972_217856618621 [0,1,0,0,0,1|1,0,1]=4 2646 B14R1.161 Cc1ccccc1CNC(=O)[C@H](C)O 240690a_100000174972_217856618621 [0,1,0,0,0,1|1,0,1]=4 2647 B14R1.161 Cc1ccccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000211750 [0,1,0,0,0,1|1,0,1]=4 2648 B14R1.161 Cc1ccccc1NNC(=O)C(=O)N 22a_100000184220_100011215815 [0,1,0,0,0,1|2,0,0]=4 2649 B14R1.161 Cc1cccnc1CNC(=O)C(=O)N 240690a_100011223789_100011215815 [0,1,0,0,0,1|2,0,0]=4 2650 B14R1.161 Cc1ccncc1CNC(=O)C(=O)N 240690a_100011997553_100011215815 [0,1,0,0,0,1|2,0,0]=4 2651 B14R1.161 Cc1cnccc1CNC(=O)C(=O)N 240690a_100000708811_100011215815 [0,1,0,0,0,1|2,0,0]=4 2652 B14R1.161 NC(=O)C(=O)NCc1ccccc1Br 240690a_100000689332_100011215815 [0,1,0,0,0,1|1,0,0]=3 2653 B14R1.161 NC(=O)C(=O)NCc1ccccc1Cl 240690a_100000174879_100011215815 [0,1,0,0,0,1|1,0,0]=3 2654 B14R1.161 NC(=O)C(=O)NCc1ccccc1F 240690a_100000174869_100011215815 [0,1,0,0,0,1|1,0,0]=3 2655 B14R1.161 NC(=O)C(=O)NCc1ccccc1I 240690a_100015347259_100011215815 [0,1,0,0,0,1|1,0,0]=3 2656 B14R1.161 NC(=O)C(=O)NCc1ccccc1O 240690a_100000185550_100011215815 [0,1,0,0,0,1|1,0,0]=3 2657 B14R1.161 NC(=O)C(=O)NCc1cccnc1Br 240690a_100009818023_100011215815 [0,1,0,0,0,1|2,0,0]=4 2658 B14R1.161 NC(=O)C(=O)NCc1cccnc1Cl 240690a_100015189234_100011215815 [0,1,0,0,0,1|2,0,0]=4 2659 B14R1.161 NC(=O)C(=O)NCc1cccnc1F 240690a_100000724633_100011215815 [0,1,0,0,0,1|2,0,0]=4 2660 B14R1.161 NC(=O)C(=O)NCc1ccncc1Br 240690a_100020640021_100011215815 [0,1,0,0,0,1|2,0,0]=4 2661 B14R1.161 NC(=O)C(=O)NCc1ccncc1F 240690a_100011935246_100011215815 [0,1,0,0,0,1|2,0,0]=4 2662 B14R1.161 NC(=O)C(=O)NCc1ncccc1Br 240690a_100020591323_100011215815 [0,1,0,0,0,1|2,0,0]=4 2663 B14R1.161 NC(=O)C(=O)NCc1ncccc1Cl 240690a_100015189233_100011215815 [0,1,0,0,0,1|2,0,0]=4 2664 B14R1.161 NC(=O)C(=O)NCc1ncccc1F 240690a_100000690088_100011215815 [0,1,0,0,0,1|2,0,0]=4 2665 B14R1.161 NC(=O)C(=O)NNc1ccccc1Br 22a_100000241748_100011215815 [0,1,0,0,0,1|2,0,0]=4 2666 B14R1.161 NC(=O)C(=O)NNc1ccccc1Cl 22a_100000683529_100011215815 [0,1,0,0,0,1|2,0,0]=4 2667 B14R1.161 NC(=O)C(=O)NNc1ccccc1F 22a_100000239246_100011215815 [0,1,0,0,0,1|2,0,0]=4 2668 B14R1.161 NC(=O)C(=O)NNc1ccccc1I 22a_100011218156_100011215815 [0,1,0,0,0,1|2,0,0]=4 2669 B14R1.161 O=C(CCc1ccccc1Br)C(O)O 1458a_100000233687_100012161201 [0,1,0,0,0,1|0,0,2]=4 2670 B14R1.161 O=C(CCc1ccccc1Cl)C(O)O 1458a_100000233687_100011713703 [0,1,0,0,0,1|0,0,2]=4 2671 B14R1.161 O=C(CCc1ccccc1F)C(O)O 1458a_100000233687_100000720011 [0,1,0,0,0,1|0,0,2]=4 2672 B14R1.161 O=C(CCc1ccccc1O)C(O)O 1458a_100000233687_100000722297 [0,1,0,0,0,1|0,0,2]=4 2673 B14R1.161 O=C(NCc1ccccc1Br)C(O)O 240690a_100000689332_100000233687 [0,1,0,0,0,1|0,0,2]=4 2674 B14R1.161 O=C(NCc1ccccc1Cl)C(O)O 240690a_100000174879_100000233687 [0,1,0,0,0,1|0,0,2]=4 2675 B14R1.161 O=C(NCc1ccccc1F)C(O)O 240690a_100000174869_100000233687 [0,1,0,0,0,1|0,0,2]=4 2676 B14R1.161 O=C(NCc1ccccc1I)C(O)O 240690a_100015347259_100000233687 [0,1,0,0,0,1|0,0,2]=4 2677 B14R1.161 O=C(NCc1ccccc1O)C(O)O 240690a_100000185550_100000233687 [0,1,0,0,0,1|0,0,2]=4 2678 B14R1.415 C=C(Br)C(=O)N[C@H](C)c1ccccc1 11a_100000751104_100009813364 [0,1,0,0,0,1|2,0,0]=4 2679 B14R1.415 C=C(Br)C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100009813364 [0,1,0,0,0,1|2,0,0]=4 2680 B14R1.415 C=C(C)C(=O)CC(=O)c1ccccc1 1458a_100000185857_100000211460 [0,1,0,0,0,1|2,0,0]=4 2681 B14R1.415 C=C(C)C(=O)CC(C)c1ccccc1 1458a_100000185857_100000756946 [0,1,0,0,0,1|2,0,0]=4 2682 B14R1.415 C=C(C)C(=O)CC(O)c1ccccc1 1458a_100000185857_100000185958 [0,1,0,0,0,1|2,0,0]=4 2683 B14R1.415 C=C(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000185857_100011933945 [0,1,0,0,0,1|2,0,0]=4 2684 B14R1.415 C=C(C)C(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000185857 [0,1,0,0,0,1|2,0,0]=4 2685 B14R1.415 C=C(C)C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000185857 [0,1,0,0,0,1|2,0,0]=4 2686 B14R1.415 C=C(Cl)C(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000039160 [0,1,0,0,0,1|2,0,0]=4 2687 B14R1.415 C=C(Cl)C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000039160 [0,1,0,0,0,1|2,0,0]=4 2688 B14R1.415 C=C(F)C(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000036797 [0,1,0,0,0,1|2,0,0]=4 2689 B14R1.415 C=C(F)C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000036797 [0,1,0,0,0,1|2,0,0]=4 2690 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011261029 [0,1,0,0,0,1|1,0,0]=3 2691 B14R1.415 CC(=O)C(=O)CN(C)c1ccccc1 269982a_100000210012_100011261029 [0,1,0,0,0,1|1,0,0]=3 2692 B14R1.415 CC(=O)C(=O)CN(C)c1ccccc1 34a_100000210012_100011261029 [0,1,0,0,0,1|1,0,0]=3 2693 B14R1.415 CC(CC(=O)C(O)O)c1ccccc1 1458a_100000233687_100000756946 [0,1,0,0,0,1|0,0,2]=4 2694 B14R1.415 CC(CC(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000756946 [0,1,0,0,0,1|1,0,1]=4 2695 B14R1.415 CC(CC(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000756946 [0,1,0,0,0,1|1,0,1]=4 2696 B14R1.415 CC(NC(=O)C(=O)N)c1ccccn1 240690a_100000181244_100011215815 [0,1,0,0,0,1|2,0,0]=4 2697 B14R1.415 CC(NC(=O)C(=O)N)c1cccnc1 240690a_100000195435_100011215815 [0,1,0,0,0,1|2,0,0]=4 2698 B14R1.415 CC(NC(=O)C(=O)N)c1ccncc1 240690a_100000181269_100011215815 [0,1,0,0,0,1|2,0,0]=4 2699 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,1,0,0,0,1|1,0,1]=4 2700 B14R1.415 C[C@@H](NC(=O)C(=O)N)c1ccccc1 240690a_100000751104_100011215815 [0,1,0,0,0,1|1,0,0]=3 2701 B14R1.415 C[C@@H](NC(=O)C(O)O)c1ccccc1 240690a_100000751104_100000233687 [0,1,0,0,0,1|0,0,2]=4 2702 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000717761_100000211460 [0,1,0,0,0,1|1,0,1]=4 2703 B14R1.415 C[C@@H](O)C(=O)CC(O)c1ccccc1 1458a_100000717761_100000185958 [0,1,0,0,0,1|1,0,1]=4 2704 B14R1.415 C[C@@H](O)C(=O)C[C@@H](O)c1ccccc1 1458a_100000717761_100011933945 [0,1,0,0,0,1|1,0,1]=4 2705 B14R1.415 C[C@@H](O)C(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000717761 [0,1,0,0,0,1|1,0,1]=4 2706 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccccc1 1458a_217856618621_100000211460 [0,1,0,0,0,1|1,0,1]=4 2707 B14R1.415 C[C@H](O)C(=O)CC(O)c1ccccc1 1458a_217856618621_100000185958 [0,1,0,0,0,1|1,0,1]=4 2708 B14R1.415 C[C@H](O)C(=O)C[C@@H](O)c1ccccc1 1458a_217856618621_100011933945 [0,1,0,0,0,1|1,0,1]=4 2709 B14R1.415 C[C@H](O)C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_217856618621 [0,1,0,0,0,1|1,0,1]=4 2710 B14R1.415 C[C@H](O)C(=O)N[C@H](C)c1ccccc1 240690a_100000751104_217856618621 [0,1,0,0,0,1|1,0,1]=4 2711 B14R1.415 O=C(CC(=O)C(O)O)c1ccccc1 1458a_100000233687_100000211460 [0,1,0,0,0,1|0,0,2]=4 2712 B14R1.415 O=C(CC(O)c1ccccc1)C(O)O 1458a_100000233687_100000185958 [0,1,0,0,0,1|0,0,2]=4 2713 B14R1.415 O=C(C[C@@H](O)c1ccccc1)C(O)O 1458a_100000233687_100011933945 [0,1,0,0,0,1|0,0,2]=4 2714 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)Br 11a_100000174875_100009813364 [0,1,0,0,0,1|2,0,0]=4 2715 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)Br 1626a_100000174875_100009813364 [0,1,0,0,0,1|2,0,0]=4 2716 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)C 11a_100000174908_100009813364 [0,1,0,0,0,1|2,0,0]=4 2717 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)C 1626a_100000174908_100009813364 [0,1,0,0,0,1|2,0,0]=4 2718 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)Cl 11a_100000174871_100009813364 [0,1,0,0,0,1|2,0,0]=4 2719 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100009813364 [0,1,0,0,0,1|2,0,0]=4 2720 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)F 11a_100000174882_100009813364 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)F 1626a_100000174882_100009813364 [0,1,0,0,0,1|2,0,0]=4 2722 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)I 11a_100016989417_100009813364 [0,1,0,0,0,1|2,0,0]=4 2723 B14R1.679 C=C(Br)C(=O)NCc1ccc(cc1)I 1626a_100016989417_100009813364 [0,1,0,0,0,1|2,0,0]=4 2724 B14R1.679 C=C(C)C(=O)CCc1ccc(cc1)Br 1458a_100000185857_100011740612 [0,1,0,0,0,1|2,0,0]=4 2725 B14R1.679 C=C(C)C(=O)CCc1ccc(cc1)C 1458a_100000185857_100011713686 [0,1,0,0,0,1|2,0,0]=4 2726 B14R1.679 C=C(C)C(=O)CCc1ccc(cc1)Cl 1458a_100000185857_100011713675 [0,1,0,0,0,1|2,0,0]=4 2727 B14R1.679 C=C(C)C(=O)CCc1ccc(cc1)F 1458a_100000185857_100011217392 [0,1,0,0,0,1|2,0,0]=4 2728 B14R1.679 C=C(C)C(=O)CCc1ccc(cc1)O 1458a_100000185857_100009816426 [0,1,0,0,0,1|2,0,0]=4 2729 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)Br 11a_100000174875_100000185857 [0,1,0,0,0,1|2,0,0]=4 2730 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000185857 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)C 11a_100000174908_100000185857 [0,1,0,0,0,1|2,0,0]=4 2732 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)C 1626a_100000174908_100000185857 [0,1,0,0,0,1|2,0,0]=4 2733 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000185857 [0,1,0,0,0,1|2,0,0]=4 2734 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000185857 [0,1,0,0,0,1|2,0,0]=4 2735 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)F 11a_100000174882_100000185857 [0,1,0,0,0,1|2,0,0]=4 2736 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)F 1626a_100000174882_100000185857 [0,1,0,0,0,1|2,0,0]=4 2737 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)I 11a_100016989417_100000185857 [0,1,0,0,0,1|2,0,0]=4 2738 B14R1.679 C=C(C)C(=O)NCc1ccc(cc1)I 1626a_100016989417_100000185857 [0,1,0,0,0,1|2,0,0]=4 2739 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)Br 11a_100000174875_100000039160 [0,1,0,0,0,1|2,0,0]=4 2740 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000039160 [0,1,0,0,0,1|2,0,0]=4 2741 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)C 11a_100000174908_100000039160 [0,1,0,0,0,1|2,0,0]=4 2742 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)C 1626a_100000174908_100000039160 [0,1,0,0,0,1|2,0,0]=4 2743 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000039160 [0,1,0,0,0,1|2,0,0]=4 2744 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000039160 [0,1,0,0,0,1|2,0,0]=4 2745 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)F 11a_100000174882_100000039160 [0,1,0,0,0,1|2,0,0]=4 2746 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)F 1626a_100000174882_100000039160 [0,1,0,0,0,1|2,0,0]=4 2747 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)I 11a_100016989417_100000039160 [0,1,0,0,0,1|2,0,0]=4 2748 B14R1.679 C=C(Cl)C(=O)NCc1ccc(cc1)I 1626a_100016989417_100000039160 [0,1,0,0,0,1|2,0,0]=4 2749 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)Br 11a_100000174875_100000036797 [0,1,0,0,0,1|2,0,0]=4 2750 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000036797 [0,1,0,0,0,1|2,0,0]=4 2751 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)C 11a_100000174908_100000036797 [0,1,0,0,0,1|2,0,0]=4 2752 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)C 1626a_100000174908_100000036797 [0,1,0,0,0,1|2,0,0]=4 2753 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000036797 [0,1,0,0,0,1|2,0,0]=4 2754 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000036797 [0,1,0,0,0,1|2,0,0]=4 2755 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)F 11a_100000174882_100000036797 [0,1,0,0,0,1|2,0,0]=4 2756 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)F 1626a_100000174882_100000036797 [0,1,0,0,0,1|2,0,0]=4 2757 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)I 11a_100016989417_100000036797 [0,1,0,0,0,1|2,0,0]=4 2758 B14R1.679 C=C(F)C(=O)NCc1ccc(cc1)I 1626a_100016989417_100000036797 [0,1,0,0,0,1|2,0,0]=4 2759 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)Br 34a_100000210018_100011261029 [0,1,0,0,0,1|1,0,0]=3 2760 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)C 34a_100000124888_100011261029 [0,1,0,0,0,1|1,0,0]=3 2761 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)Cl 34a_100000210052_100011261029 [0,1,0,0,0,1|1,0,0]=3 2762 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)F 34a_100000185862_100011261029 [0,1,0,0,0,1|1,0,0]=3 2763 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)I 34a_100000185761_100011261029 [0,1,0,0,0,1|1,0,0]=3 2764 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)O 34a_100000185829_100011261029 [0,1,0,0,0,1|1,0,0]=3 2765 B14R1.679 CC(=O)C(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100011261029 [0,1,0,0,0,1|2,0,0]=4 2766 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)Br 34a_100000185759_100011261029 [0,1,0,0,0,1|1,0,0]=3 2767 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)C 34a_100000210336_100011261029 [0,1,0,0,0,1|1,0,0]=3 2768 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)Cl 34a_100000210216_100011261029 [0,1,0,0,0,1|1,0,0]=3 2769 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)F 34a_100000210339_100011261029 [0,1,0,0,0,1|1,0,0]=3 2770 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)I 34a_100000212066_100011261029 [0,1,0,0,0,1|1,0,0]=3 2771 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)N 34a_100000185829_100011261029 [0,1,0,0,0,1|1,0,0]=3 2772 B14R1.679 CC(=O)C(=O)COc1ccc(cn1)C 34a_100000759353_100011261029 [0,1,0,0,0,1|2,0,0]=4 2773 B14R1.679 CC(=O)C(=O)COc1ccc(cn1)Cl 34a_100011215309_100011261029 [0,1,0,0,0,1|2,0,0]=4 2774 B14R1.679 CC(=O)C(=O)COc1ccc(cn1)F 34a_100000742473_100011261029 [0,1,0,0,0,1|2,0,0]=4 2775 B14R1.679 CC(=O)C(=O)COc1ccc(cn1)N 34a_100000729260_100011261029 [0,1,0,0,0,1|2,0,0]=4 2776 B14R1.679 CC(=O)C(=O)COc1ccc(nc1)Br 34a_100000685995_100011261029 [0,1,0,0,0,1|2,0,0]=4 2777 B14R1.679 CC(=O)C(=O)COc1ccc(nc1)C 34a_100000745506_100011261029 [0,1,0,0,0,1|2,0,0]=4 2778 B14R1.679 CC(=O)C(=O)COc1ccc(nc1)Cl 34a_100000744096_100011261029 [0,1,0,0,0,1|2,0,0]=4 2779 B14R1.679 CC(=O)C(=O)COc1ccc(nc1)F 34a_100000688820_100011261029 [0,1,0,0,0,1|2,0,0]=4 2780 B14R1.679 CC(=O)C(=O)COc1ccc(nc1)I 34a_100000687607_100011261029 [0,1,0,0,0,1|2,0,0]=4 2781 B14R1.679 CC(=O)C(=O)COc1ccc(nc1)N 34a_100015188713_100011261029 [0,1,0,0,0,1|2,0,0]=4 2782 B14R1.679 CC(=O)C(=O)CSc1cc[n+](cc1)[O-] 62a_100011261029_100000039755 [0,1,0,0,0,1|2,0,0]=4 2783 B14R1.679 CC(=O)C(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011261029 [0,1,0,0,0,1|2,0,0]=4 2784 B14R1.679 CC(=O)C(=O)CSc1ccc(=O)[nH]c1 62a_100011261029_100000212171 [0,1,0,0,0,1|2,0,0]=4 2785 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)Br 62a_100000752885_100011261029 [0,1,0,0,0,1|1,0,0]=3 2786 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)Br 62a_100011261029_100000752885 [0,1,0,0,0,1|1,0,0]=3 2787 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)C 62a_100000186775_100011261029 [0,1,0,0,0,1|1,0,0]=3 2788 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)C 62a_100011261029_100000186775 [0,1,0,0,0,1|1,0,0]=3 2789 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)Cl 62a_100000755918_100011261029 [0,1,0,0,0,1|1,0,0]=3 2790 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)Cl 62a_100011261029_100000755918 [0,1,0,0,0,1|1,0,0]=3 2791 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)F 62a_100000211213_100011261029 [0,1,0,0,0,1|1,0,0]=3 2792 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)F 62a_100011261029_100000211213 [0,1,0,0,0,1|1,0,0]=3 2793 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)N 62a_100000185761_100011261029 [0,1,0,0,0,1|1,0,0]=3 2794 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)N 62a_100011261029_100000185761 [0,1,0,0,0,1|1,0,0]=3 2795 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)O 62a_100011261029_100000185759 [0,1,0,0,0,1|1,0,0]=3 2796 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)Br 62a_100000686858_100011261029 [0,1,0,0,0,1|2,0,0]=4 2797 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)Br 62a_100011261029_100000686858 [0,1,0,0,0,1|2,0,0]=4 2798 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)C 62a_100011192072_100011261029 [0,1,0,0,0,1|2,0,0]=4 2799 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)C 62a_100011261029_100000754016 [0,1,0,0,0,1|2,0,0]=4 2800 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)Cl 62a_100011261029_100011356976 [0,1,0,0,0,1|2,0,0]=4 2801 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)Cl 62a_100011356976_100011261029 [0,1,0,0,0,1|2,0,0]=4 2802 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)F 62a_100000744514_100011261029 [0,1,0,0,0,1|2,0,0]=4 2803 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)F 62a_100011261029_100000744514 [0,1,0,0,0,1|2,0,0]=4 2804 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)N 62a_100000737798_100011261029 [0,1,0,0,0,1|2,0,0]=4 2805 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)N 62a_100011261029_100000737798 [0,1,0,0,0,1|2,0,0]=4 2806 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)O 62a_100000685995_100011261029 [0,1,0,0,0,1|2,0,0]=4 2807 B14R1.679 CC(=O)C(=O)CSc1ccc(cn1)O 62a_100011261029_100000744096 [0,1,0,0,0,1|2,0,0]=4 2808 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)Br 62a_100009814638_100011261029 [0,1,0,0,0,1|2,0,0]=4 2809 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)Br 62a_100011261029_100009814638 [0,1,0,0,0,1|2,0,0]=4 2810 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)C 62a_100000751577_100011261029 [0,1,0,0,0,1|2,0,0]=4 2811 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)C 62a_100011261029_100000751577 [0,1,0,0,0,1|2,0,0]=4 2812 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)Cl 62a_100000034144_100011261029 [0,1,0,0,0,1|2,0,0]=4 2813 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)Cl 62a_100011261029_100000034144 [0,1,0,0,0,1|2,0,0]=4 2814 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)F 62a_100000042367_100011261029 [0,1,0,0,0,1|2,0,0]=4 2815 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)F 62a_100011261029_100000042367 [0,1,0,0,0,1|2,0,0]=4 2816 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)N 62a_100000187370_100011261029 [0,1,0,0,0,1|2,0,0]=4 2817 B14R1.679 CC(=O)C(=O)CSc1ccc(nc1)N 62a_100011261029_100000187370 [0,1,0,0,0,1|2,0,0]=4 2818 B14R1.679 C[C@@H](O)C(=O)CCc1ccc(cc1)Br 1458a_100000717761_100011740612 [0,1,0,0,0,1|1,0,1]=4 2819 B14R1.679 C[C@@H](O)C(=O)CCc1ccc(cc1)Cl 1458a_100000717761_100011713675 [0,1,0,0,0,1|1,0,1]=4 2820 B14R1.679 C[C@@H](O)C(=O)CCc1ccc(cc1)F 1458a_100000717761_100011217392 [0,1,0,0,0,1|1,0,1]=4 2821 B14R1.679 C[C@@H](O)C(=O)CCc1ccc(cc1)O 1458a_100000717761_100009816426 [0,1,0,0,0,1|1,0,1]=4 2822 B14R1.679 C[C@@H](O)C(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000717761 [0,1,0,0,0,1|1,0,1]=4 2823 B14R1.679 C[C@@H](O)C(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000717761 [0,1,0,0,0,1|1,0,1]=4 2824 B14R1.679 C[C@@H](O)C(=O)NCc1ccc(cc1)F 240690a_100000174882_100000717761 [0,1,0,0,0,1|1,0,1]=4 2825 B14R1.679 C[C@@H](O)C(=O)NCc1ccc(cc1)I 240690a_100016989417_100000717761 [0,1,0,0,0,1|1,0,1]=4 2826 B14R1.679 C[C@@H](O)C(=O)NCc1ccc(cc1)O 240690a_100000185549_100000717761 [0,1,0,0,0,1|1,0,1]=4 2827 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,1,0,0,0,1|1,0,1]=4 2828 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,1,0,0,0,1|1,0,1]=4 2829 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,1,0,0,0,1|1,0,1]=4 2830 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,1,0,0,0,1|1,0,1]=4 2831 B14R1.679 C[C@H](O)C(=O)CCc1ccc(cc1)Br 1458a_217856618621_100011740612 [0,1,0,0,0,1|1,0,1]=4 2832 B14R1.679 C[C@H](O)C(=O)CCc1ccc(cc1)Cl 1458a_217856618621_100011713675 [0,1,0,0,0,1|1,0,1]=4 2833 B14R1.679 C[C@H](O)C(=O)CCc1ccc(cc1)F 1458a_217856618621_100011217392 [0,1,0,0,0,1|1,0,1]=4 2834 B14R1.679 C[C@H](O)C(=O)CCc1ccc(cc1)O 1458a_217856618621_100009816426 [0,1,0,0,0,1|1,0,1]=4 2835 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)Br 1626a_100000174875_217856618621 [0,1,0,0,0,1|1,0,1]=4 2836 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)Br 240690a_100000174875_217856618621 [0,1,0,0,0,1|1,0,1]=4 2837 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)Cl 1626a_100000174871_217856618621 [0,1,0,0,0,1|1,0,1]=4 2838 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)Cl 240690a_100000174871_217856618621 [0,1,0,0,0,1|1,0,1]=4 2839 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)F 1626a_100000174882_217856618621 [0,1,0,0,0,1|1,0,1]=4 2840 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)F 240690a_100000174882_217856618621 [0,1,0,0,0,1|1,0,1]=4 2841 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)I 1626a_100016989417_217856618621 [0,1,0,0,0,1|1,0,1]=4 2842 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)I 240690a_100016989417_217856618621 [0,1,0,0,0,1|1,0,1]=4 2843 B14R1.679 C[C@H](O)C(=O)NCc1ccc(cc1)O 240690a_100000185549_217856618621 [0,1,0,0,0,1|1,0,1]=4 2844 B14R1.679 Cc1ccc(cc1)CCC(=O)C(O)O 1458a_100000233687_100011713686 [0,1,0,0,0,1|0,0,2]=4 2845 B14R1.679 Cc1ccc(cc1)CCC(=O)[C@@H](C)O 1458a_100000717761_100011713686 [0,1,0,0,0,1|1,0,1]=4 2846 B14R1.679 Cc1ccc(cc1)CCC(=O)[C@H](C)O 1458a_217856618621_100011713686 [0,1,0,0,0,1|1,0,1]=4 2847 B14R1.679 Cc1ccc(cc1)CNC(=O)C(=O)N 240690a_100000174908_100011215815 [0,1,0,0,0,1|1,0,0]=3 2848 B14R1.679 Cc1ccc(cc1)CNC(=O)C(O)O 240690a_100000174908_100000233687 [0,1,0,0,0,1|0,0,2]=4 2849 B14R1.679 Cc1ccc(cc1)CNC(=O)[C@@H](C)O 240690a_100000174908_100000717761 [0,1,0,0,0,1|1,0,1]=4 2850 B14R1.679 Cc1ccc(cc1)CNC(=O)[C@H](C)O 1626a_100000174908_217856618621 [0,1,0,0,0,1|1,0,1]=4 2851 B14R1.679 Cc1ccc(cc1)CNC(=O)[C@H](C)O 240690a_100000174908_217856618621 [0,1,0,0,0,1|1,0,1]=4 2852 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,1,0,0,0,1|1,0,1]=4 2853 B14R1.679 Cc1ccc(cc1)NNC(=O)C(=O)N 22a_100000683527_100011215815 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.679 Cc1ccc(cn1)CNC(=O)C(=O)N 240690a_100000740942_100011215815 [0,1,0,0,0,1|2,0,0]=4 2855 B14R1.679 Cc1ccc(nc1)CNC(=O)C(=O)N 240690a_100015187455_100011215815 [0,1,0,0,0,1|2,0,0]=4 2856 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)Br 240690a_100000174875_100011215815 [0,1,0,0,0,1|1,0,0]=3 2857 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100011215815 [0,1,0,0,0,1|1,0,0]=3 2858 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)F 240690a_100000174882_100011215815 [0,1,0,0,0,1|1,0,0]=3 2859 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)I 240690a_100016989417_100011215815 [0,1,0,0,0,1|1,0,0]=3 2860 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)O 240690a_100000185549_100011215815 [0,1,0,0,0,1|1,0,0]=3 2861 B14R1.679 NC(=O)C(=O)NCc1ccc(cn1)Br 240690a_100015188789_100011215815 [0,1,0,0,0,1|2,0,0]=4 2862 B14R1.679 NC(=O)C(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100011215815 [0,1,0,0,0,1|2,0,0]=4 2863 B14R1.679 NC(=O)C(=O)NCc1ccc(cn1)F 240690a_100020620131_100011215815 [0,1,0,0,0,1|2,0,0]=4 2864 B14R1.679 NC(=O)C(=O)NCc1ccc(cn1)O 240690a_100020605196_100011215815 [0,1,0,0,0,1|2,0,0]=4 2865 B14R1.679 NC(=O)C(=O)NCc1ccc(nc1)Br 240690a_100009817727_100011215815 [0,1,0,0,0,1|2,0,0]=4 2866 B14R1.679 NC(=O)C(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100011215815 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.679 NC(=O)C(=O)NCc1ccc(nc1)F 240690a_100000101913_100011215815 [0,1,0,0,0,1|2,0,0]=4 2868 B14R1.679 NC(=O)C(=O)NCc1ccc(nc1)O 240690a_100000757128_100011215815 [0,1,0,0,0,1|2,0,0]=4 2869 B14R1.679 NC(=O)C(=O)NNc1ccc(cc1)Br 22a_100000735608_100011215815 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.679 NC(=O)C(=O)NNc1ccc(cc1)Cl 22a_100000683521_100011215815 [0,1,0,0,0,1|2,0,0]=4 2871 B14R1.679 NC(=O)C(=O)NNc1ccc(cc1)F 22a_100000728448_100011215815 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.679 NC(=O)C(=O)NNc1ccc(cc1)I 22a_100016988836_100011215815 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.679 O=C(CCc1ccc(cc1)Br)C(O)O 1458a_100000233687_100011740612 [0,1,0,0,0,1|0,0,2]=4 2874 B14R1.679 O=C(CCc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100011713675 [0,1,0,0,0,1|0,0,2]=4 2875 B14R1.679 O=C(CCc1ccc(cc1)F)C(O)O 1458a_100000233687_100011217392 [0,1,0,0,0,1|0,0,2]=4 2876 B14R1.679 O=C(CCc1ccc(cc1)O)C(O)O 1458a_100000233687_100009816426 [0,1,0,0,0,1|0,0,2]=4 2877 B14R1.679 O=C(NCc1ccc(cc1)Br)C(O)O 240690a_100000174875_100000233687 [0,1,0,0,0,1|0,0,2]=4 2878 B14R1.679 O=C(NCc1ccc(cc1)Cl)C(O)O 240690a_100000174871_100000233687 [0,1,0,0,0,1|0,0,2]=4 2879 B14R1.679 O=C(NCc1ccc(cc1)F)C(O)O 240690a_100000174882_100000233687 [0,1,0,0,0,1|0,0,2]=4 2880 B14R1.679 O=C(NCc1ccc(cc1)I)C(O)O 240690a_100016989417_100000233687 [0,1,0,0,0,1|0,0,2]=4 2881 B14R1.679 O=C(NCc1ccc(cc1)O)C(O)O 240690a_100000185549_100000233687 [0,1,0,0,0,1|0,0,2]=4 2882 B14R1.756 C/C=C(\C)/C(=O)CCc1ccccc1 1458a_100020587367_100000765856 [0,1,0,0,0,1|2,0,0]=4 2883 B14R1.756 C/C=C(\C)/C(=O)NCc1ccccc1 11a_100015324214_100020587367 [0,1,0,0,0,1|2,0,0]=4 2884 B14R1.756 C/C=C(\C)/C(=O)NCc1ccccc1 1626a_100015324214_100020587367 [0,1,0,0,0,1|2,0,0]=4 2885 B14R1.756 C=C(CNc1ccccc1)C(=O)OC 34a_100000106764_100009813391 [0,1,0,0,0,1|1,0,0]=3 2886 B14R1.756 C=C(CO)C(=O)NNc1ccccc1 22a_100015195140_200000705526 [0,1,0,0,0,1|2,0,0]=4 2887 B14R1.756 C=C(COc1ccccc1)C(=O)OC 34a_100000210340_100009813391 [0,1,0,0,0,1|1,0,0]=3 2888 B14R1.756 C=C(COc1cccnc1)C(=O)OC 34a_100000210849_100009813391 [0,1,0,0,0,1|2,0,0]=4 2889 B14R1.756 C=C(COc1ccncc1)C(=O)OC 34a_100000212176_100009813391 [0,1,0,0,0,1|2,0,0]=4 2890 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100000719477_100009813391 [0,1,0,0,0,1|1,0,0]=3 2891 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100009813391_100000041952 [0,1,0,0,0,1|1,0,0]=3 2892 B14R1.756 C=C(CSc1ccccn1)C(=O)OC 62a_100009813391_100011216584 [0,1,0,0,0,1|2,0,0]=4 2893 B14R1.756 C=C(CSc1ccccn1)C(=O)OC 62a_100011216584_100009813391 [0,1,0,0,0,1|2,0,0]=4 2894 B14R1.756 C=C(CSc1cccnc1)C(=O)OC 62a_100000210063_100009813391 [0,1,0,0,0,1|2,0,0]=4 2895 B14R1.756 C=C(CSc1cccnc1)C(=O)OC 62a_100009813391_100000210063 [0,1,0,0,0,1|2,0,0]=4 2896 B14R1.756 C=C(CSc1ccncc1)C(=O)OC 62a_100000728582_100009813391 [0,1,0,0,0,1|2,0,0]=4 2897 B14R1.756 C=C(CSc1ccncc1)C(=O)OC 62a_100009813391_100000728582 [0,1,0,0,0,1|2,0,0]=4 2898 B14R1.756 CCC(O)C(=O)CCc1ccccc1 1458a_100011196387_100000765856 [0,1,0,0,0,1|1,0,1]=4 2899 B14R1.756 CCC(O)C(=O)NCc1ccccc1 240690a_100015324214_100011196387 [0,1,0,0,0,1|1,0,1]=4 2900 B14R1.756 CN(CCc1ccccc1)C(=O)CO 240690a_100000207497_100000210174 [0,1,0,0,0,1|2,0,0]=4 2901 B14R1.756 CN(CCc1ccccc1)C(=O)CO 527a_100000207497_100000210174 [0,1,0,0,0,1|2,0,0]=4 2902 B14R1.756 CNC(=O)C(=O)CCc1ccccc1 1458a_100011218921_100000765856 [0,1,0,0,0,1|1,0,0]=3 2903 B14R1.756 CNC(=O)C(=O)CCc1ccccn1 1458a_100011218921_100015183660 [0,1,0,0,0,1|2,0,0]=4 2904 B14R1.756 CNC(=O)C(=O)CCc1cccnc1 1458a_100011218921_200011713674 [0,1,0,0,0,1|2,0,0]=4 2905 B14R1.756 CNC(=O)C(=O)CCc1ccncc1 1458a_100011218921_100000723409 [0,1,0,0,0,1|2,0,0]=4 2906 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100011218921 [0,1,0,0,0,1|1,0,0]=3 2907 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011218921 [0,1,0,0,0,1|1,0,0]=3 2908 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 527a_100015324214_100011218921 [0,1,0,0,0,1|1,0,0]=3 2909 B14R1.756 CNC(=O)C(=O)NCc1ccccn1 1626a_100000210449_100011218921 [0,1,0,0,0,1|2,0,0]=4 2910 B14R1.756 CNC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100011218921 [0,1,0,0,0,1|2,0,0]=4 2911 B14R1.756 CNC(=O)C(=O)NCc1ccccn1 527a_100000210449_100011218921 [0,1,0,0,0,1|2,0,0]=4 2912 B14R1.756 CNC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100011218921 [0,1,0,0,0,1|2,0,0]=4 2913 B14R1.756 CNC(=O)C(=O)NCc1cccnc1 527a_100000210453_100011218921 [0,1,0,0,0,1|2,0,0]=4 2914 B14R1.756 CNC(=O)C(=O)NCc1ccncc1 1626a_100000210450_100011218921 [0,1,0,0,0,1|2,0,0]=4 2915 B14R1.756 CNC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100011218921 [0,1,0,0,0,1|2,0,0]=4 2916 B14R1.756 CNC(=O)C(=O)NCc1ccncc1 527a_100000210450_100011218921 [0,1,0,0,0,1|2,0,0]=4 2917 B14R1.756 CNC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011218921 [0,1,0,0,0,1|2,0,0]=4 2918 B14R1.756 COC(=O)C(=NNc1ccccc1)C 4a_100015195140_100000211753 [0,1,0,0,0,1|2,0,0]=4 2919 B14R1.756 COC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011610305 [0,1,0,0,0,1|0,0,0]=2 2920 B14R1.756 COC(=O)C(=O)COc1ccccc1 34a_100000210340_100011610305 [0,1,0,0,0,1|0,0,0]=2 2921 B14R1.756 COC(=O)C(=O)COc1cccnc1 34a_100000210849_100011610305 [0,1,0,0,0,1|1,0,0]=3 2922 B14R1.756 COC(=O)C(=O)COc1ccncc1 34a_100000212176_100011610305 [0,1,0,0,0,1|1,0,0]=3 2923 B14R1.756 COC(=O)C(=O)COc1ccnnc1 34a_100015204005_100011610305 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011610305 [0,1,0,0,0,1|0,0,0]=2 2925 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100011610305_100000041952 [0,1,0,0,0,1|0,0,0]=2 2926 B14R1.756 COC(=O)C(=O)CSc1ccccn1 62a_100011216584_100011610305 [0,1,0,0,0,1|1,0,0]=3 2927 B14R1.756 COC(=O)C(=O)CSc1ccccn1 62a_100011610305_100011216584 [0,1,0,0,0,1|1,0,0]=3 2928 B14R1.756 COC(=O)C(=O)CSc1cccnc1 62a_100000210063_100011610305 [0,1,0,0,0,1|1,0,0]=3 2929 B14R1.756 COC(=O)C(=O)CSc1cccnc1 62a_100011610305_100000210063 [0,1,0,0,0,1|1,0,0]=3 2930 B14R1.756 COC(=O)C(=O)CSc1cccnn1 62a_100011610305_100016991348 [0,1,0,0,0,1|2,0,0]=4 2931 B14R1.756 COC(=O)C(=O)CSc1cccnn1 62a_100016991348_100011610305 [0,1,0,0,0,1|2,0,0]=4 2932 B14R1.756 COC(=O)C(=O)CSc1ccncc1 62a_100000728582_100011610305 [0,1,0,0,0,1|1,0,0]=3 2933 B14R1.756 COC(=O)C(=O)CSc1ccncc1 62a_100011610305_100000728582 [0,1,0,0,0,1|1,0,0]=3 2934 B14R1.756 COC(=O)C(=O)CSc1ccncn1 62a_100000703185_100011610305 [0,1,0,0,0,1|2,0,0]=4 2935 B14R1.756 COC(=O)C(=O)CSc1ccncn1 62a_100011610305_100000703185 [0,1,0,0,0,1|2,0,0]=4 2936 B14R1.756 COC(=O)C(=O)CSc1ccnnc1 62a_100000732662_100011610305 [0,1,0,0,0,1|2,0,0]=4 2937 B14R1.756 COC(=O)C(=O)CSc1ccnnc1 62a_100011610305_100000732662 [0,1,0,0,0,1|2,0,0]=4 2938 B14R1.756 COC(=O)C(=O)CSc1cnccn1 62a_100000211759_100011610305 [0,1,0,0,0,1|2,0,0]=4 2939 B14R1.756 COC(=O)C(=O)CSc1cnccn1 62a_100011610305_100000211759 [0,1,0,0,0,1|2,0,0]=4 2940 B14R1.756 COC(=O)C(=O)CSc1cncnc1 62a_100011206942_100011610305 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.756 COC(=O)C(=O)CSc1cncnc1 62a_100011610305_100011206942 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.756 COC(=O)C(=O)CSc1ncccn1 62a_100000211032_100011610305 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.756 COC(=O)C(=O)CSc1ncccn1 62a_100011610305_100000211032 [0,1,0,0,0,1|2,0,0]=4 2944 B14R1.756 COC(=O)C(=O)NCc1ccccc1 11a_100015324214_100000024059 [0,1,0,0,0,1|0,0,0]=2 2945 B14R1.756 COC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100000024059 [0,1,0,0,0,1|0,0,0]=2 2946 B14R1.756 COC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100000024059 [0,1,0,0,0,1|0,0,0]=2 2947 B14R1.756 COC(=O)C(=O)NCc1ccccc1 527a_100015324214_100000024059 [0,1,0,0,0,1|0,0,0]=2 2948 B14R1.756 COC(=O)C(=O)NCc1ccccn1 11a_100000210449_100000024059 [0,1,0,0,0,1|1,0,0]=3 2949 B14R1.756 COC(=O)C(=O)NCc1ccccn1 1626a_100000210449_100000024059 [0,1,0,0,0,1|1,0,0]=3 2950 B14R1.756 COC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100000024059 [0,1,0,0,0,1|1,0,0]=3 2951 B14R1.756 COC(=O)C(=O)NCc1ccccn1 527a_100000210449_100000024059 [0,1,0,0,0,1|1,0,0]=3 2952 B14R1.756 COC(=O)C(=O)NCc1cccnc1 11a_100000210453_100000024059 [0,1,0,0,0,1|1,0,0]=3 2953 B14R1.756 COC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100000024059 [0,1,0,0,0,1|1,0,0]=3 2954 B14R1.756 COC(=O)C(=O)NCc1cccnc1 527a_100000210453_100000024059 [0,1,0,0,0,1|1,0,0]=3 2955 B14R1.756 COC(=O)C(=O)NCc1cccnn1 11a_100159270163_100000024059 [0,1,0,0,0,1|2,0,0]=4 2956 B14R1.756 COC(=O)C(=O)NCc1cccnn1 240690a_100159270163_100000024059 [0,1,0,0,0,1|2,0,0]=4 2957 B14R1.756 COC(=O)C(=O)NCc1cccnn1 527a_100159270163_100000024059 [0,1,0,0,0,1|2,0,0]=4 2958 B14R1.756 COC(=O)C(=O)NCc1ccncc1 11a_100000210450_100000024059 [0,1,0,0,0,1|1,0,0]=3 2959 B14R1.756 COC(=O)C(=O)NCc1ccncc1 1626a_100000210450_100000024059 [0,1,0,0,0,1|1,0,0]=3 2960 B14R1.756 COC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100000024059 [0,1,0,0,0,1|1,0,0]=3 2961 B14R1.756 COC(=O)C(=O)NCc1ccncc1 527a_100000210450_100000024059 [0,1,0,0,0,1|1,0,0]=3 2962 B14R1.756 COC(=O)C(=O)NCc1ccncn1 11a_100000736019_100000024059 [0,1,0,0,0,1|2,0,0]=4 2963 B14R1.756 COC(=O)C(=O)NCc1ccncn1 240690a_100000736019_100000024059 [0,1,0,0,0,1|2,0,0]=4 2964 B14R1.756 COC(=O)C(=O)NCc1ccncn1 527a_100000736019_100000024059 [0,1,0,0,0,1|2,0,0]=4 2965 B14R1.756 COC(=O)C(=O)NCc1cnccn1 11a_100000737960_100000024059 [0,1,0,0,0,1|2,0,0]=4 2966 B14R1.756 COC(=O)C(=O)NCc1cnccn1 240690a_100000737960_100000024059 [0,1,0,0,0,1|2,0,0]=4 2967 B14R1.756 COC(=O)C(=O)NCc1cnccn1 527a_100000737960_100000024059 [0,1,0,0,0,1|2,0,0]=4 2968 B14R1.756 COC(=O)C(=O)NCc1cncnc1 11a_100011243677_100000024059 [0,1,0,0,0,1|2,0,0]=4 2969 B14R1.756 COC(=O)C(=O)NCc1cncnc1 240690a_100011243677_100000024059 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.756 COC(=O)C(=O)NCc1cncnc1 527a_100011243677_100000024059 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.756 COC(=O)C(=O)NCc1ncccn1 11a_100015189908_100000024059 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.756 COC(=O)C(=O)NCc1ncccn1 240690a_100015189908_100000024059 [0,1,0,0,0,1|2,0,0]=4 2973 B14R1.756 COC(=O)C(=O)NCc1ncccn1 527a_100015189908_100000024059 [0,1,0,0,0,1|2,0,0]=4 2974 B14R1.756 COC(=O)C(C)CNc1ccccc1 34a_100000106764_100000698445 [0,1,0,0,0,1|1,0,1]=4 2975 B14R1.756 COC(=O)C(C)COc1ccccc1 34a_100000210340_100000698445 [0,1,0,0,0,1|1,0,1]=4 2976 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000698445_100000041952 [0,1,0,0,0,1|1,0,1]=4 2977 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000719477_100000698445 [0,1,0,0,0,1|1,0,1]=4 2978 B14R1.756 COC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000211248 [0,1,0,0,0,1|1,0,1]=4 2979 B14R1.756 COC(=O)C(C)NCc1ccccc1 34a_100015324214_100000211248 [0,1,0,0,0,1|1,0,1]=4 2980 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100000210790_100000211248 [0,1,0,0,0,1|1,0,1]=4 2981 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100011215400_100015291786 [0,1,0,0,0,1|1,0,1]=4 2982 B14R1.756 COC(=O)C(C)OCc1ccccc1 7a_100000210790_100000211248 [0,1,0,0,0,1|1,0,1]=4 2983 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211182_100000211248 [0,1,0,0,0,1|1,0,1]=4 2984 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211248_100015291786 [0,1,0,0,0,1|1,0,1]=4 2985 B14R1.756 COC(C)C(=O)CCc1ccccc1 1458a_100000743197_100000765856 [0,1,0,0,0,1|1,0,1]=4 2986 B14R1.756 COC(C)C(=O)NCc1ccccc1 11a_100015324214_100000743197 [0,1,0,0,0,1|1,0,1]=4 2987 B14R1.756 COC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000743197 [0,1,0,0,0,1|1,0,1]=4 2988 B14R1.756 COC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000743197 [0,1,0,0,0,1|1,0,1]=4 2989 B14R1.756 COC(C)C(=O)NCc1ccccc1 34a_100138415774_200011934207 [0,1,0,0,0,1|1,0,1]=4 2990 B14R1.756 COC(C)C(=O)NCc1ccccc1 527a_100015324214_100000743197 [0,1,0,0,0,1|1,0,1]=4 2991 B14R1.756 COC(F)C(=O)OCc1ccccc1 34a_100138415774_100000036447 [0,1,0,0,0,1|1,0,1]=4 2992 B14R1.756 CON(C)C(=O)COc1ccccc1 7a_100000210340_100000764215 [0,1,0,0,0,1|2,0,0]=4 2993 B14R1.756 CON(C)C(=O)CSc1ccccc1 62a_100000719477_100000764215 [0,1,0,0,0,1|2,0,0]=4 2994 B14R1.756 CON(C)C(=O)CSc1ccccc1 62a_100000764215_100000041952 [0,1,0,0,0,1|2,0,0]=4 2995 B14R1.756 CO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_200000210301 [0,1,0,0,0,1|1,0,1]=4 2996 B14R1.756 C[C@H](O[13CH3])C(=O)OCc1ccccc1 7a_100016105899_200025704644 [0,1,0,0,0,1|1,0,1]=4 2997 B14R1.756 O=C(CCc1ccccc1)C(O)CO 1458a_100011215603_100000765856 [0,1,0,0,0,1|0,0,2]=4 2998 B14R1.756 O=C(NCc1ccccc1)C(O)CO 240690a_100015324214_100011215603 [0,1,0,0,0,1|0,0,2]=4 2999 B14R1.3099 CC(C)(O)C(=O)CCc1ccccc1 1458a_100000242741_100000765856 [0,1,0,0,0,1|1,0,1]=4 3000 B14R1.3099 CC(C)(O)C(=O)NCc1ccccc1 240690a_100015324214_100000242741 [0,1,0,0,0,1|1,0,1]=4 3001 B14R1.4194 C=C[C@H](NCc1ccccc1)C(=O)O 269956a_100016992060_100015291786 [0,1,0,0,0,1|1,0,1]=4 3002 B14R1.4194 CC[C@@H](NCc1ccccc1)C(=O)O 269956a_100000747097_100015291786 [0,1,0,0,0,1|1,0,1]=4 3003 B14R1.4194 CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_200000210301 [0,1,0,0,0,1|1,0,1]=4 3004 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 269956a_100000187304_100015291786 [0,1,0,0,0,1|0,0,2]=4 3005 B14R1.4194 [13CH3]NC(CCc1ccccc1)C(=O)O 269956a_100000701298_200025704644 [0,1,0,0,0,1|1,0,1]=4 3006 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)Br 11a_100000174977_100009813364 [0,1,0,0,0,1|2,0,0]=4 3007 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)Br 1626a_100000174977_100009813364 [0,1,0,0,0,1|2,0,0]=4 3008 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)C 11a_100000185548_100009813364 [0,1,0,0,0,1|2,0,0]=4 3009 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)C 1626a_100000185548_100009813364 [0,1,0,0,0,1|2,0,0]=4 3010 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)Cl 11a_100000174878_100009813364 [0,1,0,0,0,1|2,0,0]=4 3011 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)Cl 1626a_100000174878_100009813364 [0,1,0,0,0,1|2,0,0]=4 3012 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)F 11a_100000174948_100009813364 [0,1,0,0,0,1|2,0,0]=4 3013 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)F 1626a_100000174948_100009813364 [0,1,0,0,0,1|2,0,0]=4 3014 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)I 11a_100000106179_100009813364 [0,1,0,0,0,1|2,0,0]=4 3015 B14R1.5956 C=C(Br)C(=O)NCc1cccc(c1)I 1626a_100000106179_100009813364 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.5956 C=C(C)C(=O)CCc1cccc(c1)Br 1458a_100000185857_100011740638 [0,1,0,0,0,1|2,0,0]=4 3017 B14R1.5956 C=C(C)C(=O)CCc1cccc(c1)C 1458a_100000185857_100011713685 [0,1,0,0,0,1|2,0,0]=4 3018 B14R1.5956 C=C(C)C(=O)CCc1cccc(c1)Cl 1458a_100000185857_100011713710 [0,1,0,0,0,1|2,0,0]=4 3019 B14R1.5956 C=C(C)C(=O)CCc1cccc(c1)F 1458a_100000185857_100011217235 [0,1,0,0,0,1|2,0,0]=4 3020 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)Br 11a_100000174977_100000185857 [0,1,0,0,0,1|2,0,0]=4 3021 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)Br 1626a_100000174977_100000185857 [0,1,0,0,0,1|2,0,0]=4 3022 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)C 11a_100000185548_100000185857 [0,1,0,0,0,1|2,0,0]=4 3023 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)C 1626a_100000185548_100000185857 [0,1,0,0,0,1|2,0,0]=4 3024 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)Cl 11a_100000174878_100000185857 [0,1,0,0,0,1|2,0,0]=4 3025 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000185857 [0,1,0,0,0,1|2,0,0]=4 3026 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)F 11a_100000174948_100000185857 [0,1,0,0,0,1|2,0,0]=4 3027 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)F 1626a_100000174948_100000185857 [0,1,0,0,0,1|2,0,0]=4 3028 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)I 11a_100000106179_100000185857 [0,1,0,0,0,1|2,0,0]=4 3029 B14R1.5956 C=C(C)C(=O)NCc1cccc(c1)I 1626a_100000106179_100000185857 [0,1,0,0,0,1|2,0,0]=4 3030 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)Br 11a_100000174977_100000039160 [0,1,0,0,0,1|2,0,0]=4 3031 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)Br 1626a_100000174977_100000039160 [0,1,0,0,0,1|2,0,0]=4 3032 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)C 11a_100000185548_100000039160 [0,1,0,0,0,1|2,0,0]=4 3033 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)C 1626a_100000185548_100000039160 [0,1,0,0,0,1|2,0,0]=4 3034 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)Cl 11a_100000174878_100000039160 [0,1,0,0,0,1|2,0,0]=4 3035 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000039160 [0,1,0,0,0,1|2,0,0]=4 3036 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)F 11a_100000174948_100000039160 [0,1,0,0,0,1|2,0,0]=4 3037 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)F 1626a_100000174948_100000039160 [0,1,0,0,0,1|2,0,0]=4 3038 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)I 11a_100000106179_100000039160 [0,1,0,0,0,1|2,0,0]=4 3039 B14R1.5956 C=C(Cl)C(=O)NCc1cccc(c1)I 1626a_100000106179_100000039160 [0,1,0,0,0,1|2,0,0]=4 3040 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)Br 11a_100000174977_100000036797 [0,1,0,0,0,1|2,0,0]=4 3041 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)Br 1626a_100000174977_100000036797 [0,1,0,0,0,1|2,0,0]=4 3042 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)C 11a_100000185548_100000036797 [0,1,0,0,0,1|2,0,0]=4 3043 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)C 1626a_100000185548_100000036797 [0,1,0,0,0,1|2,0,0]=4 3044 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)Cl 11a_100000174878_100000036797 [0,1,0,0,0,1|2,0,0]=4 3045 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000036797 [0,1,0,0,0,1|2,0,0]=4 3046 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)F 11a_100000174948_100000036797 [0,1,0,0,0,1|2,0,0]=4 3047 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)F 1626a_100000174948_100000036797 [0,1,0,0,0,1|2,0,0]=4 3048 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)I 11a_100000106179_100000036797 [0,1,0,0,0,1|2,0,0]=4 3049 B14R1.5956 C=C(F)C(=O)NCc1cccc(c1)I 1626a_100000106179_100000036797 [0,1,0,0,0,1|2,0,0]=4 3050 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)Br 34a_100000210019_100011261029 [0,1,0,0,0,1|1,0,0]=3 3051 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)C 34a_100000188690_100011261029 [0,1,0,0,0,1|1,0,0]=3 3052 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)Cl 34a_100000185859_100011261029 [0,1,0,0,0,1|1,0,0]=3 3053 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)F 34a_100000210047_100011261029 [0,1,0,0,0,1|1,0,0]=3 3054 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)I 34a_100000211102_100011261029 [0,1,0,0,0,1|1,0,0]=3 3055 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)O 34a_100000210217_100011261029 [0,1,0,0,0,1|1,0,0]=3 3056 B14R1.5956 CC(=O)C(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100011261029 [0,1,0,0,0,1|2,0,0]=4 3057 B14R1.5956 CC(=O)C(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011261029 [0,1,0,0,0,1|2,0,0]=4 3058 B14R1.5956 CC(=O)C(=O)COc1cccc(=O)[nH]1 34a_100000033347_100011261029 [0,1,0,0,0,1|2,0,0]=4 3059 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)Br 34a_100000210342_100011261029 [0,1,0,0,0,1|1,0,0]=3 3060 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)C 34a_100000210337_100011261029 [0,1,0,0,0,1|1,0,0]=3 3061 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)Cl 34a_100000210295_100011261029 [0,1,0,0,0,1|1,0,0]=3 3062 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)F 34a_100000210426_100011261029 [0,1,0,0,0,1|1,0,0]=3 3063 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)I 34a_100000211634_100011261029 [0,1,0,0,0,1|1,0,0]=3 3064 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)N 34a_100000210217_100011261029 [0,1,0,0,0,1|1,0,0]=3 3065 B14R1.5956 CC(=O)C(=O)COc1cccc(n1)F 34a_100011432558_100011261029 [0,1,0,0,0,1|2,0,0]=4 3066 B14R1.5956 CC(=O)C(=O)COc1ccnc(c1)C 34a_100000688365_100011261029 [0,1,0,0,0,1|2,0,0]=4 3067 B14R1.5956 CC(=O)C(=O)COc1ccnc(c1)Cl 34a_100000762945_100011261029 [0,1,0,0,0,1|2,0,0]=4 3068 B14R1.5956 CC(=O)C(=O)COc1ccnc(c1)F 34a_100000732698_100011261029 [0,1,0,0,0,1|2,0,0]=4 3069 B14R1.5956 CC(=O)C(=O)COc1ccnc(c1)N 34a_100011834064_100011261029 [0,1,0,0,0,1|2,0,0]=4 3070 B14R1.5956 CC(=O)C(=O)COc1cncc(c1)Br 34a_100000754920_100011261029 [0,1,0,0,0,1|2,0,0]=4 3071 B14R1.5956 CC(=O)C(=O)COc1cncc(c1)C 34a_100011830280_100011261029 [0,1,0,0,0,1|2,0,0]=4 3072 B14R1.5956 CC(=O)C(=O)COc1cncc(c1)F 34a_100011830296_100011261029 [0,1,0,0,0,1|2,0,0]=4 3073 B14R1.5956 CC(=O)C(=O)COc1cncc(c1)N 34a_100011997051_100011261029 [0,1,0,0,0,1|2,0,0]=4 3074 B14R1.5956 CC(=O)C(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011261029 [0,1,0,0,0,1|2,0,0]=4 3075 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)C 62a_100000750283_100011261029 [0,1,0,0,0,1|2,0,0]=4 3076 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)C 62a_100011261029_100000750283 [0,1,0,0,0,1|2,0,0]=4 3077 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)Cl 62a_100010167805_100011261029 [0,1,0,0,0,1|2,0,0]=4 3078 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)Cl 62a_100011261029_100010167805 [0,1,0,0,0,1|2,0,0]=4 3079 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)F 62a_100000764206_100011261029 [0,1,0,0,0,1|2,0,0]=4 3080 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)F 62a_100011261029_100000764206 [0,1,0,0,0,1|2,0,0]=4 3081 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)N 62a_100009814236_100011261029 [0,1,0,0,0,1|2,0,0]=4 3082 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)N 62a_100011261029_100009814236 [0,1,0,0,0,1|2,0,0]=4 3083 B14R1.5956 CC(=O)C(=O)CSc1cc(ccn1)O 62a_100011261029_100000762945 [0,1,0,0,0,1|2,0,0]=4 3084 B14R1.5956 CC(=O)C(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100011261029 [0,1,0,0,0,1|2,0,0]=4 3085 B14R1.5956 CC(=O)C(=O)CSc1cc[nH]c(=O)c1 62a_100011261029_100009816521 [0,1,0,0,0,1|2,0,0]=4 3086 B14R1.5956 CC(=O)C(=O)CSc1ccc[n+](c1)C 62a_100009996589_100011261029 [0,1,0,0,0,1|2,0,0]=4 3087 B14R1.5956 CC(=O)C(=O)CSc1ccc[n+](c1)C 62a_100011261029_100009996589 [0,1,0,0,0,1|2,0,0]=4 3088 B14R1.5956 CC(=O)C(=O)CSc1ccc[n+](c1)[O-] 62a_100011261029_100009815978 [0,1,0,0,0,1|2,0,0]=4 3089 B14R1.5956 CC(=O)C(=O)CSc1cccc(=O)[nH]1 62a_100011261029_100000752884 [0,1,0,0,0,1|2,0,0]=4 3090 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)Br 62a_100000691529_100011261029 [0,1,0,0,0,1|1,0,0]=3 3091 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)Br 62a_100011261029_100000691529 [0,1,0,0,0,1|1,0,0]=3 3092 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)C 62a_100011215228_100011261029 [0,1,0,0,0,1|1,0,0]=3 3093 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)C 62a_100011261029_100011215228 [0,1,0,0,0,1|1,0,0]=3 3094 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)Cl 62a_100000699651_100011261029 [0,1,0,0,0,1|1,0,0]=3 3095 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)Cl 62a_100011261029_100000699651 [0,1,0,0,0,1|1,0,0]=3 3096 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)F 62a_100000685547_100011261029 [0,1,0,0,0,1|1,0,0]=3 3097 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)F 62a_100011261029_100000685547 [0,1,0,0,0,1|1,0,0]=3 3098 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)N 62a_100000210019_100011261029 [0,1,0,0,0,1|1,0,0]=3 3099 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)N 62a_100011261029_100000210019 [0,1,0,0,0,1|1,0,0]=3 3100 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)O 62a_100011261029_100000211634 [0,1,0,0,0,1|1,0,0]=3 3101 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)[S] 62a_100011261029_114929384022 [0,1,0,0,0,1|1,0,0]=3 3102 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)[S] 62a_114929384022_100011261029 [0,1,0,0,0,1|1,0,0]=3 3103 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)Br 62a_100000684672_100011261029 [0,1,0,0,0,1|2,0,0]=4 3104 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)Br 62a_100011261029_100000684672 [0,1,0,0,0,1|2,0,0]=4 3105 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)C 62a_100000742759_100011261029 [0,1,0,0,0,1|2,0,0]=4 3106 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)C 62a_100011261029_100000742759 [0,1,0,0,0,1|2,0,0]=4 3107 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)Cl 62a_100000051397_100011261029 [0,1,0,0,0,1|2,0,0]=4 3108 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)Cl 62a_100011261029_100000051397 [0,1,0,0,0,1|2,0,0]=4 3109 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)F 62a_100009815982_100011261029 [0,1,0,0,0,1|2,0,0]=4 3110 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)F 62a_100011261029_100009815982 [0,1,0,0,0,1|2,0,0]=4 3111 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)N 62a_100000740741_100011261029 [0,1,0,0,0,1|2,0,0]=4 3112 B14R1.5956 CC(=O)C(=O)CSc1cccc(n1)N 62a_100011261029_100000740741 [0,1,0,0,0,1|2,0,0]=4 3113 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)Br 62a_100009814637_100011261029 [0,1,0,0,0,1|2,0,0]=4 3114 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)Br 62a_100011261029_100009814637 [0,1,0,0,0,1|2,0,0]=4 3115 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)C 62a_100000758586_100011261029 [0,1,0,0,0,1|2,0,0]=4 3116 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)C 62a_100011261029_100000758586 [0,1,0,0,0,1|2,0,0]=4 3117 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)Cl 62a_100000035001_100011261029 [0,1,0,0,0,1|2,0,0]=4 3118 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)Cl 62a_100011261029_100000035001 [0,1,0,0,0,1|2,0,0]=4 3119 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)F 62a_100009816116_100011261029 [0,1,0,0,0,1|2,0,0]=4 3120 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)F 62a_100011261029_100009816116 [0,1,0,0,0,1|2,0,0]=4 3121 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)N 62a_100000049665_100011261029 [0,1,0,0,0,1|2,0,0]=4 3122 B14R1.5956 CC(=O)C(=O)CSc1ccnc(c1)N 62a_100011261029_100000049665 [0,1,0,0,0,1|2,0,0]=4 3123 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)Br 62a_100000728054_100011261029 [0,1,0,0,0,1|2,0,0]=4 3124 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)Br 62a_100011261029_100000728054 [0,1,0,0,0,1|2,0,0]=4 3125 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)C 62a_100000760492_100011261029 [0,1,0,0,0,1|2,0,0]=4 3126 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)C 62a_100011261029_100000760492 [0,1,0,0,0,1|2,0,0]=4 3127 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)Cl 62a_100000049639_100011261029 [0,1,0,0,0,1|2,0,0]=4 3128 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)Cl 62a_100011261029_100000049639 [0,1,0,0,0,1|2,0,0]=4 3129 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)F 62a_100000744099_100011261029 [0,1,0,0,0,1|2,0,0]=4 3130 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)F 62a_100011261029_100000744099 [0,1,0,0,0,1|2,0,0]=4 3131 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)N 62a_100000687067_100011261029 [0,1,0,0,0,1|2,0,0]=4 3132 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)N 62a_100011261029_100000687067 [0,1,0,0,0,1|2,0,0]=4 3133 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)O 62a_100000754920_100011261029 [0,1,0,0,0,1|2,0,0]=4 3134 B14R1.5956 CC(=O)C(=O)CSc1cncc(c1)O 62a_100011261029_100000754920 [0,1,0,0,0,1|2,0,0]=4 3135 B14R1.5956 C[C@@H](O)C(=O)CCc1cccc(c1)Br 1458a_100000717761_100011740638 [0,1,0,0,0,1|1,0,1]=4 3136 B14R1.5956 C[C@@H](O)C(=O)CCc1cccc(c1)Cl 1458a_100000717761_100011713710 [0,1,0,0,0,1|1,0,1]=4 3137 B14R1.5956 C[C@@H](O)C(=O)CCc1cccc(c1)F 1458a_100000717761_100011217235 [0,1,0,0,0,1|1,0,1]=4 3138 B14R1.5956 C[C@@H](O)C(=O)NCc1cccc(c1)Br 240690a_100000174977_100000717761 [0,1,0,0,0,1|1,0,1]=4 3139 B14R1.5956 C[C@@H](O)C(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000717761 [0,1,0,0,0,1|1,0,1]=4 3140 B14R1.5956 C[C@@H](O)C(=O)NCc1cccc(c1)F 240690a_100000174948_100000717761 [0,1,0,0,0,1|1,0,1]=4 3141 B14R1.5956 C[C@@H](O)C(=O)NCc1cccc(c1)I 240690a_100000106179_100000717761 [0,1,0,0,0,1|1,0,1]=4 3142 B14R1.5956 C[C@@H](O)C(=O)NCc1cccc(c1)O 240690a_100000743036_100000717761 [0,1,0,0,0,1|1,0,1]=4 3143 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,1,0,0,0,1|1,0,1]=4 3144 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,1,0,0,0,1|1,0,1]=4 3145 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,1,0,0,0,1|1,0,1]=4 3146 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,1,0,0,0,1|1,0,1]=4 3147 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,1,0,0,0,1|1,0,1]=4 3148 B14R1.5956 C[C@H](O)C(=O)CCc1cccc(c1)Br 1458a_217856618621_100011740638 [0,1,0,0,0,1|1,0,1]=4 3149 B14R1.5956 C[C@H](O)C(=O)CCc1cccc(c1)Cl 1458a_217856618621_100011713710 [0,1,0,0,0,1|1,0,1]=4 3150 B14R1.5956 C[C@H](O)C(=O)CCc1cccc(c1)F 1458a_217856618621_100011217235 [0,1,0,0,0,1|1,0,1]=4 3151 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)Br 1626a_100000174977_217856618621 [0,1,0,0,0,1|1,0,1]=4 3152 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)Br 240690a_100000174977_217856618621 [0,1,0,0,0,1|1,0,1]=4 3153 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)Cl 1626a_100000174878_217856618621 [0,1,0,0,0,1|1,0,1]=4 3154 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)Cl 240690a_100000174878_217856618621 [0,1,0,0,0,1|1,0,1]=4 3155 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)F 1626a_100000174948_217856618621 [0,1,0,0,0,1|1,0,1]=4 3156 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)F 240690a_100000174948_217856618621 [0,1,0,0,0,1|1,0,1]=4 3157 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)I 1626a_100000106179_217856618621 [0,1,0,0,0,1|1,0,1]=4 3158 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)I 240690a_100000106179_217856618621 [0,1,0,0,0,1|1,0,1]=4 3159 B14R1.5956 C[C@H](O)C(=O)NCc1cccc(c1)O 240690a_100000743036_217856618621 [0,1,0,0,0,1|1,0,1]=4 3160 B14R1.5956 Cc1cc(ccn1)CNC(=O)C(=O)N 240690a_100011934566_100011215815 [0,1,0,0,0,1|2,0,0]=4 3161 B14R1.5956 Cc1cccc(c1)CCC(=O)C(O)O 1458a_100000233687_100011713685 [0,1,0,0,0,1|0,0,2]=4 3162 B14R1.5956 Cc1cccc(c1)CCC(=O)[C@@H](C)O 1458a_100000717761_100011713685 [0,1,0,0,0,1|1,0,1]=4 3163 B14R1.5956 Cc1cccc(c1)CCC(=O)[C@H](C)O 1458a_217856618621_100011713685 [0,1,0,0,0,1|1,0,1]=4 3164 B14R1.5956 Cc1cccc(c1)CNC(=O)C(=O)N 240690a_100000185548_100011215815 [0,1,0,0,0,1|1,0,0]=3 3165 B14R1.5956 Cc1cccc(c1)CNC(=O)C(O)O 240690a_100000185548_100000233687 [0,1,0,0,0,1|0,0,2]=4 3166 B14R1.5956 Cc1cccc(c1)CNC(=O)[C@@H](C)O 240690a_100000185548_100000717761 [0,1,0,0,0,1|1,0,1]=4 3167 B14R1.5956 Cc1cccc(c1)CNC(=O)[C@H](C)O 1626a_100000185548_217856618621 [0,1,0,0,0,1|1,0,1]=4 3168 B14R1.5956 Cc1cccc(c1)CNC(=O)[C@H](C)O 240690a_100000185548_217856618621 [0,1,0,0,0,1|1,0,1]=4 3169 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,1,0,0,0,1|1,0,1]=4 3170 B14R1.5956 Cc1cccc(c1)NNC(=O)C(=O)N 22a_100000681630_100011215815 [0,1,0,0,0,1|2,0,0]=4 3171 B14R1.5956 Cc1cccc(n1)CNC(=O)C(=O)N 240690a_100000701342_100011215815 [0,1,0,0,0,1|2,0,0]=4 3172 B14R1.5956 Cc1ccnc(c1)CNC(=O)C(=O)N 240690a_100011934573_100011215815 [0,1,0,0,0,1|2,0,0]=4 3173 B14R1.5956 Cc1cncc(c1)CNC(=O)C(=O)N 240690a_100000692839_100011215815 [0,1,0,0,0,1|2,0,0]=4 3174 B14R1.5956 NC(=O)C(=O)NCc1cc(ccn1)Br 240690a_100009818019_100011215815 [0,1,0,0,0,1|2,0,0]=4 3175 B14R1.5956 NC(=O)C(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100011215815 [0,1,0,0,0,1|2,0,0]=4 3176 B14R1.5956 NC(=O)C(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100011215815 [0,1,0,0,0,1|2,0,0]=4 3177 B14R1.5956 NC(=O)C(=O)NCc1cccc(c1)Br 240690a_100000174977_100011215815 [0,1,0,0,0,1|1,0,0]=3 3178 B14R1.5956 NC(=O)C(=O)NCc1cccc(c1)Cl 240690a_100000174878_100011215815 [0,1,0,0,0,1|1,0,0]=3 3179 B14R1.5956 NC(=O)C(=O)NCc1cccc(c1)F 240690a_100000174948_100011215815 [0,1,0,0,0,1|1,0,0]=3 3180 B14R1.5956 NC(=O)C(=O)NCc1cccc(c1)I 240690a_100000106179_100011215815 [0,1,0,0,0,1|1,0,0]=3 3181 B14R1.5956 NC(=O)C(=O)NCc1cccc(c1)O 240690a_100000743036_100011215815 [0,1,0,0,0,1|1,0,0]=3 3182 B14R1.5956 NC(=O)C(=O)NCc1cccc(n1)Br 240690a_100016987751_100011215815 [0,1,0,0,0,1|2,0,0]=4 3183 B14R1.5956 NC(=O)C(=O)NCc1cccc(n1)Cl 240690a_100016990191_100011215815 [0,1,0,0,0,1|2,0,0]=4 3184 B14R1.5956 NC(=O)C(=O)NCc1cccc(n1)F 240690a_100015188798_100011215815 [0,1,0,0,0,1|2,0,0]=4 3185 B14R1.5956 NC(=O)C(=O)NCc1ccnc(c1)Br 240690a_100025757509_100011215815 [0,1,0,0,0,1|2,0,0]=4 3186 B14R1.5956 NC(=O)C(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100011215815 [0,1,0,0,0,1|2,0,0]=4 3187 B14R1.5956 NC(=O)C(=O)NCc1ccnc(c1)F 240690a_100015188774_100011215815 [0,1,0,0,0,1|2,0,0]=4 3188 B14R1.5956 NC(=O)C(=O)NCc1ccnc(c1)O 240690a_100000748557_100011215815 [0,1,0,0,0,1|2,0,0]=4 3189 B14R1.5956 NC(=O)C(=O)NCc1cncc(c1)Br 240690a_100011249555_100011215815 [0,1,0,0,0,1|2,0,0]=4 3190 B14R1.5956 NC(=O)C(=O)NCc1cncc(c1)Cl 240690a_200020614424_100011215815 [0,1,0,0,0,1|2,0,0]=4 3191 B14R1.5956 NC(=O)C(=O)NCc1cncc(c1)F 240690a_100011962886_100011215815 [0,1,0,0,0,1|2,0,0]=4 3192 B14R1.5956 NC(=O)C(=O)NNc1cccc(c1)Br 22a_100000217339_100011215815 [0,1,0,0,0,1|2,0,0]=4 3193 B14R1.5956 NC(=O)C(=O)NNc1cccc(c1)Cl 22a_100000184277_100011215815 [0,1,0,0,0,1|2,0,0]=4 3194 B14R1.5956 NC(=O)C(=O)NNc1cccc(c1)F 22a_100000745080_100011215815 [0,1,0,0,0,1|2,0,0]=4 3195 B14R1.5956 NC(=O)C(=O)NNc1cccc(c1)I 22a_100020605690_100011215815 [0,1,0,0,0,1|2,0,0]=4 3196 B14R1.5956 O=C(CCc1cccc(c1)Br)C(O)O 1458a_100000233687_100011740638 [0,1,0,0,0,1|0,0,2]=4 3197 B14R1.5956 O=C(CCc1cccc(c1)Cl)C(O)O 1458a_100000233687_100011713710 [0,1,0,0,0,1|0,0,2]=4 3198 B14R1.5956 O=C(CCc1cccc(c1)F)C(O)O 1458a_100000233687_100011217235 [0,1,0,0,0,1|0,0,2]=4 3199 B14R1.5956 O=C(NCc1cccc(c1)Br)C(O)O 240690a_100000174977_100000233687 [0,1,0,0,0,1|0,0,2]=4 3200 B14R1.5956 O=C(NCc1cccc(c1)Cl)C(O)O 240690a_100000174878_100000233687 [0,1,0,0,0,1|0,0,2]=4 3201 B14R1.5956 O=C(NCc1cccc(c1)F)C(O)O 240690a_100000174948_100000233687 [0,1,0,0,0,1|0,0,2]=4 3202 B14R1.5956 O=C(NCc1cccc(c1)I)C(O)O 240690a_100000106179_100000233687 [0,1,0,0,0,1|0,0,2]=4 3203 B14R1.5956 O=C(NCc1cccc(c1)O)C(O)O 240690a_100000743036_100000233687 [0,1,0,0,0,1|0,0,2]=4 3204 B14R1.3 C#Cc1ccc(cc1)CC(=O)C(=C)C 1458a_100000185857_100000140223 [0,2,0,0,0,0|2,0,0]=4 3205 B14R1.3 C#Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000140223 [0,2,0,0,0,0|0,0,2]=4 3206 B14R1.3 C#Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000140223 [0,2,0,0,0,0|1,0,1]=4 3207 B14R1.3 C#Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000140223 [0,2,0,0,0,0|1,0,1]=4 3208 B14R1.3 C#Cc1ccc(cc1)NC(=O)C(=O)N 22a_100011215031_100011215815 [0,2,0,0,0,0|2,0,0]=4 3209 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)C#N 1458a_100000185857_100000184898 [0,2,0,0,0,0|2,0,0]=4 3210 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)C=O 1458a_100000185857_100000075337 [0,2,0,0,0,0|2,0,0]=4 3211 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)CC 1458a_100000185857_100000747183 [0,2,0,0,0,0|2,0,0]=4 3212 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)CO 1458a_100000185857_100000067286 [0,2,0,0,0,0|2,0,0]=4 3213 B14R1.3 C=C(C)C(=O)Cc1ccc(cc1)SC 1458a_100000185857_100000181263 [0,2,0,0,0,0|2,0,0]=4 3214 B14R1.3 C=Cc1ccc(cc1)CC(=O)C(=C)C 1458a_100000185857_100000034074 [0,2,0,0,0,0|2,0,0]=4 3215 B14R1.3 C=Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000034074 [0,2,0,0,0,0|0,0,2]=4 3216 B14R1.3 C=Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000034074 [0,2,0,0,0,0|1,0,1]=4 3217 B14R1.3 C=Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000034074 [0,2,0,0,0,0|1,0,1]=4 3218 B14R1.3 C=Cc1ccc(cc1)NC(=O)C(=O)N 22a_100011218248_100011215815 [0,2,0,0,0,0|2,0,0]=4 3219 B14R1.3 CCc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000747183 [0,2,0,0,0,0|0,0,2]=4 3220 B14R1.3 CCc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000747183 [0,2,0,0,0,0|1,0,1]=4 3221 B14R1.3 CCc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000747183 [0,2,0,0,0,0|1,0,1]=4 3222 B14R1.3 CCc1ccc(cc1)NC(=O)C(=O)N 22a_100000211069_100011215815 [0,2,0,0,0,0|2,0,0]=4 3223 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)N 22a_100000184247_100011215815 [0,2,0,0,0,0|2,0,0]=4 3224 B14R1.3 CSc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000181263 [0,2,0,0,0,0|0,0,2]=4 3225 B14R1.3 CSc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000181263 [0,2,0,0,0,0|1,0,1]=4 3226 B14R1.3 CSc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000181263 [0,2,0,0,0,0|1,0,1]=4 3227 B14R1.3 CSc1ccc(cc1)NC(=O)C(=O)N 22a_100000212337_100011215815 [0,2,0,0,0,0|2,0,0]=4 3228 B14R1.3 C[C@@H](O)C(=O)Cc1ccc(cc1)C#N 1458a_100000717761_100000184898 [0,2,0,0,0,0|1,0,1]=4 3229 B14R1.3 C[C@@H](O)C(=O)Cc1ccc(cc1)C=O 1458a_100000717761_100000075337 [0,2,0,0,0,0|1,0,1]=4 3230 B14R1.3 C[C@@H](O)C(=O)Cc1ccc(cc1)CO 1458a_100000717761_100000067286 [0,2,0,0,0,0|1,0,1]=4 3231 B14R1.3 C[C@H](O)C(=O)Cc1ccc(cc1)C#N 1458a_217856618621_100000184898 [0,2,0,0,0,0|1,0,1]=4 3232 B14R1.3 C[C@H](O)C(=O)Cc1ccc(cc1)C=O 1458a_217856618621_100000075337 [0,2,0,0,0,0|1,0,1]=4 3233 B14R1.3 C[C@H](O)C(=O)Cc1ccc(cc1)CO 1458a_217856618621_100000067286 [0,2,0,0,0,0|1,0,1]=4 3234 B14R1.3 N#Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000184898 [0,2,0,0,0,0|0,0,2]=4 3235 B14R1.3 NC(=O)C(=O)Nc1ccc(cc1)CO 22a_100011215238_100011215815 [0,2,0,0,0,0|2,0,0]=4 3236 B14R1.3 O=C(Cc1ccc(cc1)CO)C(O)O 1458a_100000233687_100000067286 [0,2,0,0,0,0|0,0,2]=4 3237 B14R1.3 O=Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000075337 [0,2,0,0,0,0|0,0,2]=4 3238 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)Br 1458a_100000185857_100000755118 [0,2,0,0,0,0|2,0,0]=4 3239 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)C 1458a_100000185857_100011261388 [0,2,0,0,0,0|2,0,0]=4 3240 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)Cl 1458a_100000185857_100000684792 [0,2,0,0,0,0|2,0,0]=4 3241 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)F 1458a_100000185857_100000743420 [0,2,0,0,0,0|2,0,0]=4 3242 B14R1.132 CC(C(=O)C(O)O)c1ccc(cc1)Br 1458a_100000233687_100000755118 [0,2,0,0,0,0|0,0,2]=4 3243 B14R1.132 CC(C(=O)C(O)O)c1ccc(cc1)Cl 1458a_100000233687_100000684792 [0,2,0,0,0,0|0,0,2]=4 3244 B14R1.132 CC(C(=O)C(O)O)c1ccc(cc1)F 1458a_100000233687_100000743420 [0,2,0,0,0,0|0,0,2]=4 3245 B14R1.132 CC(C(=O)[C@@H](C)O)c1ccc(cc1)Br 1458a_100000717761_100000755118 [0,2,0,0,0,0|1,0,1]=4 3246 B14R1.132 CC(C(=O)[C@@H](C)O)c1ccc(cc1)Cl 1458a_100000717761_100000684792 [0,2,0,0,0,0|1,0,1]=4 3247 B14R1.132 CC(C(=O)[C@@H](C)O)c1ccc(cc1)F 1458a_100000717761_100000743420 [0,2,0,0,0,0|1,0,1]=4 3248 B14R1.132 CC(C(=O)[C@H](C)O)c1ccc(cc1)Br 1458a_217856618621_100000755118 [0,2,0,0,0,0|1,0,1]=4 3249 B14R1.132 CC(C(=O)[C@H](C)O)c1ccc(cc1)Cl 1458a_217856618621_100000684792 [0,2,0,0,0,0|1,0,1]=4 3250 B14R1.132 CC(C(=O)[C@H](C)O)c1ccc(cc1)F 1458a_217856618621_100000743420 [0,2,0,0,0,0|1,0,1]=4 3251 B14R1.132 CN(C(=O)C(=O)N)c1ccc(cc1)Br 22a_100000219623_100011215815 [0,2,0,0,0,0|2,0,0]=4 3252 B14R1.132 CN(C(=O)C(=O)N)c1ccc(cc1)Cl 22a_100020629279_100011215815 [0,2,0,0,0,0|2,0,0]=4 3253 B14R1.132 CN(C(=O)C(=O)N)c1ccc(cc1)F 22a_100000219829_100011215815 [0,2,0,0,0,0|2,0,0]=4 3254 B14R1.132 CN(C(=O)C(=O)N)c1ccc(cc1)I 22a_100000743151_100011215815 [0,2,0,0,0,0|2,0,0]=4 3255 B14R1.132 CN(C(=O)C(=O)N)c1ccc(cc1)O 22a_100000182112_100011215815 [0,2,0,0,0,0|2,0,0]=4 3256 B14R1.132 Cc1ccc(cc1)C(C)C(=O)C(O)O 1458a_100000233687_100011261388 [0,2,0,0,0,0|0,0,2]=4 3257 B14R1.132 Cc1ccc(cc1)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100011261388 [0,2,0,0,0,0|1,0,1]=4 3258 B14R1.132 Cc1ccc(cc1)C(C)C(=O)[C@H](C)O 1458a_217856618621_100011261388 [0,2,0,0,0,0|1,0,1]=4 3259 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(=O)N 22a_100000219977_100011215815 [0,2,0,0,0,0|2,0,0]=4 3260 B14R1.134 C/C=C(\C)/C(=O)Cc1ccc(cc1)Br 1458a_100020587367_100000189115 [0,2,0,0,0,0|2,0,0]=4 3261 B14R1.134 C/C=C(\C)/C(=O)Cc1ccc(cc1)C 1458a_100020587367_100000210814 [0,2,0,0,0,0|2,0,0]=4 3262 B14R1.134 C/C=C(\C)/C(=O)Cc1ccc(cc1)Cl 1458a_100020587367_100000694040 [0,2,0,0,0,0|2,0,0]=4 3263 B14R1.134 C/C=C(\C)/C(=O)Cc1ccc(cc1)F 1458a_100020587367_100000198546 [0,2,0,0,0,0|2,0,0]=4 3264 B14R1.134 C/C=C(\C)/C(=O)Cc1ccc(cc1)I 1458a_100020587367_100000189116 [0,2,0,0,0,0|2,0,0]=4 3265 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)Br 22a_100000210018_200000705526 [0,2,0,0,0,0|2,0,0]=4 3266 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)C 22a_100000124888_200000705526 [0,2,0,0,0,0|2,0,0]=4 3267 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_200000705526 [0,2,0,0,0,0|2,0,0]=4 3268 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)F 22a_100000185862_200000705526 [0,2,0,0,0,0|2,0,0]=4 3269 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)I 22a_100000185761_200000705526 [0,2,0,0,0,0|2,0,0]=4 3270 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)O 22a_100000185829_200000705526 [0,2,0,0,0,0|2,0,0]=4 3271 B14R1.134 CCC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_100000210202 [0,2,0,0,0,0|2,0,0]=4 3272 B14R1.134 CCC(O)C(=O)Cc1ccc(cc1)Br 1458a_100011196387_100000189115 [0,2,0,0,0,0|1,0,1]=4 3273 B14R1.134 CCC(O)C(=O)Cc1ccc(cc1)C 1458a_100011196387_100000210814 [0,2,0,0,0,0|1,0,1]=4 3274 B14R1.134 CCC(O)C(=O)Cc1ccc(cc1)Cl 1458a_100011196387_100000694040 [0,2,0,0,0,0|1,0,1]=4 3275 B14R1.134 CCC(O)C(=O)Cc1ccc(cc1)F 1458a_100011196387_100000198546 [0,2,0,0,0,0|1,0,1]=4 3276 B14R1.134 CCC(O)C(=O)Cc1ccc(cc1)I 1458a_100011196387_100000189116 [0,2,0,0,0,0|1,0,1]=4 3277 B14R1.134 CN(Cc1ccc(cc1)Br)C(=O)CO 240690a_100000180866_100000210174 [0,2,0,0,0,0|2,0,0]=4 3278 B14R1.134 CN(Cc1ccc(cc1)Br)C(=O)CO 527a_100000180866_100000210174 [0,2,0,0,0,0|2,0,0]=4 3279 B14R1.134 CN(Cc1ccc(cc1)Cl)C(=O)CO 240690a_100000184517_100000210174 [0,2,0,0,0,0|2,0,0]=4 3280 B14R1.134 CN(Cc1ccc(cc1)Cl)C(=O)CO 527a_100000184517_100000210174 [0,2,0,0,0,0|2,0,0]=4 3281 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO 240690a_100000184576_100000210174 [0,2,0,0,0,0|2,0,0]=4 3282 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO 527a_100000184576_100000210174 [0,2,0,0,0,0|2,0,0]=4 3283 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 240690a_100000207500_100000210174 [0,2,0,0,0,0|2,0,0]=4 3284 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 527a_100000207500_100000210174 [0,2,0,0,0,0|2,0,0]=4 3285 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)Br 1458a_100011218921_100000189115 [0,2,0,0,0,0|1,0,0]=3 3286 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)C 1458a_100011218921_100000210814 [0,2,0,0,0,0|1,0,0]=3 3287 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)Cl 1458a_100011218921_100000694040 [0,2,0,0,0,0|1,0,0]=3 3288 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)F 1458a_100011218921_100000198546 [0,2,0,0,0,0|1,0,0]=3 3289 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)I 1458a_100011218921_100000189116 [0,2,0,0,0,0|1,0,0]=3 3290 B14R1.134 CNC(=O)C(=O)Cc1ccc(cn1)Br 1458a_100011218921_100000702658 [0,2,0,0,0,0|2,0,0]=4 3291 B14R1.134 CNC(=O)C(=O)Cc1ccc(cn1)C 1458a_100011218921_100000691093 [0,2,0,0,0,0|2,0,0]=4 3292 B14R1.134 CNC(=O)C(=O)Cc1ccc(cn1)Cl 1458a_100011218921_100012066911 [0,2,0,0,0,0|2,0,0]=4 3293 B14R1.134 CNC(=O)C(=O)Cc1ccc(cn1)F 1458a_100011218921_100000703193 [0,2,0,0,0,0|2,0,0]=4 3294 B14R1.134 CNC(=O)C(=O)Cc1ccc(nc1)Br 1458a_100011218921_100009831999 [0,2,0,0,0,0|2,0,0]=4 3295 B14R1.134 CNC(=O)C(=O)Cc1ccc(nc1)C 1458a_100011218921_100016987292 [0,2,0,0,0,0|2,0,0]=4 3296 B14R1.134 CNC(=O)C(=O)Cc1ccc(nc1)Cl 1458a_100011218921_100000735431 [0,2,0,0,0,0|2,0,0]=4 3297 B14R1.134 CNC(=O)C(=O)Cc1ccc(nc1)F 1458a_100011218921_100009820150 [0,2,0,0,0,0|2,0,0]=4 3298 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011218921 [0,2,0,0,0,0|2,0,0]=4 3299 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011218921 [0,2,0,0,0,0|2,0,0]=4 3300 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100011218921 [0,2,0,0,0,0|2,0,0]=4 3301 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100011218921 [0,2,0,0,0,0|2,0,0]=4 3302 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100102657272_100000189662 [0,2,0,0,0,0|2,0,0]=4 3303 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 22a_100000124888_100011218921 [0,2,0,0,0,0|2,0,0]=4 3304 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 240690a_100102657272_100000189662 [0,2,0,0,0,0|2,0,0]=4 3305 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_100011218921 [0,2,0,0,0,0|2,0,0]=4 3306 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011218921 [0,2,0,0,0,0|2,0,0]=4 3307 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100102657272_100000199041 [0,2,0,0,0,0|2,0,0]=4 3308 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011218921 [0,2,0,0,0,0|2,0,0]=4 3309 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100102657272_100000199041 [0,2,0,0,0,0|2,0,0]=4 3310 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011218921 [0,2,0,0,0,0|2,0,0]=4 3311 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100011218921 [0,2,0,0,0,0|2,0,0]=4 3312 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100102657272_100011297306 [0,2,0,0,0,0|2,0,0]=4 3313 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011218921 [0,2,0,0,0,0|2,0,0]=4 3314 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100102657272_100011297306 [0,2,0,0,0,0|2,0,0]=4 3315 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_100011218921 [0,2,0,0,0,0|2,0,0]=4 3316 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100011218921 [0,2,0,0,0,0|2,0,0]=4 3317 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011218921 [0,2,0,0,0,0|2,0,0]=4 3318 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_100011218921 [0,2,0,0,0,0|2,0,0]=4 3319 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011218921 [0,2,0,0,0,0|2,0,0]=4 3320 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 11a_106832991635_100009913200 [0,2,0,0,0,0|2,0,0]=4 3321 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 1626a_100102657272_100009913200 [0,2,0,0,0,0|2,0,0]=4 3322 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 240690a_100102657272_100009913200 [0,2,0,0,0,0|2,0,0]=4 3323 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 527a_100102657272_100009913200 [0,2,0,0,0,0|2,0,0]=4 3324 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000024059 [0,2,0,0,0,0|1,0,0]=3 3325 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000024059 [0,2,0,0,0,0|1,0,0]=3 3326 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100000024059 [0,2,0,0,0,0|1,0,0]=3 3327 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000024059 [0,2,0,0,0,0|1,0,0]=3 3328 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000024059 [0,2,0,0,0,0|1,0,0]=3 3329 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_100000024059 [0,2,0,0,0,0|1,0,0]=3 3330 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000024059 [0,2,0,0,0,0|1,0,0]=3 3331 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000024059 [0,2,0,0,0,0|1,0,0]=3 3332 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000024059 [0,2,0,0,0,0|1,0,0]=3 3333 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000024059 [0,2,0,0,0,0|1,0,0]=3 3334 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000024059 [0,2,0,0,0,0|1,0,0]=3 3335 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_100000024059 [0,2,0,0,0,0|1,0,0]=3 3336 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000024059 [0,2,0,0,0,0|1,0,0]=3 3337 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000024059 [0,2,0,0,0,0|1,0,0]=3 3338 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_100000024059 [0,2,0,0,0,0|1,0,0]=3 3339 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,2,0,0,0,0|1,0,1]=4 3340 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,2,0,0,0,0|1,0,1]=4 3341 B14R1.134 COC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000743197_100000189115 [0,2,0,0,0,0|1,0,1]=4 3342 B14R1.134 COC(C)C(=O)Cc1ccc(cc1)C 1458a_100000743197_100000210814 [0,2,0,0,0,0|1,0,1]=4 3343 B14R1.134 COC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000743197_100000694040 [0,2,0,0,0,0|1,0,1]=4 3344 B14R1.134 COC(C)C(=O)Cc1ccc(cc1)F 1458a_100000743197_100000198546 [0,2,0,0,0,0|1,0,1]=4 3345 B14R1.134 COC(C)C(=O)Cc1ccc(cc1)I 1458a_100000743197_100000189116 [0,2,0,0,0,0|1,0,1]=4 3346 B14R1.134 CON(C)C(=O)Cc1ccc(cc1)O 271570a_203496583355_200000153862 [0,2,0,0,0,0|2,0,0]=4 3347 B14R1.134 Cc1ccc(cc1)CC(=O)C(O)CO 1458a_100011215603_100000210814 [0,2,0,0,0,0|0,0,2]=4 3348 B14R1.134 Cc1ccc(cc1)CN(C)C(=O)CO 240690a_100000744650_100000210174 [0,2,0,0,0,0|2,0,0]=4 3349 B14R1.134 Cc1ccc(cc1)CN(C)C(=O)CO 527a_100000744650_100000210174 [0,2,0,0,0,0|2,0,0]=4 3350 B14R1.134 Cc1ccc(cc1)NC(=O)C(=O)CF 1458a_100000189662_100015361967 [0,2,0,0,0,0|2,0,0]=4 3351 B14R1.134 O=C(Cc1ccc(cc1)Br)C(O)CO 1458a_100011215603_100000189115 [0,2,0,0,0,0|0,0,2]=4 3352 B14R1.134 O=C(Cc1ccc(cc1)Cl)C(O)CO 1458a_100011215603_100000694040 [0,2,0,0,0,0|0,0,2]=4 3353 B14R1.134 O=C(Cc1ccc(cc1)F)C(O)CO 1458a_100011215603_100000198546 [0,2,0,0,0,0|0,0,2]=4 3354 B14R1.134 O=C(Cc1ccc(cc1)I)C(O)CO 1458a_100011215603_100000189116 [0,2,0,0,0,0|0,0,2]=4 3355 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Br)Br 1458a_100000185857_100012353900 [0,2,0,0,0,0|2,0,0]=4 3356 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Br)C 1458a_100000185857_100012232412 [0,2,0,0,0,0|2,0,0]=4 3357 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000185857_100012353894 [0,2,0,0,0,0|2,0,0]=4 3358 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Br)F 1458a_100000185857_100011206884 [0,2,0,0,0,0|2,0,0]=4 3359 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)C)Br 1458a_100000185857_100000727479 [0,2,0,0,0,0|2,0,0]=4 3360 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)C)C 1458a_100000185857_100000742320 [0,2,0,0,0,0|2,0,0]=4 3361 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)C)Cl 1458a_100000185857_100012184735 [0,2,0,0,0,0|2,0,0]=4 3362 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)C)F 1458a_100000185857_100011216667 [0,2,0,0,0,0|2,0,0]=4 3363 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000185857_100012353895 [0,2,0,0,0,0|2,0,0]=4 3364 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Cl)C 1458a_100000185857_100011823929 [0,2,0,0,0,0|2,0,0]=4 3365 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000185857_100000184707 [0,2,0,0,0,0|2,0,0]=4 3366 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Cl)F 1458a_100000185857_100000717365 [0,2,0,0,0,0|2,0,0]=4 3367 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)Cl)I 1458a_100000185857_100012349665 [0,2,0,0,0,0|2,0,0]=4 3368 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)F)Br 1458a_100000185857_100000767054 [0,2,0,0,0,0|2,0,0]=4 3369 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)F)C 1458a_100000185857_100011217369 [0,2,0,0,0,0|2,0,0]=4 3370 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000185857_100000716492 [0,2,0,0,0,0|2,0,0]=4 3371 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)F)F 1458a_100000185857_100000757363 [0,2,0,0,0,0|2,0,0]=4 3372 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)F)I 1458a_100000185857_100010149604 [0,2,0,0,0,0|2,0,0]=4 3373 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)I)Br 1458a_100000185857_100010146616 [0,2,0,0,0,0|2,0,0]=4 3374 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)I)C 1458a_100000185857_100010206137 [0,2,0,0,0,0|2,0,0]=4 3375 B14R1.686 C=C(C)C(=O)Cc1ccc(c(c1)I)F 1458a_100000185857_100010188208 [0,2,0,0,0,0|2,0,0]=4 3376 B14R1.686 CC(=O)C(=O)Nc1ccc(c(c1)C)C 1458a_100000189585_200000210301 [0,2,0,0,0,0|2,0,0]=4 3377 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Br)Br 1458a_100000717761_100012353900 [0,2,0,0,0,0|1,0,1]=4 3378 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000717761_100012353894 [0,2,0,0,0,0|1,0,1]=4 3379 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Br)F 1458a_100000717761_100011206884 [0,2,0,0,0,0|1,0,1]=4 3380 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000717761_100012353895 [0,2,0,0,0,0|1,0,1]=4 3381 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000717761_100000184707 [0,2,0,0,0,0|1,0,1]=4 3382 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Cl)F 1458a_100000717761_100000717365 [0,2,0,0,0,0|1,0,1]=4 3383 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)Cl)I 1458a_100000717761_100012349665 [0,2,0,0,0,0|1,0,1]=4 3384 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)F)Br 1458a_100000717761_100000767054 [0,2,0,0,0,0|1,0,1]=4 3385 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000717761_100000716492 [0,2,0,0,0,0|1,0,1]=4 3386 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)F)F 1458a_100000717761_100000757363 [0,2,0,0,0,0|1,0,1]=4 3387 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)F)I 1458a_100000717761_100010149604 [0,2,0,0,0,0|1,0,1]=4 3388 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)I)Br 1458a_100000717761_100010146616 [0,2,0,0,0,0|1,0,1]=4 3389 B14R1.686 C[C@@H](O)C(=O)Cc1ccc(c(c1)I)F 1458a_100000717761_100010188208 [0,2,0,0,0,0|1,0,1]=4 3390 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Br)Br 1458a_217856618621_100012353900 [0,2,0,0,0,0|1,0,1]=4 3391 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Br)Cl 1458a_217856618621_100012353894 [0,2,0,0,0,0|1,0,1]=4 3392 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Br)F 1458a_217856618621_100011206884 [0,2,0,0,0,0|1,0,1]=4 3393 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Cl)Br 1458a_217856618621_100012353895 [0,2,0,0,0,0|1,0,1]=4 3394 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_217856618621_100000184707 [0,2,0,0,0,0|1,0,1]=4 3395 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Cl)F 1458a_217856618621_100000717365 [0,2,0,0,0,0|1,0,1]=4 3396 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)Cl)I 1458a_217856618621_100012349665 [0,2,0,0,0,0|1,0,1]=4 3397 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)F)Br 1458a_217856618621_100000767054 [0,2,0,0,0,0|1,0,1]=4 3398 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)F)Cl 1458a_217856618621_100000716492 [0,2,0,0,0,0|1,0,1]=4 3399 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)F)F 1458a_217856618621_100000757363 [0,2,0,0,0,0|1,0,1]=4 3400 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)F)I 1458a_217856618621_100010149604 [0,2,0,0,0,0|1,0,1]=4 3401 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)I)Br 1458a_217856618621_100010146616 [0,2,0,0,0,0|1,0,1]=4 3402 B14R1.686 C[C@H](O)C(=O)Cc1ccc(c(c1)I)F 1458a_217856618621_100010188208 [0,2,0,0,0,0|1,0,1]=4 3403 B14R1.686 Cc1cc(ccc1Br)CC(=O)C(O)O 1458a_100000233687_100000727479 [0,2,0,0,0,0|0,0,2]=4 3404 B14R1.686 Cc1cc(ccc1Br)CC(=O)[C@@H](C)O 1458a_100000717761_100000727479 [0,2,0,0,0,0|1,0,1]=4 3405 B14R1.686 Cc1cc(ccc1Br)CC(=O)[C@H](C)O 1458a_217856618621_100000727479 [0,2,0,0,0,0|1,0,1]=4 3406 B14R1.686 Cc1cc(ccc1Br)NC(=O)C(=O)N 22a_100000210723_100011215815 [0,2,0,0,0,0|2,0,0]=4 3407 B14R1.686 Cc1cc(ccc1Cl)CC(=O)C(O)O 1458a_100000233687_100012184735 [0,2,0,0,0,0|0,0,2]=4 3408 B14R1.686 Cc1cc(ccc1Cl)CC(=O)[C@@H](C)O 1458a_100000717761_100012184735 [0,2,0,0,0,0|1,0,1]=4 3409 B14R1.686 Cc1cc(ccc1Cl)CC(=O)[C@H](C)O 1458a_217856618621_100012184735 [0,2,0,0,0,0|1,0,1]=4 3410 B14R1.686 Cc1cc(ccc1Cl)NC(=O)C(=O)N 22a_100000187808_100011215815 [0,2,0,0,0,0|2,0,0]=4 3411 B14R1.686 Cc1cc(ccc1F)CC(=O)C(O)O 1458a_100000233687_100011216667 [0,2,0,0,0,0|0,0,2]=4 3412 B14R1.686 Cc1cc(ccc1F)CC(=O)[C@@H](C)O 1458a_100000717761_100011216667 [0,2,0,0,0,0|1,0,1]=4 3413 B14R1.686 Cc1cc(ccc1F)CC(=O)[C@H](C)O 1458a_217856618621_100011216667 [0,2,0,0,0,0|1,0,1]=4 3414 B14R1.686 Cc1cc(ccc1F)NC(=O)C(=O)N 22a_100000750164_100011215815 [0,2,0,0,0,0|2,0,0]=4 3415 B14R1.686 Cc1cc(ccc1I)NC(=O)C(=O)N 22a_100000198070_100011215815 [0,2,0,0,0,0|2,0,0]=4 3416 B14R1.686 Cc1cc(ccc1O)NC(=O)C(=O)N 22a_100011218179_100011215815 [0,2,0,0,0,0|2,0,0]=4 3417 B14R1.686 Cc1ccc(cc1Br)CC(=O)C(O)O 1458a_100000233687_100012232412 [0,2,0,0,0,0|0,0,2]=4 3418 B14R1.686 Cc1ccc(cc1Br)CC(=O)[C@@H](C)O 1458a_100000717761_100012232412 [0,2,0,0,0,0|1,0,1]=4 3419 B14R1.686 Cc1ccc(cc1Br)CC(=O)[C@H](C)O 1458a_217856618621_100012232412 [0,2,0,0,0,0|1,0,1]=4 3420 B14R1.686 Cc1ccc(cc1Br)NC(=O)C(=O)N 22a_100000736455_100011215815 [0,2,0,0,0,0|2,0,0]=4 3421 B14R1.686 Cc1ccc(cc1C)CC(=O)C(O)O 1458a_100000233687_100000742320 [0,2,0,0,0,0|0,0,2]=4 3422 B14R1.686 Cc1ccc(cc1C)CC(=O)[C@@H](C)O 1458a_100000717761_100000742320 [0,2,0,0,0,0|1,0,1]=4 3423 B14R1.686 Cc1ccc(cc1C)CC(=O)[C@H](C)O 1458a_217856618621_100000742320 [0,2,0,0,0,0|1,0,1]=4 3424 B14R1.686 Cc1ccc(cc1C)NC(=O)C(=O)N 22a_100000724040_100011215815 [0,2,0,0,0,0|2,0,0]=4 3425 B14R1.686 Cc1ccc(cc1C)NC(=O)C(=O)[13CH3] 1458a_100000189585_200025704644 [0,2,0,0,0,0|2,0,0]=4 3426 B14R1.686 Cc1ccc(cc1Cl)CC(=O)C(O)O 1458a_100000233687_100011823929 [0,2,0,0,0,0|0,0,2]=4 3427 B14R1.686 Cc1ccc(cc1Cl)CC(=O)[C@@H](C)O 1458a_100000717761_100011823929 [0,2,0,0,0,0|1,0,1]=4 3428 B14R1.686 Cc1ccc(cc1Cl)CC(=O)[C@H](C)O 1458a_217856618621_100011823929 [0,2,0,0,0,0|1,0,1]=4 3429 B14R1.686 Cc1ccc(cc1Cl)NC(=O)C(=O)N 22a_100000188892_100011215815 [0,2,0,0,0,0|2,0,0]=4 3430 B14R1.686 Cc1ccc(cc1F)CC(=O)C(O)O 1458a_100000233687_100011217369 [0,2,0,0,0,0|0,0,2]=4 3431 B14R1.686 Cc1ccc(cc1F)CC(=O)[C@@H](C)O 1458a_100000717761_100011217369 [0,2,0,0,0,0|1,0,1]=4 3432 B14R1.686 Cc1ccc(cc1F)CC(=O)[C@H](C)O 1458a_217856618621_100011217369 [0,2,0,0,0,0|1,0,1]=4 3433 B14R1.686 Cc1ccc(cc1F)NC(=O)C(=O)N 22a_100000210958_100011215815 [0,2,0,0,0,0|2,0,0]=4 3434 B14R1.686 Cc1ccc(cc1I)CC(=O)C(O)O 1458a_100000233687_100010206137 [0,2,0,0,0,0|0,0,2]=4 3435 B14R1.686 Cc1ccc(cc1I)CC(=O)[C@@H](C)O 1458a_100000717761_100010206137 [0,2,0,0,0,0|1,0,1]=4 3436 B14R1.686 Cc1ccc(cc1I)CC(=O)[C@H](C)O 1458a_217856618621_100010206137 [0,2,0,0,0,0|1,0,1]=4 3437 B14R1.686 Cc1ccc(cc1I)NC(=O)C(=O)N 22a_100000184131_100011215815 [0,2,0,0,0,0|2,0,0]=4 3438 B14R1.686 Cc1ccc(cc1O)NC(=O)C(=O)N 22a_100000759471_100011215815 [0,2,0,0,0,0|2,0,0]=4 3439 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100011215815 [0,2,0,0,0,0|2,0,0]=4 3440 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100011215815 [0,2,0,0,0,0|2,0,0]=4 3441 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100011215815 [0,2,0,0,0,0|2,0,0]=4 3442 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100011215815 [0,2,0,0,0,0|2,0,0]=4 3443 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100011215815 [0,2,0,0,0,0|2,0,0]=4 3444 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100011215815 [0,2,0,0,0,0|2,0,0]=4 3445 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100011215815 [0,2,0,0,0,0|2,0,0]=4 3446 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100011215815 [0,2,0,0,0,0|2,0,0]=4 3447 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100011215815 [0,2,0,0,0,0|2,0,0]=4 3448 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100011215815 [0,2,0,0,0,0|2,0,0]=4 3449 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100011215815 [0,2,0,0,0,0|2,0,0]=4 3450 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100011215815 [0,2,0,0,0,0|2,0,0]=4 3451 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100011215815 [0,2,0,0,0,0|2,0,0]=4 3452 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100011215815 [0,2,0,0,0,0|2,0,0]=4 3453 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100011215815 [0,2,0,0,0,0|2,0,0]=4 3454 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100011215815 [0,2,0,0,0,0|2,0,0]=4 3455 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100011215815 [0,2,0,0,0,0|2,0,0]=4 3456 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100011215815 [0,2,0,0,0,0|2,0,0]=4 3457 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100011215815 [0,2,0,0,0,0|2,0,0]=4 3458 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100011215815 [0,2,0,0,0,0|2,0,0]=4 3459 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011215815 [0,2,0,0,0,0|2,0,0]=4 3460 B14R1.686 O=C(Cc1ccc(c(c1)Br)Br)C(O)O 1458a_100000233687_100012353900 [0,2,0,0,0,0|0,0,2]=4 3461 B14R1.686 O=C(Cc1ccc(c(c1)Br)Cl)C(O)O 1458a_100000233687_100012353894 [0,2,0,0,0,0|0,0,2]=4 3462 B14R1.686 O=C(Cc1ccc(c(c1)Br)F)C(O)O 1458a_100000233687_100011206884 [0,2,0,0,0,0|0,0,2]=4 3463 B14R1.686 O=C(Cc1ccc(c(c1)Cl)Br)C(O)O 1458a_100000233687_100012353895 [0,2,0,0,0,0|0,0,2]=4 3464 B14R1.686 O=C(Cc1ccc(c(c1)Cl)Cl)C(O)O 1458a_100000233687_100000184707 [0,2,0,0,0,0|0,0,2]=4 3465 B14R1.686 O=C(Cc1ccc(c(c1)Cl)F)C(O)O 1458a_100000233687_100000717365 [0,2,0,0,0,0|0,0,2]=4 3466 B14R1.686 O=C(Cc1ccc(c(c1)Cl)I)C(O)O 1458a_100000233687_100012349665 [0,2,0,0,0,0|0,0,2]=4 3467 B14R1.686 O=C(Cc1ccc(c(c1)F)Br)C(O)O 1458a_100000233687_100000767054 [0,2,0,0,0,0|0,0,2]=4 3468 B14R1.686 O=C(Cc1ccc(c(c1)F)Cl)C(O)O 1458a_100000233687_100000716492 [0,2,0,0,0,0|0,0,2]=4 3469 B14R1.686 O=C(Cc1ccc(c(c1)F)F)C(O)O 1458a_100000233687_100000757363 [0,2,0,0,0,0|0,0,2]=4 3470 B14R1.686 O=C(Cc1ccc(c(c1)F)I)C(O)O 1458a_100000233687_100010149604 [0,2,0,0,0,0|0,0,2]=4 3471 B14R1.686 O=C(Cc1ccc(c(c1)I)Br)C(O)O 1458a_100000233687_100010146616 [0,2,0,0,0,0|0,0,2]=4 3472 B14R1.686 O=C(Cc1ccc(c(c1)I)F)C(O)O 1458a_100000233687_100010188208 [0,2,0,0,0,0|0,0,2]=4 3473 B14R1.700 CC(C)(O)C(=O)Cc1ccc(cc1)Br 1458a_100000242741_100000189115 [0,2,0,0,0,0|1,0,1]=4 3474 B14R1.700 CC(C)(O)C(=O)Cc1ccc(cc1)Cl 1458a_100000242741_100000694040 [0,2,0,0,0,0|1,0,1]=4 3475 B14R1.700 CC(C)(O)C(=O)Cc1ccc(cc1)F 1458a_100000242741_100000198546 [0,2,0,0,0,0|1,0,1]=4 3476 B14R1.700 CC(C)(O)C(=O)Cc1ccc(cc1)I 1458a_100000242741_100000189116 [0,2,0,0,0,0|1,0,1]=4 3477 B14R1.700 Cc1ccc(cc1)CC(=O)C(C)(C)O 1458a_100000242741_100000210814 [0,2,0,0,0,0|1,0,1]=4 3478 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Br)Br 1458a_100000185857_200012351560 [0,2,0,0,0,0|2,0,0]=4 3479 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Br)Cl 1458a_100000185857_100000755608 [0,2,0,0,0,0|2,0,0]=4 3480 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Br)F 1458a_100000185857_100000243222 [0,2,0,0,0,0|2,0,0]=4 3481 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Br)I 1458a_100000185857_100010146610 [0,2,0,0,0,0|2,0,0]=4 3482 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1C)Br 1458a_100000185857_100000708836 [0,2,0,0,0,0|2,0,0]=4 3483 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1C)C 1458a_100000185857_100011219618 [0,2,0,0,0,0|2,0,0]=4 3484 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1C)Cl 1458a_100000185857_100012361307 [0,2,0,0,0,0|2,0,0]=4 3485 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1C)F 1458a_100000185857_100000700533 [0,2,0,0,0,0|2,0,0]=4 3486 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Cl)Br 1458a_100000185857_100011740631 [0,2,0,0,0,0|2,0,0]=4 3487 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Cl)C 1458a_100000185857_100012349684 [0,2,0,0,0,0|2,0,0]=4 3488 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000185857_100000188473 [0,2,0,0,0,0|2,0,0]=4 3489 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1Cl)F 1458a_100000185857_100011216360 [0,2,0,0,0,0|2,0,0]=4 3490 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1F)Br 1458a_100000185857_100000211606 [0,2,0,0,0,0|2,0,0]=4 3491 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1F)C 1458a_100000185857_100012002367 [0,2,0,0,0,0|2,0,0]=4 3492 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1F)Cl 1458a_100000185857_100000709361 [0,2,0,0,0,0|2,0,0]=4 3493 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1F)F 1458a_100000185857_100000748237 [0,2,0,0,0,0|2,0,0]=4 3494 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1F)I 1458a_100000185857_100010244991 [0,2,0,0,0,0|2,0,0]=4 3495 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1I)Br 1458a_100000185857_100010146615 [0,2,0,0,0,0|2,0,0]=4 3496 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1I)Cl 1458a_100000185857_100010254388 [0,2,0,0,0,0|2,0,0]=4 3497 B14R1.6049 C=C(C)C(=O)Cc1ccc(cc1I)F 1458a_100000185857_100012354799 [0,2,0,0,0,0|2,0,0]=4 3498 B14R1.6049 CC(=O)C(=O)Nc1ccc(cc1C)C 1458a_200011297145_200000210301 [0,2,0,0,0,0|2,0,0]=4 3499 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Br)Br 1458a_100000717761_200012351560 [0,2,0,0,0,0|1,0,1]=4 3500 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Br)Cl 1458a_100000717761_100000755608 [0,2,0,0,0,0|1,0,1]=4 3501 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Br)F 1458a_100000717761_100000243222 [0,2,0,0,0,0|1,0,1]=4 3502 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Br)I 1458a_100000717761_100010146610 [0,2,0,0,0,0|1,0,1]=4 3503 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Cl)Br 1458a_100000717761_100011740631 [0,2,0,0,0,0|1,0,1]=4 3504 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000717761_100000188473 [0,2,0,0,0,0|1,0,1]=4 3505 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1Cl)F 1458a_100000717761_100011216360 [0,2,0,0,0,0|1,0,1]=4 3506 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1F)Br 1458a_100000717761_100000211606 [0,2,0,0,0,0|1,0,1]=4 3507 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1F)Cl 1458a_100000717761_100000709361 [0,2,0,0,0,0|1,0,1]=4 3508 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1F)F 1458a_100000717761_100000748237 [0,2,0,0,0,0|1,0,1]=4 3509 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1F)I 1458a_100000717761_100010244991 [0,2,0,0,0,0|1,0,1]=4 3510 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1I)Br 1458a_100000717761_100010146615 [0,2,0,0,0,0|1,0,1]=4 3511 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1I)Cl 1458a_100000717761_100010254388 [0,2,0,0,0,0|1,0,1]=4 3512 B14R1.6049 C[C@@H](O)C(=O)Cc1ccc(cc1I)F 1458a_100000717761_100012354799 [0,2,0,0,0,0|1,0,1]=4 3513 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Br)Br 1458a_217856618621_200012351560 [0,2,0,0,0,0|1,0,1]=4 3514 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Br)Cl 1458a_217856618621_100000755608 [0,2,0,0,0,0|1,0,1]=4 3515 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Br)F 1458a_217856618621_100000243222 [0,2,0,0,0,0|1,0,1]=4 3516 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Br)I 1458a_217856618621_100010146610 [0,2,0,0,0,0|1,0,1]=4 3517 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Cl)Br 1458a_217856618621_100011740631 [0,2,0,0,0,0|1,0,1]=4 3518 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Cl)Cl 1458a_217856618621_100000188473 [0,2,0,0,0,0|1,0,1]=4 3519 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1Cl)F 1458a_217856618621_100011216360 [0,2,0,0,0,0|1,0,1]=4 3520 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1F)Br 1458a_217856618621_100000211606 [0,2,0,0,0,0|1,0,1]=4 3521 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1F)Cl 1458a_217856618621_100000709361 [0,2,0,0,0,0|1,0,1]=4 3522 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1F)F 1458a_217856618621_100000748237 [0,2,0,0,0,0|1,0,1]=4 3523 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1F)I 1458a_217856618621_100010244991 [0,2,0,0,0,0|1,0,1]=4 3524 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1I)Br 1458a_217856618621_100010146615 [0,2,0,0,0,0|1,0,1]=4 3525 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1I)Cl 1458a_217856618621_100010254388 [0,2,0,0,0,0|1,0,1]=4 3526 B14R1.6049 C[C@H](O)C(=O)Cc1ccc(cc1I)F 1458a_217856618621_100012354799 [0,2,0,0,0,0|1,0,1]=4 3527 B14R1.6049 Cc1cc(ccc1CC(=O)C(O)O)Br 1458a_100000233687_100000708836 [0,2,0,0,0,0|0,0,2]=4 3528 B14R1.6049 Cc1cc(ccc1CC(=O)C(O)O)Cl 1458a_100000233687_100012361307 [0,2,0,0,0,0|0,0,2]=4 3529 B14R1.6049 Cc1cc(ccc1CC(=O)C(O)O)F 1458a_100000233687_100000700533 [0,2,0,0,0,0|0,0,2]=4 3530 B14R1.6049 Cc1cc(ccc1CC(=O)[C@@H](C)O)Br 1458a_100000717761_100000708836 [0,2,0,0,0,0|1,0,1]=4 3531 B14R1.6049 Cc1cc(ccc1CC(=O)[C@@H](C)O)Cl 1458a_100000717761_100012361307 [0,2,0,0,0,0|1,0,1]=4 3532 B14R1.6049 Cc1cc(ccc1CC(=O)[C@@H](C)O)F 1458a_100000717761_100000700533 [0,2,0,0,0,0|1,0,1]=4 3533 B14R1.6049 Cc1cc(ccc1CC(=O)[C@H](C)O)Br 1458a_217856618621_100000708836 [0,2,0,0,0,0|1,0,1]=4 3534 B14R1.6049 Cc1cc(ccc1CC(=O)[C@H](C)O)Cl 1458a_217856618621_100012361307 [0,2,0,0,0,0|1,0,1]=4 3535 B14R1.6049 Cc1cc(ccc1CC(=O)[C@H](C)O)F 1458a_217856618621_100000700533 [0,2,0,0,0,0|1,0,1]=4 3536 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)Br 22a_100000211769_100011215815 [0,2,0,0,0,0|2,0,0]=4 3537 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)Cl 22a_100000210418_100011215815 [0,2,0,0,0,0|2,0,0]=4 3538 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)F 22a_100000211637_100011215815 [0,2,0,0,0,0|2,0,0]=4 3539 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)I 22a_100000184554_100011215815 [0,2,0,0,0,0|2,0,0]=4 3540 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)O 22a_100000756630_100011215815 [0,2,0,0,0,0|2,0,0]=4 3541 B14R1.6049 Cc1ccc(c(c1)C)CC(=O)C(O)O 1458a_100000233687_100011219618 [0,2,0,0,0,0|0,0,2]=4 3542 B14R1.6049 Cc1ccc(c(c1)C)CC(=O)[C@@H](C)O 1458a_100000717761_100011219618 [0,2,0,0,0,0|1,0,1]=4 3543 B14R1.6049 Cc1ccc(c(c1)C)CC(=O)[C@H](C)O 1458a_217856618621_100011219618 [0,2,0,0,0,0|1,0,1]=4 3544 B14R1.6049 Cc1ccc(c(c1)C)NC(=O)C(=O)N 22a_100000736561_100011215815 [0,2,0,0,0,0|2,0,0]=4 3545 B14R1.6049 Cc1ccc(c(c1)C)NC(=O)C(=O)[13CH3] 1458a_200011297145_200025704644 [0,2,0,0,0,0|2,0,0]=4 3546 B14R1.6049 Cc1ccc(c(c1)Cl)CC(=O)C(O)O 1458a_100000233687_100012349684 [0,2,0,0,0,0|0,0,2]=4 3547 B14R1.6049 Cc1ccc(c(c1)Cl)CC(=O)[C@@H](C)O 1458a_100000717761_100012349684 [0,2,0,0,0,0|1,0,1]=4 3548 B14R1.6049 Cc1ccc(c(c1)Cl)CC(=O)[C@H](C)O 1458a_217856618621_100012349684 [0,2,0,0,0,0|1,0,1]=4 3549 B14R1.6049 Cc1ccc(c(c1)Cl)NC(=O)C(=O)N 22a_100000210522_100011215815 [0,2,0,0,0,0|2,0,0]=4 3550 B14R1.6049 Cc1ccc(c(c1)F)CC(=O)C(O)O 1458a_100000233687_100012002367 [0,2,0,0,0,0|0,0,2]=4 3551 B14R1.6049 Cc1ccc(c(c1)F)CC(=O)[C@@H](C)O 1458a_100000717761_100012002367 [0,2,0,0,0,0|1,0,1]=4 3552 B14R1.6049 Cc1ccc(c(c1)F)CC(=O)[C@H](C)O 1458a_217856618621_100012002367 [0,2,0,0,0,0|1,0,1]=4 3553 B14R1.6049 Cc1ccc(c(c1)F)NC(=O)C(=O)N 22a_100000211023_100011215815 [0,2,0,0,0,0|2,0,0]=4 3554 B14R1.6049 Cc1ccc(c(c1)O)NC(=O)C(=O)N 22a_100000211527_100011215815 [0,2,0,0,0,0|2,0,0]=4 3555 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Br)O 22a_100012001276_100011215815 [0,2,0,0,0,0|2,0,0]=4 3556 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100011215815 [0,2,0,0,0,0|2,0,0]=4 3557 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100011215815 [0,2,0,0,0,0|2,0,0]=4 3558 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100011215815 [0,2,0,0,0,0|2,0,0]=4 3559 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100011215815 [0,2,0,0,0,0|2,0,0]=4 3560 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)Br 22a_100000210722_100011215815 [0,2,0,0,0,0|2,0,0]=4 3561 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100011215815 [0,2,0,0,0,0|2,0,0]=4 3562 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)F 22a_100000210720_100011215815 [0,2,0,0,0,0|2,0,0]=4 3563 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)I 22a_100011215594_100011215815 [0,2,0,0,0,0|2,0,0]=4 3564 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)O 22a_100000759473_100011215815 [0,2,0,0,0,0|2,0,0]=4 3565 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1I)F 22a_100000760547_100011215815 [0,2,0,0,0,0|2,0,0]=4 3566 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1I)O 22a_100010084370_100011215815 [0,2,0,0,0,0|2,0,0]=4 3567 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Br 22a_100000739049_100011215815 [0,2,0,0,0,0|2,0,0]=4 3568 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100011215815 [0,2,0,0,0,0|2,0,0]=4 3569 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)F 22a_100000753323_100011215815 [0,2,0,0,0,0|2,0,0]=4 3570 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)I 22a_100000057187_100011215815 [0,2,0,0,0,0|2,0,0]=4 3571 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100011215815 [0,2,0,0,0,0|2,0,0]=4 3572 B14R1.6049 O=C(Cc1ccc(cc1Br)Br)C(O)O 1458a_100000233687_200012351560 [0,2,0,0,0,0|0,0,2]=4 3573 B14R1.6049 O=C(Cc1ccc(cc1Br)Cl)C(O)O 1458a_100000233687_100000755608 [0,2,0,0,0,0|0,0,2]=4 3574 B14R1.6049 O=C(Cc1ccc(cc1Br)F)C(O)O 1458a_100000233687_100000243222 [0,2,0,0,0,0|0,0,2]=4 3575 B14R1.6049 O=C(Cc1ccc(cc1Br)I)C(O)O 1458a_100000233687_100010146610 [0,2,0,0,0,0|0,0,2]=4 3576 B14R1.6049 O=C(Cc1ccc(cc1Cl)Br)C(O)O 1458a_100000233687_100011740631 [0,2,0,0,0,0|0,0,2]=4 3577 B14R1.6049 O=C(Cc1ccc(cc1Cl)Cl)C(O)O 1458a_100000233687_100000188473 [0,2,0,0,0,0|0,0,2]=4 3578 B14R1.6049 O=C(Cc1ccc(cc1Cl)F)C(O)O 1458a_100000233687_100011216360 [0,2,0,0,0,0|0,0,2]=4 3579 B14R1.6049 O=C(Cc1ccc(cc1F)Br)C(O)O 1458a_100000233687_100000211606 [0,2,0,0,0,0|0,0,2]=4 3580 B14R1.6049 O=C(Cc1ccc(cc1F)Cl)C(O)O 1458a_100000233687_100000709361 [0,2,0,0,0,0|0,0,2]=4 3581 B14R1.6049 O=C(Cc1ccc(cc1F)F)C(O)O 1458a_100000233687_100000748237 [0,2,0,0,0,0|0,0,2]=4 3582 B14R1.6049 O=C(Cc1ccc(cc1F)I)C(O)O 1458a_100000233687_100010244991 [0,2,0,0,0,0|0,0,2]=4 3583 B14R1.6049 O=C(Cc1ccc(cc1I)Br)C(O)O 1458a_100000233687_100010146615 [0,2,0,0,0,0|0,0,2]=4 3584 B14R1.6049 O=C(Cc1ccc(cc1I)Cl)C(O)O 1458a_100000233687_100010254388 [0,2,0,0,0,0|0,0,2]=4 3585 B14R1.6049 O=C(Cc1ccc(cc1I)F)C(O)O 1458a_100000233687_100012354799 [0,2,0,0,0,0|0,0,2]=4 3586 B14R1.60 C#CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000184674 [0,2,0,0,0,0|2,0,0]=4 3587 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCO 1458a_100016990649_100000211926 [0,2,0,0,0,0|1,0,1]=4 3588 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC 11a_100015525214_100000066491 [0,2,0,0,0,0|2,0,0]=4 3589 B14R1.60 C=C(Cc1ccccc1)C(=O)NNC 22a_100016993582_100000066491 [0,2,0,0,0,0|2,0,0]=4 3590 B14R1.60 C=CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210623 [0,2,0,0,0,0|2,0,0]=4 3591 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,2,0,0,0,0|1,0,1]=4 3592 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,2,0,0,0,0|1,0,1]=4 3593 B14R1.60 CC/C=C(\C)/C(=O)Cc1ccccc1 1458a_100016988807_100015291786 [0,2,0,0,0,0|2,0,0]=4 3594 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210303 [0,2,0,0,0,0|2,0,0]=4 3595 B14R1.60 CCC[C@H](O)C(=O)Cc1ccccc1 1458a_100009822183_100015291786 [0,2,0,0,0,0|1,0,1]=4 3596 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 1458a_200011297158_100015291786 [0,2,0,0,0,0|1,0,0]=3 3597 B14R1.60 CCNC(=O)C(=O)Cc1ccccn1 1458a_200011297158_100000721315 [0,2,0,0,0,0|2,0,0]=4 3598 B14R1.60 CCNC(=O)C(=O)Cc1cccnc1 1458a_200011297158_100000733263 [0,2,0,0,0,0|2,0,0]=4 3599 B14R1.60 CCNC(=O)C(=O)Cc1ccncc1 1458a_200011297158_100000705612 [0,2,0,0,0,0|2,0,0]=4 3600 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297158 [0,2,0,0,0,0|2,0,0]=4 3601 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297158 [0,2,0,0,0,0|2,0,0]=4 3602 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 240690a_100015525214_100000738435 [0,2,0,0,0,0|2,0,0]=4 3603 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297158 [0,2,0,0,0,0|2,0,0]=4 3604 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [0,2,0,0,0,0|1,0,0]=3 3605 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [0,2,0,0,0,0|1,0,0]=3 3606 B14R1.60 CCOC(C)C(=O)Cc1ccccc1 1458a_100000739345_100015291786 [0,2,0,0,0,0|1,0,1]=4 3607 B14R1.60 CN(Cc1ccccc1)C(=O)CCO 240690a_100000186898_100011216618 [0,2,0,0,0,0|2,0,0]=4 3608 B14R1.60 CNNC(=O)C(=O)Nc1ccccc1 22a_100016993582_100000738435 [0,2,0,0,0,0|2,0,0]=4 3609 B14R1.60 CO/N=C(\C)/C(=O)Cc1ccccc1 1458a_100160996864_100015291786 [0,2,0,0,0,0|1,0,0]=3 3610 B14R1.60 CO/N=C(\C)/C(=O)Cc1ccccn1 1458a_100160996864_100000721315 [0,2,0,0,0,0|2,0,0]=4 3611 B14R1.60 CO/N=C(\C)/C(=O)Cc1cccnc1 1458a_100160996864_100000733263 [0,2,0,0,0,0|2,0,0]=4 3612 B14R1.60 CO/N=C(\C)/C(=O)Cc1ccncc1 1458a_100160996864_100000705612 [0,2,0,0,0,0|2,0,0]=4 3613 B14R1.60 CO/N=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100160996864 [0,2,0,0,0,0|2,0,0]=4 3614 B14R1.60 CO/N=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100160996864 [0,2,0,0,0,0|2,0,0]=4 3615 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [0,2,0,0,0,0|1,0,1]=4 3616 B14R1.60 COCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 3617 B14R1.60 COCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.60 COCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 3619 B14R1.60 COCC(=O)N(C)Cc1ccccc1 34a_100138415774_100000182870 [0,2,0,0,0,0|2,0,0]=4 3620 B14R1.60 COCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 3621 B14R1.60 COCC(C)C(=O)Cc1ccccc1 1458a_100000751857_100015291786 [0,2,0,0,0,0|1,0,1]=4 3622 B14R1.60 N#CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011214920 [0,2,0,0,0,0|2,0,0]=4 3623 B14R1.60 O=C(CCF)C(=O)Nc1ccccc1 1458a_100000738435_100011217306 [0,2,0,0,0,0|2,0,0]=4 3624 B14R1.60 O=C(CCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211926 [0,2,0,0,0,0|1,0,1]=4 3625 B14R1.60 O=C(CCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211926 [0,2,0,0,0,0|1,0,1]=4 3626 B14R1.60 O=C(CCO)C(=O)Nc1ccccc1 1458a_100000738435_100000211926 [0,2,0,0,0,0|1,0,0]=3 3627 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [0,2,0,0,0,0|0,0,2]=4 3628 B14R1.85 C/C=C(\C)/C(=O)C(C)c1ccccc1 1458a_100020587367_100000230085 [0,2,0,0,0,0|2,0,0]=4 3629 B14R1.85 C=C(CO)C(=O)N(C)c1ccccc1 22a_100000210012_200000705526 [0,2,0,0,0,0|2,0,0]=4 3630 B14R1.85 CC(C(=O)C(O)CO)c1ccccc1 1458a_100011215603_100000230085 [0,2,0,0,0,0|0,0,2]=4 3631 B14R1.85 CC(c1ccccc1)N(C)C(=O)CO 240690a_100000195388_100000210174 [0,2,0,0,0,0|2,0,0]=4 3632 B14R1.85 CC(c1ccccc1)N(C)C(=O)CO 527a_100000195388_100000210174 [0,2,0,0,0,0|2,0,0]=4 3633 B14R1.85 CCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210202 [0,2,0,0,0,0|2,0,0]=4 3634 B14R1.85 CCC(O)C(=O)C(C)c1ccccc1 1458a_100011196387_100000230085 [0,2,0,0,0,0|1,0,1]=4 3635 B14R1.85 CN(C(=O)C(=O)CF)c1ccccc1 1458a_100011297159_100015361967 [0,2,0,0,0,0|2,0,0]=4 3636 B14R1.85 CNC(=O)C(=O)C(C)c1ccccc1 1458a_100011218921_100000230085 [0,2,0,0,0,0|1,0,0]=3 3637 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100011218921 [0,2,0,0,0,0|2,0,0]=4 3638 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100102657272_100011297159 [0,2,0,0,0,0|2,0,0]=4 3639 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_100011218921 [0,2,0,0,0,0|2,0,0]=4 3640 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 240690a_100102657272_100011297159 [0,2,0,0,0,0|2,0,0]=4 3641 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 11a_100000210012_100000024059 [0,2,0,0,0,0|1,0,0]=3 3642 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100000024059 [0,2,0,0,0,0|1,0,0]=3 3643 B14R1.85 COC(C)C(=O)C(C)c1ccccc1 1458a_100000743197_100000230085 [0,2,0,0,0,0|1,0,1]=4 3644 B14R1.135 C/C=C(\C)/C(=O)Cc1cccc(c1)Br 1458a_100020587367_100000211773 [0,2,0,0,0,0|2,0,0]=4 3645 B14R1.135 C/C=C(\C)/C(=O)Cc1cccc(c1)C 1458a_100020587367_100000211840 [0,2,0,0,0,0|2,0,0]=4 3646 B14R1.135 C/C=C(\C)/C(=O)Cc1cccc(c1)Cl 1458a_100020587367_100000181238 [0,2,0,0,0,0|2,0,0]=4 3647 B14R1.135 C/C=C(\C)/C(=O)Cc1cccc(c1)F 1458a_100020587367_100000230114 [0,2,0,0,0,0|2,0,0]=4 3648 B14R1.135 C/C=C(\C)/C(=O)Cc1cccc(c1)I 1458a_100020587367_100011218688 [0,2,0,0,0,0|2,0,0]=4 3649 B14R1.135 C/C=C(\C)/C(=O)Cc1cccc(c1)O 1458a_100020587367_100011660834 [0,2,0,0,0,0|2,0,0]=4 3650 B14R1.135 C=C(CO)C(=O)Nc1cccc(c1)Br 22a_100000210019_200000705526 [0,2,0,0,0,0|2,0,0]=4 3651 B14R1.135 C=C(CO)C(=O)Nc1cccc(c1)C 22a_100000188690_200000705526 [0,2,0,0,0,0|2,0,0]=4 3652 B14R1.135 C=C(CO)C(=O)Nc1cccc(c1)Cl 22a_100000185859_200000705526 [0,2,0,0,0,0|2,0,0]=4 3653 B14R1.135 C=C(CO)C(=O)Nc1cccc(c1)F 22a_100000210047_200000705526 [0,2,0,0,0,0|2,0,0]=4 3654 B14R1.135 C=C(CO)C(=O)Nc1cccc(c1)I 22a_100000211102_200000705526 [0,2,0,0,0,0|2,0,0]=4 3655 B14R1.135 C=C(CO)C(=O)Nc1cccc(c1)O 22a_100000210217_200000705526 [0,2,0,0,0,0|2,0,0]=4 3656 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100000210202 [0,2,0,0,0,0|2,0,0]=4 3657 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100000210202 [0,2,0,0,0,0|2,0,0]=4 3658 B14R1.135 CCC(O)C(=O)Cc1cccc(c1)Br 1458a_100011196387_100000211773 [0,2,0,0,0,0|1,0,1]=4 3659 B14R1.135 CCC(O)C(=O)Cc1cccc(c1)C 1458a_100011196387_100000211840 [0,2,0,0,0,0|1,0,1]=4 3660 B14R1.135 CCC(O)C(=O)Cc1cccc(c1)Cl 1458a_100011196387_100000181238 [0,2,0,0,0,0|1,0,1]=4 3661 B14R1.135 CCC(O)C(=O)Cc1cccc(c1)F 1458a_100011196387_100000230114 [0,2,0,0,0,0|1,0,1]=4 3662 B14R1.135 CCC(O)C(=O)Cc1cccc(c1)I 1458a_100011196387_100011218688 [0,2,0,0,0,0|1,0,1]=4 3663 B14R1.135 CCC(O)C(=O)Cc1cccc(c1)O 1458a_100011196387_100011660834 [0,2,0,0,0,0|1,0,1]=4 3664 B14R1.135 CN(Cc1cccc(c1)Br)C(=O)CO 240690a_100000187585_100000210174 [0,2,0,0,0,0|2,0,0]=4 3665 B14R1.135 CN(Cc1cccc(c1)Br)C(=O)CO 527a_100000187585_100000210174 [0,2,0,0,0,0|2,0,0]=4 3666 B14R1.135 CN(Cc1cccc(c1)Cl)C(=O)CO 240690a_100020629429_100000210174 [0,2,0,0,0,0|2,0,0]=4 3667 B14R1.135 CN(Cc1cccc(c1)Cl)C(=O)CO 527a_100020629429_100000210174 [0,2,0,0,0,0|2,0,0]=4 3668 B14R1.135 CN(Cc1cccc(c1)F)C(=O)CO 240690a_100000184398_100000210174 [0,2,0,0,0,0|2,0,0]=4 3669 B14R1.135 CN(Cc1cccc(c1)F)C(=O)CO 527a_100000184398_100000210174 [0,2,0,0,0,0|2,0,0]=4 3670 B14R1.135 CN(Cc1cccc(c1)O)C(=O)CO 240690a_100000207540_100000210174 [0,2,0,0,0,0|2,0,0]=4 3671 B14R1.135 CN(Cc1cccc(c1)O)C(=O)CO 527a_100000207540_100000210174 [0,2,0,0,0,0|2,0,0]=4 3672 B14R1.135 CNC(=O)C(=O)Cc1cc(ccn1)Br 1458a_100011218921_100010173614 [0,2,0,0,0,0|2,0,0]=4 3673 B14R1.135 CNC(=O)C(=O)Cc1cc(ccn1)C 1458a_100011218921_100000718516 [0,2,0,0,0,0|2,0,0]=4 3674 B14R1.135 CNC(=O)C(=O)Cc1cc(ccn1)Cl 1458a_100011218921_100016988179 [0,2,0,0,0,0|2,0,0]=4 3675 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)Br 1458a_100011218921_100000211773 [0,2,0,0,0,0|1,0,0]=3 3676 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)C 1458a_100011218921_100000211840 [0,2,0,0,0,0|1,0,0]=3 3677 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)Cl 1458a_100011218921_100000181238 [0,2,0,0,0,0|1,0,0]=3 3678 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)F 1458a_100011218921_100000230114 [0,2,0,0,0,0|1,0,0]=3 3679 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)I 1458a_100011218921_100011218688 [0,2,0,0,0,0|1,0,0]=3 3680 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)O 1458a_100011218921_100011660834 [0,2,0,0,0,0|1,0,0]=3 3681 B14R1.135 CNC(=O)C(=O)Cc1cccc(n1)Br 1458a_100011218921_100009889011 [0,2,0,0,0,0|2,0,0]=4 3682 B14R1.135 CNC(=O)C(=O)Cc1cccc(n1)C 1458a_100011218921_100000757606 [0,2,0,0,0,0|2,0,0]=4 3683 B14R1.135 CNC(=O)C(=O)Cc1cccc(n1)Cl 1458a_100011218921_100000086093 [0,2,0,0,0,0|2,0,0]=4 3684 B14R1.135 CNC(=O)C(=O)Cc1cccc(n1)F 1458a_100011218921_100009819644 [0,2,0,0,0,0|2,0,0]=4 3685 B14R1.135 CNC(=O)C(=O)Cc1ccnc(c1)Br 1458a_100011218921_100010243470 [0,2,0,0,0,0|2,0,0]=4 3686 B14R1.135 CNC(=O)C(=O)Cc1ccnc(c1)C 1458a_100011218921_200020672517 [0,2,0,0,0,0|2,0,0]=4 3687 B14R1.135 CNC(=O)C(=O)Cc1ccnc(c1)Cl 1458a_100011218921_100000764220 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.135 CNC(=O)C(=O)Cc1cncc(c1)Br 1458a_100011218921_100011740620 [0,2,0,0,0,0|2,0,0]=4 3689 B14R1.135 CNC(=O)C(=O)Cc1cncc(c1)C 1458a_100011218921_100000716715 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.135 CNC(=O)C(=O)Cc1cncc(c1)Cl 1458a_100011218921_100016992070 [0,2,0,0,0,0|2,0,0]=4 3691 B14R1.135 CNC(=O)C(=O)Cc1cncc(c1)F 1458a_100011218921_100000725299 [0,2,0,0,0,0|2,0,0]=4 3692 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100011218921 [0,2,0,0,0,0|2,0,0]=4 3693 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011218921 [0,2,0,0,0,0|2,0,0]=4 3694 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_100011218921 [0,2,0,0,0,0|2,0,0]=4 3695 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_100011218921 [0,2,0,0,0,0|2,0,0]=4 3696 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C 22a_100000188690_100011218921 [0,2,0,0,0,0|2,0,0]=4 3697 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C 527a_100000188690_100011218921 [0,2,0,0,0,0|2,0,0]=4 3698 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011218921 [0,2,0,0,0,0|2,0,0]=4 3699 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011218921 [0,2,0,0,0,0|2,0,0]=4 3700 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100102657272_200011297299 [0,2,0,0,0,0|2,0,0]=4 3701 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_100011218921 [0,2,0,0,0,0|2,0,0]=4 3702 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011218921 [0,2,0,0,0,0|2,0,0]=4 3703 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 240690a_100102657272_200011297300 [0,2,0,0,0,0|2,0,0]=4 3704 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_100011218921 [0,2,0,0,0,0|2,0,0]=4 3705 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_100011218921 [0,2,0,0,0,0|2,0,0]=4 3706 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011218921 [0,2,0,0,0,0|2,0,0]=4 3707 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_100011218921 [0,2,0,0,0,0|2,0,0]=4 3708 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_100011218921 [0,2,0,0,0,0|2,0,0]=4 3709 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011218921 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_100011218921 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000024059 [0,2,0,0,0,0|1,0,0]=3 3712 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000024059 [0,2,0,0,0,0|1,0,0]=3 3713 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_100000024059 [0,2,0,0,0,0|1,0,0]=3 3714 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)C 11a_100000188690_100000024059 [0,2,0,0,0,0|1,0,0]=3 3715 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000024059 [0,2,0,0,0,0|1,0,0]=3 3716 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)C 527a_100000188690_100000024059 [0,2,0,0,0,0|1,0,0]=3 3717 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000024059 [0,2,0,0,0,0|1,0,0]=3 3718 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000024059 [0,2,0,0,0,0|1,0,0]=3 3719 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)F 11a_100000210047_100000024059 [0,2,0,0,0,0|1,0,0]=3 3720 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000024059 [0,2,0,0,0,0|1,0,0]=3 3721 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_100000024059 [0,2,0,0,0,0|1,0,0]=3 3722 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)I 11a_100000211102_100000024059 [0,2,0,0,0,0|1,0,0]=3 3723 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000024059 [0,2,0,0,0,0|1,0,0]=3 3724 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_100000024059 [0,2,0,0,0,0|1,0,0]=3 3725 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000024059 [0,2,0,0,0,0|1,0,0]=3 3726 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_100000024059 [0,2,0,0,0,0|1,0,0]=3 3727 B14R1.135 COC(=O)C(N)Cc1cccc(c1)O 271570a_203496583355_100102946621 [0,2,0,0,0,0|1,0,1]=4 3728 B14R1.135 COC(C)C(=O)Cc1cccc(c1)Br 1458a_100000743197_100000211773 [0,2,0,0,0,0|1,0,1]=4 3729 B14R1.135 COC(C)C(=O)Cc1cccc(c1)C 1458a_100000743197_100000211840 [0,2,0,0,0,0|1,0,1]=4 3730 B14R1.135 COC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000743197_100000181238 [0,2,0,0,0,0|1,0,1]=4 3731 B14R1.135 COC(C)C(=O)Cc1cccc(c1)F 1458a_100000743197_100000230114 [0,2,0,0,0,0|1,0,1]=4 3732 B14R1.135 COC(C)C(=O)Cc1cccc(c1)I 1458a_100000743197_100011218688 [0,2,0,0,0,0|1,0,1]=4 3733 B14R1.135 COC(C)C(=O)Cc1cccc(c1)O 1458a_100000743197_100011660834 [0,2,0,0,0,0|1,0,1]=4 3734 B14R1.135 Cc1cccc(c1)CC(=O)C(O)CO 1458a_100011215603_100000211840 [0,2,0,0,0,0|0,0,2]=4 3735 B14R1.135 Cc1cccc(c1)CN(C)C(=O)CO 240690a_102495364743_100000210174 [0,2,0,0,0,0|2,0,0]=4 3736 B14R1.135 Cc1cccc(c1)CN(C)C(=O)CO 527a_102495364743_100000210174 [0,2,0,0,0,0|2,0,0]=4 3737 B14R1.135 O=C(CF)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100015361967 [0,2,0,0,0,0|2,0,0]=4 3738 B14R1.135 O=C(CF)C(=O)Nc1cccc(c1)F 1458a_200011297300_100015361967 [0,2,0,0,0,0|2,0,0]=4 3739 B14R1.135 O=C(Cc1cccc(c1)Br)C(O)CO 1458a_100011215603_100000211773 [0,2,0,0,0,0|0,0,2]=4 3740 B14R1.135 O=C(Cc1cccc(c1)Cl)C(O)CO 1458a_100011215603_100000181238 [0,2,0,0,0,0|0,0,2]=4 3741 B14R1.135 O=C(Cc1cccc(c1)F)C(O)CO 1458a_100011215603_100000230114 [0,2,0,0,0,0|0,0,2]=4 3742 B14R1.135 O=C(Cc1cccc(c1)I)C(O)CO 1458a_100011215603_100011218688 [0,2,0,0,0,0|0,0,2]=4 3743 B14R1.135 O=C(Cc1cccc(c1)O)C(O)CO 1458a_100011215603_100011660834 [0,2,0,0,0,0|0,0,2]=4 3744 B14R1.296 CC(C)(CO)C(=O)Cc1ccccc1 1458a_100000749806_100015291786 [0,2,0,0,0,0|1,0,1]=4 3745 B14R1.296 CCC(C)(O)C(=O)Cc1ccccc1 1458a_100011219770_100015291786 [0,2,0,0,0,0|1,0,1]=4 3746 B14R1.296 COC(C)(C)C(=O)Cc1ccccc1 1458a_100000753492_100015291786 [0,2,0,0,0,0|1,0,1]=4 3747 B14R1.532 CCC(OC)C(=O)Cc1ccccc1 1458a_100000747056_100015291786 [0,2,0,0,0,0|1,0,1]=4 3748 B14R1.532 COC(OC)C(=O)Cc1ccccc1 1458a_100000046285_100015291786 [0,2,0,0,0,0|0,0,2]=4 3749 B14R1.1007 C/C=C(\C)/C(=O)Cc1ccccc1Br 1458a_100020587367_100000184730 [0,2,0,0,0,0|2,0,0]=4 3750 B14R1.1007 C/C=C(\C)/C(=O)Cc1ccccc1C 1458a_100020587367_100000211839 [0,2,0,0,0,0|2,0,0]=4 3751 B14R1.1007 C/C=C(\C)/C(=O)Cc1ccccc1Cl 1458a_100020587367_100000187162 [0,2,0,0,0,0|2,0,0]=4 3752 B14R1.1007 C/C=C(\C)/C(=O)Cc1ccccc1F 1458a_100020587367_100000187165 [0,2,0,0,0,0|2,0,0]=4 3753 B14R1.1007 C/C=C(\C)/C(=O)Cc1ccccc1I 1458a_100020587367_100011216222 [0,2,0,0,0,0|2,0,0]=4 3754 B14R1.1007 C=C(CO)C(=O)Nc1ccccc1C 22a_100015192222_200000705526 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.1007 C=C(CO)C(=O)Nc1ccccc1Cl 22a_100000185783_200000705526 [0,2,0,0,0,0|2,0,0]=4 3756 B14R1.1007 C=C(CO)C(=O)Nc1ccccc1F 22a_100000210422_200000705526 [0,2,0,0,0,0|2,0,0]=4 3757 B14R1.1007 C=C(CO)C(=O)Nc1ccccc1O 22a_100000185747_200000705526 [0,2,0,0,0,0|2,0,0]=4 3758 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_100000210202 [0,2,0,0,0,0|2,0,0]=4 3759 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100000210202 [0,2,0,0,0,0|2,0,0]=4 3760 B14R1.1007 CCC(O)C(=O)Cc1ccccc1Br 1458a_100011196387_100000184730 [0,2,0,0,0,0|1,0,1]=4 3761 B14R1.1007 CCC(O)C(=O)Cc1ccccc1C 1458a_100011196387_100000211839 [0,2,0,0,0,0|1,0,1]=4 3762 B14R1.1007 CCC(O)C(=O)Cc1ccccc1Cl 1458a_100011196387_100000187162 [0,2,0,0,0,0|1,0,1]=4 3763 B14R1.1007 CCC(O)C(=O)Cc1ccccc1F 1458a_100011196387_100000187165 [0,2,0,0,0,0|1,0,1]=4 3764 B14R1.1007 CCC(O)C(=O)Cc1ccccc1I 1458a_100011196387_100011216222 [0,2,0,0,0,0|1,0,1]=4 3765 B14R1.1007 CN(Cc1ccccc1Br)C(=O)CO 240690a_100000184654_100000210174 [0,2,0,0,0,0|2,0,0]=4 3766 B14R1.1007 CN(Cc1ccccc1Br)C(=O)CO 527a_100000184654_100000210174 [0,2,0,0,0,0|2,0,0]=4 3767 B14R1.1007 CN(Cc1ccccc1Cl)C(=O)CO 240690a_100000184507_100000210174 [0,2,0,0,0,0|2,0,0]=4 3768 B14R1.1007 CN(Cc1ccccc1Cl)C(=O)CO 527a_100000184507_100000210174 [0,2,0,0,0,0|2,0,0]=4 3769 B14R1.1007 CN(Cc1ccccc1F)C(=O)CO 240690a_100000742528_100000210174 [0,2,0,0,0,0|2,0,0]=4 3770 B14R1.1007 CN(Cc1ccccc1F)C(=O)CO 527a_100000742528_100000210174 [0,2,0,0,0,0|2,0,0]=4 3771 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO 240690a_100015189988_100000210174 [0,2,0,0,0,0|2,0,0]=4 3772 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO 527a_100015189988_100000210174 [0,2,0,0,0,0|2,0,0]=4 3773 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1Br 1458a_100011218921_100000184730 [0,2,0,0,0,0|1,0,0]=3 3774 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1C 1458a_100011218921_100000211839 [0,2,0,0,0,0|1,0,0]=3 3775 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1Cl 1458a_100011218921_100000187162 [0,2,0,0,0,0|1,0,0]=3 3776 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1F 1458a_100011218921_100000187165 [0,2,0,0,0,0|1,0,0]=3 3777 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1I 1458a_100011218921_100011216222 [0,2,0,0,0,0|1,0,0]=3 3778 B14R1.1007 CNC(=O)C(=O)Cc1cccnc1Br 1458a_100011218921_100010140945 [0,2,0,0,0,0|2,0,0]=4 3779 B14R1.1007 CNC(=O)C(=O)Cc1cccnc1C 1458a_100011218921_100000732876 [0,2,0,0,0,0|2,0,0]=4 3780 B14R1.1007 CNC(=O)C(=O)Cc1cccnc1Cl 1458a_100011218921_100000045678 [0,2,0,0,0,0|2,0,0]=4 3781 B14R1.1007 CNC(=O)C(=O)Cc1cccnc1F 1458a_100011218921_100000099810 [0,2,0,0,0,0|2,0,0]=4 3782 B14R1.1007 CNC(=O)C(=O)Cc1ccncc1C 1458a_100011218921_100020672808 [0,2,0,0,0,0|2,0,0]=4 3783 B14R1.1007 CNC(=O)C(=O)Cc1ccncc1Cl 1458a_100011218921_100000763264 [0,2,0,0,0,0|2,0,0]=4 3784 B14R1.1007 CNC(=O)C(=O)Cc1cnccc1C 1458a_100011218921_100000690890 [0,2,0,0,0,0|2,0,0]=4 3785 B14R1.1007 CNC(=O)C(=O)Cc1ncccc1Br 1458a_100011218921_100025702911 [0,2,0,0,0,0|2,0,0]=4 3786 B14R1.1007 CNC(=O)C(=O)Cc1ncccc1C 1458a_100011218921_100000696600 [0,2,0,0,0,0|2,0,0]=4 3787 B14R1.1007 CNC(=O)C(=O)Cc1ncccc1Cl 1458a_100011218921_100000099807 [0,2,0,0,0,0|2,0,0]=4 3788 B14R1.1007 CNC(=O)C(=O)Cc1ncccc1F 1458a_100011218921_100000104219 [0,2,0,0,0,0|2,0,0]=4 3789 B14R1.1007 CNC(=O)C(=O)Cc1ncccc1O 1458a_100011218921_200020655725 [0,2,0,0,0,0|2,0,0]=4 3790 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_100011218921 [0,2,0,0,0,0|2,0,0]=4 3791 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_100011218921 [0,2,0,0,0,0|2,0,0]=4 3792 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 22a_100015192222_100011218921 [0,2,0,0,0,0|2,0,0]=4 3793 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 240690a_100102657272_200011297352 [0,2,0,0,0,0|2,0,0]=4 3794 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 527a_100015192222_100011218921 [0,2,0,0,0,0|2,0,0]=4 3795 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_100011218921 [0,2,0,0,0,0|2,0,0]=4 3796 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011218921 [0,2,0,0,0,0|2,0,0]=4 3797 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 240690a_100102657272_200011297307 [0,2,0,0,0,0|2,0,0]=4 3798 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_100011218921 [0,2,0,0,0,0|2,0,0]=4 3799 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_100011218921 [0,2,0,0,0,0|2,0,0]=4 3800 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011218921 [0,2,0,0,0,0|2,0,0]=4 3801 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 240690a_100102657272_200011297310 [0,2,0,0,0,0|2,0,0]=4 3802 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 527a_100000210422_100011218921 [0,2,0,0,0,0|2,0,0]=4 3803 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_100011218921 [0,2,0,0,0,0|2,0,0]=4 3804 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011218921 [0,2,0,0,0,0|2,0,0]=4 3805 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1O 527a_100000185747_100011218921 [0,2,0,0,0,0|2,0,0]=4 3806 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br 11a_100000210017_100000024059 [0,2,0,0,0,0|1,0,0]=3 3807 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_100000024059 [0,2,0,0,0,0|1,0,0]=3 3808 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 11a_100015192222_100000024059 [0,2,0,0,0,0|1,0,0]=3 3809 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_100000024059 [0,2,0,0,0,0|1,0,0]=3 3810 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 527a_100015192222_100000024059 [0,2,0,0,0,0|1,0,0]=3 3811 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 11a_100000185783_100000024059 [0,2,0,0,0,0|1,0,0]=3 3812 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000024059 [0,2,0,0,0,0|1,0,0]=3 3813 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_100000024059 [0,2,0,0,0,0|1,0,0]=3 3814 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 11a_100000210422_100000024059 [0,2,0,0,0,0|1,0,0]=3 3815 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_100000024059 [0,2,0,0,0,0|1,0,0]=3 3816 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 527a_100000210422_100000024059 [0,2,0,0,0,0|1,0,0]=3 3817 B14R1.1007 COC(=O)C(=O)Nc1ccccc1I 11a_100000210053_100000024059 [0,2,0,0,0,0|1,0,0]=3 3818 B14R1.1007 COC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_100000024059 [0,2,0,0,0,0|1,0,0]=3 3819 B14R1.1007 COC(=O)C(=O)Nc1ccccc1O 527a_100000185747_100000024059 [0,2,0,0,0,0|1,0,0]=3 3820 B14R1.1007 COC(C)C(=O)Cc1ccccc1Br 1458a_100000743197_100000184730 [0,2,0,0,0,0|1,0,1]=4 3821 B14R1.1007 COC(C)C(=O)Cc1ccccc1C 1458a_100000743197_100000211839 [0,2,0,0,0,0|1,0,1]=4 3822 B14R1.1007 COC(C)C(=O)Cc1ccccc1Cl 1458a_100000743197_100000187162 [0,2,0,0,0,0|1,0,1]=4 3823 B14R1.1007 COC(C)C(=O)Cc1ccccc1F 1458a_100000743197_100000187165 [0,2,0,0,0,0|1,0,1]=4 3824 B14R1.1007 COC(C)C(=O)Cc1ccccc1I 1458a_100000743197_100011216222 [0,2,0,0,0,0|1,0,1]=4 3825 B14R1.1007 Cc1ccccc1CC(=O)C(O)CO 1458a_100011215603_100000211839 [0,2,0,0,0,0|0,0,2]=4 3826 B14R1.1007 Cc1ccccc1CN(C)C(=O)CO 240690a_100000184421_100000210174 [0,2,0,0,0,0|2,0,0]=4 3827 B14R1.1007 Cc1ccccc1CN(C)C(=O)CO 527a_100000184421_100000210174 [0,2,0,0,0,0|2,0,0]=4 3828 B14R1.1007 Cc1ccccc1NC(=O)C(=O)CF 1458a_200011297352_100015361967 [0,2,0,0,0,0|2,0,0]=4 3829 B14R1.1007 O=C(CF)C(=O)Nc1ccccc1F 1458a_200011297310_100015361967 [0,2,0,0,0,0|2,0,0]=4 3830 B14R1.1007 O=C(Cc1ccccc1Br)C(O)CO 1458a_100011215603_100000184730 [0,2,0,0,0,0|0,0,2]=4 3831 B14R1.1007 O=C(Cc1ccccc1Cl)C(O)CO 1458a_100011215603_100000187162 [0,2,0,0,0,0|0,0,2]=4 3832 B14R1.1007 O=C(Cc1ccccc1F)C(O)CO 1458a_100011215603_100000187165 [0,2,0,0,0,0|0,0,2]=4 3833 B14R1.1007 O=C(Cc1ccccc1I)C(O)CO 1458a_100011215603_100011216222 [0,2,0,0,0,0|0,0,2]=4 3834 B14R1.1031 CCN(Cc1ccccc1)C(=O)CO 240690a_100000186914_100000210174 [0,2,0,0,0,0|2,0,0]=4 3835 B14R1.1031 CCN(Cc1ccccc1)C(=O)CO 527a_100000186914_100000210174 [0,2,0,0,0,0|2,0,0]=4 3836 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC 34a_100102657272_100000764117 [0,2,0,0,0,0|1,0,1]=4 3837 B14R1.1031 COC(=O)C(C=O)Nc1ccccc1 34a_100000106764_100000046368 [0,2,0,0,0,0|1,0,1]=4 3838 B14R1.1031 COC(=O)C(C=O)Oc1ccccc1 34a_100000210340_100000046368 [0,2,0,0,0,0|1,0,1]=4 3839 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000046368_100000041952 [0,2,0,0,0,0|1,0,1]=4 3840 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000719477_100000046368 [0,2,0,0,0,0|1,0,1]=4 3841 B14R1.1031 COC(=O)C(Cc1ccccc1)OC 34a_100138415774_100000764117 [0,2,0,0,0,0|0,0,2]=4 3842 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_100000764117_200000210301 [0,2,0,0,0,0|0,1,1]=4 3843 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_200000210301_100000764117 [0,2,0,0,0,0|0,1,1]=4 3844 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_100000764117_200025704644 [0,2,0,0,0,0|0,1,1]=4 3845 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_200025704644_100000764117 [0,2,0,0,0,0|0,1,1]=4 3846 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 34a_100009819611_200000210301 [0,2,0,0,0,0|0,0,2]=4 3847 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 7a_100009819611_200000210301 [0,2,0,0,0,0|0,0,2]=4 3848 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 34a_100009819611_200025704644 [0,2,0,0,0,0|0,0,2]=4 3849 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 7a_100009819611_200025704644 [0,2,0,0,0,0|0,0,2]=4 3850 B14R1.1031 N#CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_100000183401 [0,2,0,0,0,0|1,0,1]=4 3851 B14R1.75 C#Cc1cccc(c1)NC(=O)C(=O)N 22a_100000735509_100011215815 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.75 C=C(C)C(=O)Cc1cccc(c1)C#N 1458a_100000185857_100000233786 [0,2,0,0,0,0|2,0,0]=4 3853 B14R1.75 C=C(C)C(=O)Cc1cccc(c1)C=O 1458a_100000185857_100009816774 [0,2,0,0,0,0|2,0,0]=4 3854 B14R1.75 C=C(C)C(=O)Cc1cccc(c1)CO 1458a_100000185857_100010188025 [0,2,0,0,0,0|2,0,0]=4 3855 B14R1.75 C=C(C)C(=O)Cc1cccc(c1)OC 1458a_100000185857_100000211672 [0,2,0,0,0,0|2,0,0]=4 3856 B14R1.75 C=Cc1cccc(c1)NC(=O)C(=O)N 22a_100011827668_100011215815 [0,2,0,0,0,0|2,0,0]=4 3857 B14R1.75 CCc1cccc(c1)NC(=O)C(=O)N 22a_100000211250_100011215815 [0,2,0,0,0,0|2,0,0]=4 3858 B14R1.75 COc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211672 [0,2,0,0,0,0|0,0,2]=4 3859 B14R1.75 COc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211672 [0,2,0,0,0,0|1,0,1]=4 3860 B14R1.75 COc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211672 [0,2,0,0,0,0|1,0,1]=4 3861 B14R1.75 COc1cccc(c1)NC(=O)C(=O)N 22a_100000210024_100011215815 [0,2,0,0,0,0|2,0,0]=4 3862 B14R1.75 CSc1cccc(c1)NC(=O)C(=O)N 22a_100000210049_100011215815 [0,2,0,0,0,0|2,0,0]=4 3863 B14R1.75 C[C@@H](O)C(=O)Cc1cccc(c1)C#N 1458a_100000717761_100000233786 [0,2,0,0,0,0|1,0,1]=4 3864 B14R1.75 C[C@@H](O)C(=O)Cc1cccc(c1)C=O 1458a_100000717761_100009816774 [0,2,0,0,0,0|1,0,1]=4 3865 B14R1.75 C[C@@H](O)C(=O)Cc1cccc(c1)CO 1458a_100000717761_100010188025 [0,2,0,0,0,0|1,0,1]=4 3866 B14R1.75 C[C@H](O)C(=O)Cc1cccc(c1)C#N 1458a_217856618621_100000233786 [0,2,0,0,0,0|1,0,1]=4 3867 B14R1.75 C[C@H](O)C(=O)Cc1cccc(c1)C=O 1458a_217856618621_100009816774 [0,2,0,0,0,0|1,0,1]=4 3868 B14R1.75 C[C@H](O)C(=O)Cc1cccc(c1)CO 1458a_217856618621_100010188025 [0,2,0,0,0,0|1,0,1]=4 3869 B14R1.75 N#Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000233786 [0,2,0,0,0,0|0,0,2]=4 3870 B14R1.75 N#Cc1cccc(c1)NC(=O)C(=O)N 22a_100000210922_100011215815 [0,2,0,0,0,0|2,0,0]=4 3871 B14R1.75 NC(=O)C(=O)Nc1cccc(c1)CF 22a_100000126320_100011215815 [0,2,0,0,0,0|2,0,0]=4 3872 B14R1.75 NC(=O)C(=O)Nc1cccc(c1)CO 22a_100000211919_100011215815 [0,2,0,0,0,0|2,0,0]=4 3873 B14R1.75 O=C(Cc1cccc(c1)CO)C(O)O 1458a_100000233687_100010188025 [0,2,0,0,0,0|0,0,2]=4 3874 B14R1.75 O=Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100009816774 [0,2,0,0,0,0|0,0,2]=4 3875 B14R1.150 CN(C(=O)C(=O)N)c1cccc(c1)Br 22a_100000219648_100011215815 [0,2,0,0,0,0|2,0,0]=4 3876 B14R1.150 CN(C(=O)C(=O)N)c1cccc(c1)Cl 22a_100000220044_100011215815 [0,2,0,0,0,0|2,0,0]=4 3877 B14R1.150 CN(C(=O)C(=O)N)c1cccc(c1)F 22a_100020633736_100011215815 [0,2,0,0,0,0|2,0,0]=4 3878 B14R1.150 CN(C(=O)C(=O)N)c1cccc(c1)I 22a_100000221217_100011215815 [0,2,0,0,0,0|2,0,0]=4 3879 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(=O)N 22a_100000219674_100011215815 [0,2,0,0,0,0|2,0,0]=4 3880 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Br)C 1458a_100000185857_200012349612 [0,2,0,0,0,0|2,0,0]=4 3881 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Br)Cl 1458a_100000185857_100010145525 [0,2,0,0,0,0|2,0,0]=4 3882 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Br)F 1458a_100000185857_100012351116 [0,2,0,0,0,0|2,0,0]=4 3883 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Br)I 1458a_100000185857_100010254545 [0,2,0,0,0,0|2,0,0]=4 3884 B14R1.153 C=C(C)C(=O)Cc1cccc(c1C)Br 1458a_100000185857_100000694682 [0,2,0,0,0,0|2,0,0]=4 3885 B14R1.153 C=C(C)C(=O)Cc1cccc(c1C)C 1458a_100000185857_100011515928 [0,2,0,0,0,0|2,0,0]=4 3886 B14R1.153 C=C(C)C(=O)Cc1cccc(c1C)Cl 1458a_100000185857_100012186920 [0,2,0,0,0,0|2,0,0]=4 3887 B14R1.153 C=C(C)C(=O)Cc1cccc(c1C)F 1458a_100000185857_100009813626 [0,2,0,0,0,0|2,0,0]=4 3888 B14R1.153 C=C(C)C(=O)Cc1cccc(c1C)I 1458a_100000185857_100010150147 [0,2,0,0,0,0|2,0,0]=4 3889 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Cl)Br 1458a_100000185857_100012349491 [0,2,0,0,0,0|2,0,0]=4 3890 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Cl)Cl 1458a_100000185857_100000720918 [0,2,0,0,0,0|2,0,0]=4 3891 B14R1.153 C=C(C)C(=O)Cc1cccc(c1Cl)F 1458a_100000185857_100000696688 [0,2,0,0,0,0|2,0,0]=4 3892 B14R1.153 C=C(C)C(=O)Cc1cccc(c1F)Br 1458a_100000185857_100012356507 [0,2,0,0,0,0|2,0,0]=4 3893 B14R1.153 C=C(C)C(=O)Cc1cccc(c1F)C 1458a_100000185857_100011216058 [0,2,0,0,0,0|2,0,0]=4 3894 B14R1.153 C=C(C)C(=O)Cc1cccc(c1F)Cl 1458a_100000185857_100000716733 [0,2,0,0,0,0|2,0,0]=4 3895 B14R1.153 C=C(C)C(=O)Cc1cccc(c1F)F 1458a_100000185857_100000217499 [0,2,0,0,0,0|2,0,0]=4 3896 B14R1.153 C=C(C)C(=O)Cc1cccc(c1I)F 1458a_100000185857_100010149603 [0,2,0,0,0,0|2,0,0]=4 3897 B14R1.153 CC(=O)C(=O)Nc1cccc(c1C)C 1458a_200011297339_200000210301 [0,2,0,0,0,0|2,0,0]=4 3898 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1Br)Cl 1458a_100000717761_100010145525 [0,2,0,0,0,0|1,0,1]=4 3899 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1Br)F 1458a_100000717761_100012351116 [0,2,0,0,0,0|1,0,1]=4 3900 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1Br)I 1458a_100000717761_100010254545 [0,2,0,0,0,0|1,0,1]=4 3901 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1Cl)Br 1458a_100000717761_100012349491 [0,2,0,0,0,0|1,0,1]=4 3902 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1Cl)Cl 1458a_100000717761_100000720918 [0,2,0,0,0,0|1,0,1]=4 3903 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1Cl)F 1458a_100000717761_100000696688 [0,2,0,0,0,0|1,0,1]=4 3904 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1F)Br 1458a_100000717761_100012356507 [0,2,0,0,0,0|1,0,1]=4 3905 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1F)Cl 1458a_100000717761_100000716733 [0,2,0,0,0,0|1,0,1]=4 3906 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1F)F 1458a_100000717761_100000217499 [0,2,0,0,0,0|1,0,1]=4 3907 B14R1.153 C[C@@H](O)C(=O)Cc1cccc(c1I)F 1458a_100000717761_100010149603 [0,2,0,0,0,0|1,0,1]=4 3908 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1Br)Cl 1458a_217856618621_100010145525 [0,2,0,0,0,0|1,0,1]=4 3909 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1Br)F 1458a_217856618621_100012351116 [0,2,0,0,0,0|1,0,1]=4 3910 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1Br)I 1458a_217856618621_100010254545 [0,2,0,0,0,0|1,0,1]=4 3911 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1Cl)Br 1458a_217856618621_100012349491 [0,2,0,0,0,0|1,0,1]=4 3912 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1Cl)Cl 1458a_217856618621_100000720918 [0,2,0,0,0,0|1,0,1]=4 3913 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1Cl)F 1458a_217856618621_100000696688 [0,2,0,0,0,0|1,0,1]=4 3914 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1F)Br 1458a_217856618621_100012356507 [0,2,0,0,0,0|1,0,1]=4 3915 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1F)Cl 1458a_217856618621_100000716733 [0,2,0,0,0,0|1,0,1]=4 3916 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1F)F 1458a_217856618621_100000217499 [0,2,0,0,0,0|1,0,1]=4 3917 B14R1.153 C[C@H](O)C(=O)Cc1cccc(c1I)F 1458a_217856618621_100010149603 [0,2,0,0,0,0|1,0,1]=4 3918 B14R1.153 Cc1c(cccc1CC(=O)C(O)O)Br 1458a_100000233687_100000694682 [0,2,0,0,0,0|0,0,2]=4 3919 B14R1.153 Cc1c(cccc1CC(=O)C(O)O)Cl 1458a_100000233687_100012186920 [0,2,0,0,0,0|0,0,2]=4 3920 B14R1.153 Cc1c(cccc1CC(=O)C(O)O)F 1458a_100000233687_100009813626 [0,2,0,0,0,0|0,0,2]=4 3921 B14R1.153 Cc1c(cccc1CC(=O)C(O)O)I 1458a_100000233687_100010150147 [0,2,0,0,0,0|0,0,2]=4 3922 B14R1.153 Cc1c(cccc1CC(=O)[C@@H](C)O)Br 1458a_100000717761_100000694682 [0,2,0,0,0,0|1,0,1]=4 3923 B14R1.153 Cc1c(cccc1CC(=O)[C@@H](C)O)Cl 1458a_100000717761_100012186920 [0,2,0,0,0,0|1,0,1]=4 3924 B14R1.153 Cc1c(cccc1CC(=O)[C@@H](C)O)F 1458a_100000717761_100009813626 [0,2,0,0,0,0|1,0,1]=4 3925 B14R1.153 Cc1c(cccc1CC(=O)[C@@H](C)O)I 1458a_100000717761_100010150147 [0,2,0,0,0,0|1,0,1]=4 3926 B14R1.153 Cc1c(cccc1CC(=O)[C@H](C)O)Br 1458a_217856618621_100000694682 [0,2,0,0,0,0|1,0,1]=4 3927 B14R1.153 Cc1c(cccc1CC(=O)[C@H](C)O)Cl 1458a_217856618621_100012186920 [0,2,0,0,0,0|1,0,1]=4 3928 B14R1.153 Cc1c(cccc1CC(=O)[C@H](C)O)F 1458a_217856618621_100009813626 [0,2,0,0,0,0|1,0,1]=4 3929 B14R1.153 Cc1c(cccc1CC(=O)[C@H](C)O)I 1458a_217856618621_100010150147 [0,2,0,0,0,0|1,0,1]=4 3930 B14R1.153 Cc1c(cccc1NC(=O)C(=O)N)Br 22a_100000750434_100011215815 [0,2,0,0,0,0|2,0,0]=4 3931 B14R1.153 Cc1c(cccc1NC(=O)C(=O)N)Cl 22a_100000210441_100011215815 [0,2,0,0,0,0|2,0,0]=4 3932 B14R1.153 Cc1c(cccc1NC(=O)C(=O)N)F 22a_100000745574_100011215815 [0,2,0,0,0,0|2,0,0]=4 3933 B14R1.153 Cc1c(cccc1NC(=O)C(=O)N)I 22a_100000761887_100011215815 [0,2,0,0,0,0|2,0,0]=4 3934 B14R1.153 Cc1c(cccc1NC(=O)C(=O)N)O 22a_100011216573_100011215815 [0,2,0,0,0,0|2,0,0]=4 3935 B14R1.153 Cc1cccc(c1Br)CC(=O)C(O)O 1458a_100000233687_200012349612 [0,2,0,0,0,0|0,0,2]=4 3936 B14R1.153 Cc1cccc(c1Br)CC(=O)[C@@H](C)O 1458a_100000717761_200012349612 [0,2,0,0,0,0|1,0,1]=4 3937 B14R1.153 Cc1cccc(c1Br)CC(=O)[C@H](C)O 1458a_217856618621_200012349612 [0,2,0,0,0,0|1,0,1]=4 3938 B14R1.153 Cc1cccc(c1Br)NC(=O)C(=O)N 22a_100000684715_100011215815 [0,2,0,0,0,0|2,0,0]=4 3939 B14R1.153 Cc1cccc(c1C)CC(=O)C(O)O 1458a_100000233687_100011515928 [0,2,0,0,0,0|0,0,2]=4 3940 B14R1.153 Cc1cccc(c1C)CC(=O)[C@@H](C)O 1458a_100000717761_100011515928 [0,2,0,0,0,0|1,0,1]=4 3941 B14R1.153 Cc1cccc(c1C)CC(=O)[C@H](C)O 1458a_217856618621_100011515928 [0,2,0,0,0,0|1,0,1]=4 3942 B14R1.153 Cc1cccc(c1C)NC(=O)C(=O)N 22a_100000210026_100011215815 [0,2,0,0,0,0|2,0,0]=4 3943 B14R1.153 Cc1cccc(c1C)NC(=O)C(=O)[13CH3] 1458a_200011297339_200025704644 [0,2,0,0,0,0|2,0,0]=4 3944 B14R1.153 Cc1cccc(c1Cl)NC(=O)C(=O)N 22a_100000765562_100011215815 [0,2,0,0,0,0|2,0,0]=4 3945 B14R1.153 Cc1cccc(c1F)CC(=O)C(O)O 1458a_100000233687_100011216058 [0,2,0,0,0,0|0,0,2]=4 3946 B14R1.153 Cc1cccc(c1F)CC(=O)[C@@H](C)O 1458a_100000717761_100011216058 [0,2,0,0,0,0|1,0,1]=4 3947 B14R1.153 Cc1cccc(c1F)CC(=O)[C@H](C)O 1458a_217856618621_100011216058 [0,2,0,0,0,0|1,0,1]=4 3948 B14R1.153 Cc1cccc(c1O)NC(=O)C(=O)N 22a_100000756359_100011215815 [0,2,0,0,0,0|2,0,0]=4 3949 B14R1.153 NC(=O)C(=O)Nc1cccc(c1Br)O 22a_100012183704_100011215815 [0,2,0,0,0,0|2,0,0]=4 3950 B14R1.153 NC(=O)C(=O)Nc1cccc(c1Cl)F 22a_100000692321_100011215815 [0,2,0,0,0,0|2,0,0]=4 3951 B14R1.153 NC(=O)C(=O)Nc1cccc(c1Cl)O 22a_100012002038_100011215815 [0,2,0,0,0,0|2,0,0]=4 3952 B14R1.153 NC(=O)C(=O)Nc1cccc(c1F)Br 22a_100011935091_100011215815 [0,2,0,0,0,0|2,0,0]=4 3953 B14R1.153 NC(=O)C(=O)Nc1cccc(c1F)Cl 22a_100000199060_100011215815 [0,2,0,0,0,0|2,0,0]=4 3954 B14R1.153 NC(=O)C(=O)Nc1cccc(c1F)F 22a_100000743855_100011215815 [0,2,0,0,0,0|2,0,0]=4 3955 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)Br 22a_100011934915_100011215815 [0,2,0,0,0,0|2,0,0]=4 3956 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)Cl 22a_100000754742_100011215815 [0,2,0,0,0,0|2,0,0]=4 3957 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)F 22a_100011934987_100011215815 [0,2,0,0,0,0|2,0,0]=4 3958 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)I 22a_100010084371_100011215815 [0,2,0,0,0,0|2,0,0]=4 3959 B14R1.153 O=C(Cc1cccc(c1Br)Cl)C(O)O 1458a_100000233687_100010145525 [0,2,0,0,0,0|0,0,2]=4 3960 B14R1.153 O=C(Cc1cccc(c1Br)F)C(O)O 1458a_100000233687_100012351116 [0,2,0,0,0,0|0,0,2]=4 3961 B14R1.153 O=C(Cc1cccc(c1Br)I)C(O)O 1458a_100000233687_100010254545 [0,2,0,0,0,0|0,0,2]=4 3962 B14R1.153 O=C(Cc1cccc(c1Cl)Br)C(O)O 1458a_100000233687_100012349491 [0,2,0,0,0,0|0,0,2]=4 3963 B14R1.153 O=C(Cc1cccc(c1Cl)Cl)C(O)O 1458a_100000233687_100000720918 [0,2,0,0,0,0|0,0,2]=4 3964 B14R1.153 O=C(Cc1cccc(c1Cl)F)C(O)O 1458a_100000233687_100000696688 [0,2,0,0,0,0|0,0,2]=4 3965 B14R1.153 O=C(Cc1cccc(c1F)Br)C(O)O 1458a_100000233687_100012356507 [0,2,0,0,0,0|0,0,2]=4 3966 B14R1.153 O=C(Cc1cccc(c1F)Cl)C(O)O 1458a_100000233687_100000716733 [0,2,0,0,0,0|0,0,2]=4 3967 B14R1.153 O=C(Cc1cccc(c1F)F)C(O)O 1458a_100000233687_100000217499 [0,2,0,0,0,0|0,0,2]=4 3968 B14R1.153 O=C(Cc1cccc(c1I)F)C(O)O 1458a_100000233687_100010149603 [0,2,0,0,0,0|0,0,2]=4 3969 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200000210301 [0,2,0,0,0,0|1,0,1]=4 3970 B14R1.542 CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200000210301 [0,2,0,0,0,0|1,0,1]=4 3971 B14R1.542 [13CH3]NC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200025704644 [0,2,0,0,0,0|1,0,1]=4 3972 B14R1.542 [13CH3]NC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200025704644 [0,2,0,0,0,0|1,0,1]=4 3973 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)Br)Br 1458a_100000185857_100011216082 [0,2,0,0,0,0|2,0,0]=4 3974 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)Br)C 1458a_100000185857_100012348363 [0,2,0,0,0,0|2,0,0]=4 3975 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)Br)F 1458a_100000185857_100000766940 [0,2,0,0,0,0|2,0,0]=4 3976 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)C)C 1458a_100000185857_100000181317 [0,2,0,0,0,0|2,0,0]=4 3977 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000185857_100011219208 [0,2,0,0,0,0|2,0,0]=4 3978 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)Cl)F 1458a_100000185857_100011219885 [0,2,0,0,0,0|2,0,0]=4 3979 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)F)C 1458a_100000185857_100011219130 [0,2,0,0,0,0|2,0,0]=4 3980 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)F)F 1458a_100000185857_100000697002 [0,2,0,0,0,0|2,0,0]=4 3981 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)I)Br 1458a_100000185857_100010146614 [0,2,0,0,0,0|2,0,0]=4 3982 B14R1.4257 C=C(C)C(=O)Cc1cc(cc(c1)I)F 1458a_100000185857_100010149605 [0,2,0,0,0,0|2,0,0]=4 3983 B14R1.4257 CC(=O)C(=O)Nc1cc(cc(c1)C)C 1458a_200011297318_200000210301 [0,2,0,0,0,0|2,0,0]=4 3984 B14R1.4257 CC(=O)C(=O)Nc1cc(cc(c1)F)F 1458a_200011297330_200000210301 [0,2,0,0,0,0|2,0,0]=4 3985 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)Br)Br 1458a_100000717761_100011216082 [0,2,0,0,0,0|1,0,1]=4 3986 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)Br)F 1458a_100000717761_100000766940 [0,2,0,0,0,0|1,0,1]=4 3987 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000717761_100011219208 [0,2,0,0,0,0|1,0,1]=4 3988 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)Cl)F 1458a_100000717761_100011219885 [0,2,0,0,0,0|1,0,1]=4 3989 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)F)F 1458a_100000717761_100000697002 [0,2,0,0,0,0|1,0,1]=4 3990 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)I)Br 1458a_100000717761_100010146614 [0,2,0,0,0,0|1,0,1]=4 3991 B14R1.4257 C[C@@H](O)C(=O)Cc1cc(cc(c1)I)F 1458a_100000717761_100010149605 [0,2,0,0,0,0|1,0,1]=4 3992 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)Br)Br 1458a_217856618621_100011216082 [0,2,0,0,0,0|1,0,1]=4 3993 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)Br)F 1458a_217856618621_100000766940 [0,2,0,0,0,0|1,0,1]=4 3994 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_217856618621_100011219208 [0,2,0,0,0,0|1,0,1]=4 3995 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)Cl)F 1458a_217856618621_100011219885 [0,2,0,0,0,0|1,0,1]=4 3996 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)F)F 1458a_217856618621_100000697002 [0,2,0,0,0,0|1,0,1]=4 3997 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)I)Br 1458a_217856618621_100010146614 [0,2,0,0,0,0|1,0,1]=4 3998 B14R1.4257 C[C@H](O)C(=O)Cc1cc(cc(c1)I)F 1458a_217856618621_100010149605 [0,2,0,0,0,0|1,0,1]=4 3999 B14R1.4257 Cc1cc(cc(c1)CC(=O)C(O)O)Br 1458a_100000233687_100012348363 [0,2,0,0,0,0|0,0,2]=4 4000 B14R1.4257 Cc1cc(cc(c1)CC(=O)C(O)O)C 1458a_100000233687_100000181317 [0,2,0,0,0,0|0,0,2]=4 4001 B14R1.4257 Cc1cc(cc(c1)CC(=O)C(O)O)F 1458a_100000233687_100011219130 [0,2,0,0,0,0|0,0,2]=4 4002 B14R1.4257 Cc1cc(cc(c1)CC(=O)[C@@H](C)O)Br 1458a_100000717761_100012348363 [0,2,0,0,0,0|1,0,1]=4 4003 B14R1.4257 Cc1cc(cc(c1)CC(=O)[C@@H](C)O)C 1458a_100000717761_100000181317 [0,2,0,0,0,0|1,0,1]=4 4004 B14R1.4257 Cc1cc(cc(c1)CC(=O)[C@@H](C)O)F 1458a_100000717761_100011219130 [0,2,0,0,0,0|1,0,1]=4 4005 B14R1.4257 Cc1cc(cc(c1)CC(=O)[C@H](C)O)Br 1458a_217856618621_100012348363 [0,2,0,0,0,0|1,0,1]=4 4006 B14R1.4257 Cc1cc(cc(c1)CC(=O)[C@H](C)O)C 1458a_217856618621_100000181317 [0,2,0,0,0,0|1,0,1]=4 4007 B14R1.4257 Cc1cc(cc(c1)CC(=O)[C@H](C)O)F 1458a_217856618621_100011219130 [0,2,0,0,0,0|1,0,1]=4 4008 B14R1.4257 Cc1cc(cc(c1)NC(=O)C(=O)N)Br 22a_100000695972_100011215815 [0,2,0,0,0,0|2,0,0]=4 4009 B14R1.4257 Cc1cc(cc(c1)NC(=O)C(=O)N)C 22a_100000210930_100011215815 [0,2,0,0,0,0|2,0,0]=4 4010 B14R1.4257 Cc1cc(cc(c1)NC(=O)C(=O)N)Cl 22a_100012022512_100011215815 [0,2,0,0,0,0|2,0,0]=4 4011 B14R1.4257 Cc1cc(cc(c1)NC(=O)C(=O)N)F 22a_100000742734_100011215815 [0,2,0,0,0,0|2,0,0]=4 4012 B14R1.4257 Cc1cc(cc(c1)NC(=O)C(=O)N)O 22a_100011995906_100011215815 [0,2,0,0,0,0|2,0,0]=4 4013 B14R1.4257 Cc1cc(cc(c1)NC(=O)C(=O)[13CH3])C 1458a_200011297318_200025704644 [0,2,0,0,0,0|2,0,0]=4 4014 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100011215815 [0,2,0,0,0,0|2,0,0]=4 4015 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100011215815 [0,2,0,0,0,0|2,0,0]=4 4016 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100011215815 [0,2,0,0,0,0|2,0,0]=4 4017 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100011215815 [0,2,0,0,0,0|2,0,0]=4 4018 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100011215815 [0,2,0,0,0,0|2,0,0]=4 4019 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100011215815 [0,2,0,0,0,0|2,0,0]=4 4020 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100011215815 [0,2,0,0,0,0|2,0,0]=4 4021 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100011215815 [0,2,0,0,0,0|2,0,0]=4 4022 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100011215815 [0,2,0,0,0,0|2,0,0]=4 4023 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100011215815 [0,2,0,0,0,0|2,0,0]=4 4024 B14R1.4257 NC(=O)C(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100011215815 [0,2,0,0,0,0|2,0,0]=4 4025 B14R1.4257 O=C(Cc1cc(cc(c1)Br)Br)C(O)O 1458a_100000233687_100011216082 [0,2,0,0,0,0|0,0,2]=4 4026 B14R1.4257 O=C(Cc1cc(cc(c1)Br)F)C(O)O 1458a_100000233687_100000766940 [0,2,0,0,0,0|0,0,2]=4 4027 B14R1.4257 O=C(Cc1cc(cc(c1)Cl)Cl)C(O)O 1458a_100000233687_100011219208 [0,2,0,0,0,0|0,0,2]=4 4028 B14R1.4257 O=C(Cc1cc(cc(c1)Cl)F)C(O)O 1458a_100000233687_100011219885 [0,2,0,0,0,0|0,0,2]=4 4029 B14R1.4257 O=C(Cc1cc(cc(c1)F)F)C(O)O 1458a_100000233687_100000697002 [0,2,0,0,0,0|0,0,2]=4 4030 B14R1.4257 O=C(Cc1cc(cc(c1)I)Br)C(O)O 1458a_100000233687_100010146614 [0,2,0,0,0,0|0,0,2]=4 4031 B14R1.4257 O=C(Cc1cc(cc(c1)I)F)C(O)O 1458a_100000233687_100010149605 [0,2,0,0,0,0|0,0,2]=4 4032 B14R1.4257 [13CH3]C(=O)C(=O)Nc1cc(cc(c1)F)F 1458a_200011297330_200025704644 [0,2,0,0,0,0|2,0,0]=4 4033 B14R1.4405 CC(C)(O)C(=O)Cc1cccc(c1)Br 1458a_100000242741_100000211773 [0,2,0,0,0,0|1,0,1]=4 4034 B14R1.4405 CC(C)(O)C(=O)Cc1cccc(c1)Cl 1458a_100000242741_100000181238 [0,2,0,0,0,0|1,0,1]=4 4035 B14R1.4405 CC(C)(O)C(=O)Cc1cccc(c1)F 1458a_100000242741_100000230114 [0,2,0,0,0,0|1,0,1]=4 4036 B14R1.4405 CC(C)(O)C(=O)Cc1cccc(c1)I 1458a_100000242741_100011218688 [0,2,0,0,0,0|1,0,1]=4 4037 B14R1.4405 CC(C)(O)C(=O)Cc1cccc(c1)O 1458a_100000242741_100011660834 [0,2,0,0,0,0|1,0,1]=4 4038 B14R1.4405 Cc1cccc(c1)CC(=O)C(C)(C)O 1458a_100000242741_100000211840 [0,2,0,0,0,0|1,0,1]=4 4039 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Br)Br 1458a_100000185857_100011982794 [0,2,0,0,0,0|2,0,0]=4 4040 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Br)Cl 1458a_100000185857_100000733903 [0,2,0,0,0,0|2,0,0]=4 4041 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Br)F 1458a_100000185857_100000736370 [0,2,0,0,0,0|2,0,0]=4 4042 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Br)I 1458a_100000185857_100012355412 [0,2,0,0,0,0|2,0,0]=4 4043 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1C)C 1458a_100000185857_100000184699 [0,2,0,0,0,0|2,0,0]=4 4044 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1C)Cl 1458a_100000185857_100012186985 [0,2,0,0,0,0|2,0,0]=4 4045 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1C)F 1458a_100000185857_100000709795 [0,2,0,0,0,0|2,0,0]=4 4046 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Cl)Br 1458a_100000185857_100000763347 [0,2,0,0,0,0|2,0,0]=4 4047 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Cl)C 1458a_100000185857_100009871730 [0,2,0,0,0,0|2,0,0]=4 4048 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000185857_100000754809 [0,2,0,0,0,0|2,0,0]=4 4049 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Cl)F 1458a_100000185857_100000709952 [0,2,0,0,0,0|2,0,0]=4 4050 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1Cl)I 1458a_100000185857_100010188191 [0,2,0,0,0,0|2,0,0]=4 4051 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1F)Br 1458a_100000185857_100000736399 [0,2,0,0,0,0|2,0,0]=4 4052 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1F)C 1458a_100000185857_100011260760 [0,2,0,0,0,0|2,0,0]=4 4053 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1F)Cl 1458a_100000185857_100000716957 [0,2,0,0,0,0|2,0,0]=4 4054 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1F)F 1458a_100000185857_100000741279 [0,2,0,0,0,0|2,0,0]=4 4055 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1F)I 1458a_100000185857_200010149601 [0,2,0,0,0,0|2,0,0]=4 4056 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1I)Br 1458a_100000185857_100012362523 [0,2,0,0,0,0|2,0,0]=4 4057 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1I)Cl 1458a_100000185857_100012348826 [0,2,0,0,0,0|2,0,0]=4 4058 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1I)F 1458a_100000185857_100010149606 [0,2,0,0,0,0|2,0,0]=4 4059 B14R1.4474 C=C(C)C(=O)Cc1cc(ccc1O)F 1458a_100000185857_100010161318 [0,2,0,0,0,0|2,0,0]=4 4060 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Br)Br 1458a_100000717761_100011982794 [0,2,0,0,0,0|1,0,1]=4 4061 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Br)Cl 1458a_100000717761_100000733903 [0,2,0,0,0,0|1,0,1]=4 4062 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Br)F 1458a_100000717761_100000736370 [0,2,0,0,0,0|1,0,1]=4 4063 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Br)I 1458a_100000717761_100012355412 [0,2,0,0,0,0|1,0,1]=4 4064 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Cl)Br 1458a_100000717761_100000763347 [0,2,0,0,0,0|1,0,1]=4 4065 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000717761_100000754809 [0,2,0,0,0,0|1,0,1]=4 4066 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Cl)F 1458a_100000717761_100000709952 [0,2,0,0,0,0|1,0,1]=4 4067 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1Cl)I 1458a_100000717761_100010188191 [0,2,0,0,0,0|1,0,1]=4 4068 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1F)Br 1458a_100000717761_100000736399 [0,2,0,0,0,0|1,0,1]=4 4069 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1F)Cl 1458a_100000717761_100000716957 [0,2,0,0,0,0|1,0,1]=4 4070 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1F)F 1458a_100000717761_100000741279 [0,2,0,0,0,0|1,0,1]=4 4071 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1F)I 1458a_100000717761_200010149601 [0,2,0,0,0,0|1,0,1]=4 4072 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1I)Br 1458a_100000717761_100012362523 [0,2,0,0,0,0|1,0,1]=4 4073 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1I)Cl 1458a_100000717761_100012348826 [0,2,0,0,0,0|1,0,1]=4 4074 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1I)F 1458a_100000717761_100010149606 [0,2,0,0,0,0|1,0,1]=4 4075 B14R1.4474 C[C@@H](O)C(=O)Cc1cc(ccc1O)F 1458a_100000717761_100010161318 [0,2,0,0,0,0|1,0,1]=4 4076 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Br)Br 1458a_217856618621_100011982794 [0,2,0,0,0,0|1,0,1]=4 4077 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Br)Cl 1458a_217856618621_100000733903 [0,2,0,0,0,0|1,0,1]=4 4078 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Br)F 1458a_217856618621_100000736370 [0,2,0,0,0,0|1,0,1]=4 4079 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Br)I 1458a_217856618621_100012355412 [0,2,0,0,0,0|1,0,1]=4 4080 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Cl)Br 1458a_217856618621_100000763347 [0,2,0,0,0,0|1,0,1]=4 4081 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Cl)Cl 1458a_217856618621_100000754809 [0,2,0,0,0,0|1,0,1]=4 4082 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Cl)F 1458a_217856618621_100000709952 [0,2,0,0,0,0|1,0,1]=4 4083 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1Cl)I 1458a_217856618621_100010188191 [0,2,0,0,0,0|1,0,1]=4 4084 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1F)Br 1458a_217856618621_100000736399 [0,2,0,0,0,0|1,0,1]=4 4085 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1F)Cl 1458a_217856618621_100000716957 [0,2,0,0,0,0|1,0,1]=4 4086 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1F)F 1458a_217856618621_100000741279 [0,2,0,0,0,0|1,0,1]=4 4087 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1F)I 1458a_217856618621_200010149601 [0,2,0,0,0,0|1,0,1]=4 4088 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1I)Br 1458a_217856618621_100012362523 [0,2,0,0,0,0|1,0,1]=4 4089 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1I)Cl 1458a_217856618621_100012348826 [0,2,0,0,0,0|1,0,1]=4 4090 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1I)F 1458a_217856618621_100010149606 [0,2,0,0,0,0|1,0,1]=4 4091 B14R1.4474 C[C@H](O)C(=O)Cc1cc(ccc1O)F 1458a_217856618621_100010161318 [0,2,0,0,0,0|1,0,1]=4 4092 B14R1.4474 Cc1ccc(c(c1)CC(=O)C(O)O)C 1458a_100000233687_100000184699 [0,2,0,0,0,0|0,0,2]=4 4093 B14R1.4474 Cc1ccc(c(c1)CC(=O)C(O)O)Cl 1458a_100000233687_100009871730 [0,2,0,0,0,0|0,0,2]=4 4094 B14R1.4474 Cc1ccc(c(c1)CC(=O)C(O)O)F 1458a_100000233687_100011260760 [0,2,0,0,0,0|0,0,2]=4 4095 B14R1.4474 Cc1ccc(c(c1)CC(=O)[C@@H](C)O)C 1458a_100000717761_100000184699 [0,2,0,0,0,0|1,0,1]=4 4096 B14R1.4474 Cc1ccc(c(c1)CC(=O)[C@@H](C)O)Cl 1458a_100000717761_100009871730 [0,2,0,0,0,0|1,0,1]=4 4097 B14R1.4474 Cc1ccc(c(c1)CC(=O)[C@@H](C)O)F 1458a_100000717761_100011260760 [0,2,0,0,0,0|1,0,1]=4 4098 B14R1.4474 Cc1ccc(c(c1)CC(=O)[C@H](C)O)C 1458a_217856618621_100000184699 [0,2,0,0,0,0|1,0,1]=4 4099 B14R1.4474 Cc1ccc(c(c1)CC(=O)[C@H](C)O)Cl 1458a_217856618621_100009871730 [0,2,0,0,0,0|1,0,1]=4 4100 B14R1.4474 Cc1ccc(c(c1)CC(=O)[C@H](C)O)F 1458a_217856618621_100011260760 [0,2,0,0,0,0|1,0,1]=4 4101 B14R1.4474 Cc1ccc(c(c1)NC(=O)C(=O)N)C 22a_100000185781_100011215815 [0,2,0,0,0,0|2,0,0]=4 4102 B14R1.4474 Cc1ccc(c(c1)NC(=O)C(=O)N)Cl 22a_100011215360_100011215815 [0,2,0,0,0,0|2,0,0]=4 4103 B14R1.4474 Cc1ccc(c(c1)NC(=O)C(=O)N)F 22a_100000211285_100011215815 [0,2,0,0,0,0|2,0,0]=4 4104 B14R1.4474 Cc1ccc(c(c1)NC(=O)C(=O)N)O 22a_100011215204_100011215815 [0,2,0,0,0,0|2,0,0]=4 4105 B14R1.4474 Cc1ccc(cc1CC(=O)C(O)O)Cl 1458a_100000233687_100012186985 [0,2,0,0,0,0|0,0,2]=4 4106 B14R1.4474 Cc1ccc(cc1CC(=O)C(O)O)F 1458a_100000233687_100000709795 [0,2,0,0,0,0|0,0,2]=4 4107 B14R1.4474 Cc1ccc(cc1CC(=O)[C@@H](C)O)Cl 1458a_100000717761_100012186985 [0,2,0,0,0,0|1,0,1]=4 4108 B14R1.4474 Cc1ccc(cc1CC(=O)[C@@H](C)O)F 1458a_100000717761_100000709795 [0,2,0,0,0,0|1,0,1]=4 4109 B14R1.4474 Cc1ccc(cc1CC(=O)[C@H](C)O)Cl 1458a_217856618621_100012186985 [0,2,0,0,0,0|1,0,1]=4 4110 B14R1.4474 Cc1ccc(cc1CC(=O)[C@H](C)O)F 1458a_217856618621_100000709795 [0,2,0,0,0,0|1,0,1]=4 4111 B14R1.4474 Cc1ccc(cc1NC(=O)C(=O)N)Br 22a_100000741167_100011215815 [0,2,0,0,0,0|2,0,0]=4 4112 B14R1.4474 Cc1ccc(cc1NC(=O)C(=O)N)Cl 22a_100000211374_100011215815 [0,2,0,0,0,0|2,0,0]=4 4113 B14R1.4474 Cc1ccc(cc1NC(=O)C(=O)N)F 22a_100000211107_100011215815 [0,2,0,0,0,0|2,0,0]=4 4114 B14R1.4474 Cc1ccc(cc1NC(=O)C(=O)N)I 22a_100000761890_100011215815 [0,2,0,0,0,0|2,0,0]=4 4115 B14R1.4474 Cc1ccc(cc1NC(=O)C(=O)N)O 22a_100011216113_100011215815 [0,2,0,0,0,0|2,0,0]=4 4116 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1Br)O 22a_100011999798_100011215815 [0,2,0,0,0,0|2,0,0]=4 4117 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1F)Br 22a_100000740924_100011215815 [0,2,0,0,0,0|2,0,0]=4 4118 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1F)F 22a_100000210742_100011215815 [0,2,0,0,0,0|2,0,0]=4 4119 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1F)O 22a_100012017239_100011215815 [0,2,0,0,0,0|2,0,0]=4 4120 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100011215815 [0,2,0,0,0,0|2,0,0]=4 4121 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)Br 22a_100000752626_100011215815 [0,2,0,0,0,0|2,0,0]=4 4122 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100011215815 [0,2,0,0,0,0|2,0,0]=4 4123 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)F 22a_100000759472_100011215815 [0,2,0,0,0,0|2,0,0]=4 4124 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)I 22a_100000753495_100011215815 [0,2,0,0,0,0|2,0,0]=4 4125 B14R1.4474 O=C(Cc1cc(ccc1Br)Br)C(O)O 1458a_100000233687_100011982794 [0,2,0,0,0,0|0,0,2]=4 4126 B14R1.4474 O=C(Cc1cc(ccc1Br)Cl)C(O)O 1458a_100000233687_100000733903 [0,2,0,0,0,0|0,0,2]=4 4127 B14R1.4474 O=C(Cc1cc(ccc1Br)F)C(O)O 1458a_100000233687_100000736370 [0,2,0,0,0,0|0,0,2]=4 4128 B14R1.4474 O=C(Cc1cc(ccc1Br)I)C(O)O 1458a_100000233687_100012355412 [0,2,0,0,0,0|0,0,2]=4 4129 B14R1.4474 O=C(Cc1cc(ccc1Cl)Br)C(O)O 1458a_100000233687_100000763347 [0,2,0,0,0,0|0,0,2]=4 4130 B14R1.4474 O=C(Cc1cc(ccc1Cl)Cl)C(O)O 1458a_100000233687_100000754809 [0,2,0,0,0,0|0,0,2]=4 4131 B14R1.4474 O=C(Cc1cc(ccc1Cl)F)C(O)O 1458a_100000233687_100000709952 [0,2,0,0,0,0|0,0,2]=4 4132 B14R1.4474 O=C(Cc1cc(ccc1Cl)I)C(O)O 1458a_100000233687_100010188191 [0,2,0,0,0,0|0,0,2]=4 4133 B14R1.4474 O=C(Cc1cc(ccc1F)Br)C(O)O 1458a_100000233687_100000736399 [0,2,0,0,0,0|0,0,2]=4 4134 B14R1.4474 O=C(Cc1cc(ccc1F)Cl)C(O)O 1458a_100000233687_100000716957 [0,2,0,0,0,0|0,0,2]=4 4135 B14R1.4474 O=C(Cc1cc(ccc1F)F)C(O)O 1458a_100000233687_100000741279 [0,2,0,0,0,0|0,0,2]=4 4136 B14R1.4474 O=C(Cc1cc(ccc1F)I)C(O)O 1458a_100000233687_200010149601 [0,2,0,0,0,0|0,0,2]=4 4137 B14R1.4474 O=C(Cc1cc(ccc1I)Br)C(O)O 1458a_100000233687_100012362523 [0,2,0,0,0,0|0,0,2]=4 4138 B14R1.4474 O=C(Cc1cc(ccc1I)Cl)C(O)O 1458a_100000233687_100012348826 [0,2,0,0,0,0|0,0,2]=4 4139 B14R1.4474 O=C(Cc1cc(ccc1I)F)C(O)O 1458a_100000233687_100010149606 [0,2,0,0,0,0|0,0,2]=4 4140 B14R1.4474 O=C(Cc1cc(ccc1O)F)C(O)O 1458a_100000233687_100010161318 [0,2,0,0,0,0|0,0,2]=4 4141 B14R1.243 C=C(C)C(=O)C(C)c1ccccc1Cl 1458a_100000185857_100000181259 [0,2,0,0,0,0|2,0,0]=4 4142 B14R1.243 C=C(C)C(=O)C(C)c1ccccc1F 1458a_100000185857_200000741388 [0,2,0,0,0,0|2,0,0]=4 4143 B14R1.243 CC(C(=O)C(O)O)c1ccccc1Cl 1458a_100000233687_100000181259 [0,2,0,0,0,0|0,0,2]=4 4144 B14R1.243 CC(C(=O)C(O)O)c1ccccc1F 1458a_100000233687_200000741388 [0,2,0,0,0,0|0,0,2]=4 4145 B14R1.243 CC(C(=O)[C@@H](C)O)c1ccccc1Cl 1458a_100000717761_100000181259 [0,2,0,0,0,0|1,0,1]=4 4146 B14R1.243 CC(C(=O)[C@@H](C)O)c1ccccc1F 1458a_100000717761_200000741388 [0,2,0,0,0,0|1,0,1]=4 4147 B14R1.243 CC(C(=O)[C@H](C)O)c1ccccc1Cl 1458a_217856618621_100000181259 [0,2,0,0,0,0|1,0,1]=4 4148 B14R1.243 CC(C(=O)[C@H](C)O)c1ccccc1F 1458a_217856618621_200000741388 [0,2,0,0,0,0|1,0,1]=4 4149 B14R1.243 CN(C(=O)C(=O)N)c1ccccc1F 22a_100000220357_100011215815 [0,2,0,0,0,0|2,0,0]=4 4150 B14R1.243 CN(C(=O)C(=O)N)c1ccccc1O 22a_100000033821_100011215815 [0,2,0,0,0,0|2,0,0]=4 4151 B14R1.243 Cc1ccccc1N(C)C(=O)C(=O)N 22a_100000219699_100011215815 [0,2,0,0,0,0|2,0,0]=4 4152 B14R1.1017 CC(c1ccccc1)C(N[13CH3])C(=O)O 269956a_100011215410_200025704644 [0,2,0,0,0,0|1,0,1]=4 4153 B14R1.1017 CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_200000210301 [0,2,0,0,0,0|1,0,1]=4 4154 B14R1.1027 CCN(C(=O)C(=O)N)c1ccccc1 22a_100000210013_100011215815 [0,2,0,0,0,0|2,0,0]=4 4155 B14R1.6306 C=C(C)C(=O)C(C)(C)c1ccccc1 1458a_100000185857_100000034625 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.6306 C=C(C)C(=O)C(F)(F)c1ccccc1 1458a_100000185857_100000036403 [0,2,0,0,0,0|2,0,0]=4 4157 B14R1.6306 CC(C)(C(=O)C(O)O)c1ccccc1 1458a_100000233687_100000034625 [0,2,0,0,0,0|0,0,2]=4 4158 B14R1.6306 C[C@@H](O)C(=O)C(C)(C)c1ccccc1 1458a_100000717761_100000034625 [0,2,0,0,0,0|1,0,1]=4 4159 B14R1.6306 C[C@@H](O)C(=O)C(F)(F)c1ccccc1 1458a_100000717761_100000036403 [0,2,0,0,0,0|1,0,1]=4 4160 B14R1.6306 C[C@H](O)C(=O)C(C)(C)c1ccccc1 1458a_217856618621_100000034625 [0,2,0,0,0,0|1,0,1]=4 4161 B14R1.6306 C[C@H](O)C(=O)C(F)(F)c1ccccc1 1458a_217856618621_100000036403 [0,2,0,0,0,0|1,0,1]=4 4162 B14R1.6306 O=C(C(O)O)C(F)(F)c1ccccc1 1458a_100000233687_100000036403 [0,2,0,0,0,0|0,0,2]=4 4163 B14R1.10526 CC(C(=O)C(C)(C)O)c1ccccc1 1458a_100000242741_100000230085 [0,2,0,0,0,0|1,0,1]=4 4164 B14R1.550 CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_200000210301 [0,2,0,0,0,0|1,0,1]=4 4165 B14R1.550 [13CH3]NC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_200025704644 [0,2,0,0,0,0|1,0,1]=4 4166 B14R1.3135 C#Cc1ccccc1NC(=O)C(=O)N 22a_100011470550_100011215815 [0,2,0,0,0,0|2,0,0]=4 4167 B14R1.3135 C=C(C)C(=O)Cc1ccccc1C#N 1458a_100000185857_100000181865 [0,2,0,0,0,0|2,0,0]=4 4168 B14R1.3135 C=C(C)C(=O)Cc1ccccc1C=O 1458a_100000185857_200009853537 [0,2,0,0,0,0|2,0,0]=4 4169 B14R1.3135 C=C(C)C(=O)Cc1ccccc1CO 1458a_100000185857_100009816955 [0,2,0,0,0,0|2,0,0]=4 4170 B14R1.3135 C=C(C)C(=O)Cc1ccccc1OC 1458a_100000185857_100000210004 [0,2,0,0,0,0|2,0,0]=4 4171 B14R1.3135 C=C(C)C(=O)Cc1ccccc1SC 1458a_100000185857_100000699184 [0,2,0,0,0,0|2,0,0]=4 4172 B14R1.3135 C=Cc1ccccc1NC(=O)C(=O)N 22a_100012022501_100011215815 [0,2,0,0,0,0|2,0,0]=4 4173 B14R1.3135 CCc1ccccc1NC(=O)C(=O)C 1458a_200011297324_200000210301 [0,2,0,0,0,0|2,0,0]=4 4174 B14R1.3135 CCc1ccccc1NC(=O)C(=O)N 22a_100000212081_100011215815 [0,2,0,0,0,0|2,0,0]=4 4175 B14R1.3135 CCc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297324_200025704644 [0,2,0,0,0,0|2,0,0]=4 4176 B14R1.3135 COc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000210004 [0,2,0,0,0,0|0,0,2]=4 4177 B14R1.3135 COc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000210004 [0,2,0,0,0,0|1,0,1]=4 4178 B14R1.3135 COc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000210004 [0,2,0,0,0,0|1,0,1]=4 4179 B14R1.3135 COc1ccccc1NC(=O)C(=O)C 1458a_200011297187_200000210301 [0,2,0,0,0,0|2,0,0]=4 4180 B14R1.3135 COc1ccccc1NC(=O)C(=O)N 22a_100000210025_100011215815 [0,2,0,0,0,0|2,0,0]=4 4181 B14R1.3135 COc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297187_200025704644 [0,2,0,0,0,0|2,0,0]=4 4182 B14R1.3135 CSc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000699184 [0,2,0,0,0,0|0,0,2]=4 4183 B14R1.3135 CSc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000699184 [0,2,0,0,0,0|1,0,1]=4 4184 B14R1.3135 CSc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000699184 [0,2,0,0,0,0|1,0,1]=4 4185 B14R1.3135 CSc1ccccc1NC(=O)C(=O)N 22a_100000211160_100011215815 [0,2,0,0,0,0|2,0,0]=4 4186 B14R1.3135 C[C@@H](O)C(=O)Cc1ccccc1C#N 1458a_100000717761_100000181865 [0,2,0,0,0,0|1,0,1]=4 4187 B14R1.3135 C[C@@H](O)C(=O)Cc1ccccc1C=O 1458a_100000717761_200009853537 [0,2,0,0,0,0|1,0,1]=4 4188 B14R1.3135 C[C@@H](O)C(=O)Cc1ccccc1CO 1458a_100000717761_100009816955 [0,2,0,0,0,0|1,0,1]=4 4189 B14R1.3135 C[C@H](O)C(=O)Cc1ccccc1C#N 1458a_217856618621_100000181865 [0,2,0,0,0,0|1,0,1]=4 4190 B14R1.3135 C[C@H](O)C(=O)Cc1ccccc1C=O 1458a_217856618621_200009853537 [0,2,0,0,0,0|1,0,1]=4 4191 B14R1.3135 C[C@H](O)C(=O)Cc1ccccc1CO 1458a_217856618621_100009816955 [0,2,0,0,0,0|1,0,1]=4 4192 B14R1.3135 N#Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000181865 [0,2,0,0,0,0|0,0,2]=4 4193 B14R1.3135 NC(=O)C(=O)Nc1ccccc1CO 22a_100000212039_100011215815 [0,2,0,0,0,0|2,0,0]=4 4194 B14R1.3135 O=C(Cc1ccccc1CO)C(O)O 1458a_100000233687_100009816955 [0,2,0,0,0,0|0,0,2]=4 4195 B14R1.3135 O=Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_200009853537 [0,2,0,0,0,0|0,0,2]=4 4196 B14R1.5881 CC(C)(O)C(=O)Cc1ccccc1Br 1458a_100000242741_100000184730 [0,2,0,0,0,0|1,0,1]=4 4197 B14R1.5881 CC(C)(O)C(=O)Cc1ccccc1Cl 1458a_100000242741_100000187162 [0,2,0,0,0,0|1,0,1]=4 4198 B14R1.5881 CC(C)(O)C(=O)Cc1ccccc1F 1458a_100000242741_100000187165 [0,2,0,0,0,0|1,0,1]=4 4199 B14R1.5881 CC(C)(O)C(=O)Cc1ccccc1I 1458a_100000242741_100011216222 [0,2,0,0,0,0|1,0,1]=4 4200 B14R1.5881 Cc1ccccc1CC(=O)C(C)(C)O 1458a_100000242741_100000211839 [0,2,0,0,0,0|1,0,1]=4 4201 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1Br)C 1458a_100000185857_100010146847 [0,2,0,0,0,0|2,0,0]=4 4202 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1Br)Cl 1458a_100000185857_100010138402 [0,2,0,0,0,0|2,0,0]=4 4203 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1Br)F 1458a_100000185857_100000696636 [0,2,0,0,0,0|2,0,0]=4 4204 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1C)C 1458a_100000185857_100000758300 [0,2,0,0,0,0|2,0,0]=4 4205 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1Cl)Cl 1458a_100000185857_100000187851 [0,2,0,0,0,0|2,0,0]=4 4206 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1Cl)F 1458a_100000185857_100000187852 [0,2,0,0,0,0|2,0,0]=4 4207 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1F)C 1458a_100000185857_100009814554 [0,2,0,0,0,0|2,0,0]=4 4208 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1F)F 1458a_100000185857_100000698325 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1I)Br 1458a_100000185857_100010146611 [0,2,0,0,0,0|2,0,0]=4 4210 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1I)C 1458a_100000185857_100010150146 [0,2,0,0,0,0|2,0,0]=4 4211 B14R1.5971 C=C(C)C(=O)Cc1c(cccc1I)F 1458a_100000185857_100010149602 [0,2,0,0,0,0|2,0,0]=4 4212 B14R1.5971 CC(=O)C(=O)Nc1c(cccc1C)C 1458a_100000689146_200000210301 [0,2,0,0,0,0|2,0,0]=4 4213 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1Br)Cl 1458a_100000717761_100010138402 [0,2,0,0,0,0|1,0,1]=4 4214 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1Br)F 1458a_100000717761_100000696636 [0,2,0,0,0,0|1,0,1]=4 4215 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1Cl)Cl 1458a_100000717761_100000187851 [0,2,0,0,0,0|1,0,1]=4 4216 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1Cl)F 1458a_100000717761_100000187852 [0,2,0,0,0,0|1,0,1]=4 4217 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1F)F 1458a_100000717761_100000698325 [0,2,0,0,0,0|1,0,1]=4 4218 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1I)Br 1458a_100000717761_100010146611 [0,2,0,0,0,0|1,0,1]=4 4219 B14R1.5971 C[C@@H](O)C(=O)Cc1c(cccc1I)F 1458a_100000717761_100010149602 [0,2,0,0,0,0|1,0,1]=4 4220 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1Br)Cl 1458a_217856618621_100010138402 [0,2,0,0,0,0|1,0,1]=4 4221 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1Br)F 1458a_217856618621_100000696636 [0,2,0,0,0,0|1,0,1]=4 4222 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1Cl)Cl 1458a_217856618621_100000187851 [0,2,0,0,0,0|1,0,1]=4 4223 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1Cl)F 1458a_217856618621_100000187852 [0,2,0,0,0,0|1,0,1]=4 4224 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1F)F 1458a_217856618621_100000698325 [0,2,0,0,0,0|1,0,1]=4 4225 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1I)Br 1458a_217856618621_100010146611 [0,2,0,0,0,0|1,0,1]=4 4226 B14R1.5971 C[C@H](O)C(=O)Cc1c(cccc1I)F 1458a_217856618621_100010149602 [0,2,0,0,0,0|1,0,1]=4 4227 B14R1.5971 Cc1cccc(c1CC(=O)C(O)O)Br 1458a_100000233687_100010146847 [0,2,0,0,0,0|0,0,2]=4 4228 B14R1.5971 Cc1cccc(c1CC(=O)C(O)O)C 1458a_100000233687_100000758300 [0,2,0,0,0,0|0,0,2]=4 4229 B14R1.5971 Cc1cccc(c1CC(=O)C(O)O)F 1458a_100000233687_100009814554 [0,2,0,0,0,0|0,0,2]=4 4230 B14R1.5971 Cc1cccc(c1CC(=O)C(O)O)I 1458a_100000233687_100010150146 [0,2,0,0,0,0|0,0,2]=4 4231 B14R1.5971 Cc1cccc(c1CC(=O)[C@@H](C)O)Br 1458a_100000717761_100010146847 [0,2,0,0,0,0|1,0,1]=4 4232 B14R1.5971 Cc1cccc(c1CC(=O)[C@@H](C)O)C 1458a_100000717761_100000758300 [0,2,0,0,0,0|1,0,1]=4 4233 B14R1.5971 Cc1cccc(c1CC(=O)[C@@H](C)O)F 1458a_100000717761_100009814554 [0,2,0,0,0,0|1,0,1]=4 4234 B14R1.5971 Cc1cccc(c1CC(=O)[C@@H](C)O)I 1458a_100000717761_100010150146 [0,2,0,0,0,0|1,0,1]=4 4235 B14R1.5971 Cc1cccc(c1CC(=O)[C@H](C)O)Br 1458a_217856618621_100010146847 [0,2,0,0,0,0|1,0,1]=4 4236 B14R1.5971 Cc1cccc(c1CC(=O)[C@H](C)O)C 1458a_217856618621_100000758300 [0,2,0,0,0,0|1,0,1]=4 4237 B14R1.5971 Cc1cccc(c1CC(=O)[C@H](C)O)F 1458a_217856618621_100009814554 [0,2,0,0,0,0|1,0,1]=4 4238 B14R1.5971 Cc1cccc(c1CC(=O)[C@H](C)O)I 1458a_217856618621_100010150146 [0,2,0,0,0,0|1,0,1]=4 4239 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)N)C 22a_100000185769_100011215815 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)N)F 22a_100000766463_100011215815 [0,2,0,0,0,0|2,0,0]=4 4241 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)N)O 22a_100000743429_100011215815 [0,2,0,0,0,0|2,0,0]=4 4242 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)[13CH3])C 1458a_100000689146_200025704644 [0,2,0,0,0,0|2,0,0]=4 4243 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1Cl)O 22a_100012022510_100011215815 [0,2,0,0,0,0|2,0,0]=4 4244 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1F)O 22a_100020591140_100011215815 [0,2,0,0,0,0|2,0,0]=4 4245 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1I)O 22a_200000049512_100011215815 [0,2,0,0,0,0|2,0,0]=4 4246 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1O)O 22a_100011995820_100011215815 [0,2,0,0,0,0|2,0,0]=4 4247 B14R1.5971 O=C(Cc1c(cccc1Br)Cl)C(O)O 1458a_100000233687_100010138402 [0,2,0,0,0,0|0,0,2]=4 4248 B14R1.5971 O=C(Cc1c(cccc1Br)F)C(O)O 1458a_100000233687_100000696636 [0,2,0,0,0,0|0,0,2]=4 4249 B14R1.5971 O=C(Cc1c(cccc1Cl)Cl)C(O)O 1458a_100000233687_100000187851 [0,2,0,0,0,0|0,0,2]=4 4250 B14R1.5971 O=C(Cc1c(cccc1Cl)F)C(O)O 1458a_100000233687_100000187852 [0,2,0,0,0,0|0,0,2]=4 4251 B14R1.5971 O=C(Cc1c(cccc1F)F)C(O)O 1458a_100000233687_100000698325 [0,2,0,0,0,0|0,0,2]=4 4252 B14R1.5971 O=C(Cc1c(cccc1I)Br)C(O)O 1458a_100000233687_100010146611 [0,2,0,0,0,0|0,0,2]=4 4253 B14R1.5971 O=C(Cc1c(cccc1I)F)C(O)O 1458a_100000233687_100010149602 [0,2,0,0,0,0|0,0,2]=4 4254 B14R1.8844 CC(Cc1ccccc1)(N[13CH3])C(=O)O 269956a_100025773586_200025704644 [0,2,0,0,0,0|1,0,1]=4 4255 B14R1.8844 CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_200000210301 [0,2,0,0,0,0|1,0,1]=4 4256 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,0,0,1,0,0|2,0,0]=4 4257 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [1,0,0,1,0,0|2,0,0]=4 4258 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|1,0,1]=4 4259 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|1,0,1]=4 4260 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,0,0,1,0,1|2,0,0]=4 4261 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,0,0,1,0,1|2,0,0]=4 4262 B14R2.2899 O=C(CCc1ccccc1)C2CO2 1458a_100000701028_100000765856 [0,0,0,1,0,1|1,0,1]=4 4263 B14R2.2899 O=C(NCc1ccccc1)C2CO2 11a_100015324214_100000701028 [0,0,0,1,0,1|1,0,1]=4 4264 B14R2.2899 O=C(NCc1ccccc1)C2CO2 1626a_100015324214_100000701028 [0,0,0,1,0,1|1,0,1]=4 4265 B14R2.2899 O=C(NCc1ccccc1)C2CO2 240690a_100015324214_100000701028 [0,0,0,1,0,1|1,0,1]=4 4266 B14R2.2899 O=C(NCc1ccccc1)C2CO2 527a_100015324214_100000701028 [0,0,0,1,0,1|1,0,1]=4 4267 B14R2.949 Cc1ccc(cc1)CC(=O)C2CO2 1458a_100000701028_100000210814 [0,1,0,1,0,0|1,0,1]=4 4268 B14R2.949 O=C(Cc1ccc(cc1)Br)C2CO2 1458a_100000701028_100000189115 [0,1,0,1,0,0|1,0,1]=4 4269 B14R2.949 O=C(Cc1ccc(cc1)Cl)C2CO2 1458a_100000701028_100000694040 [0,1,0,1,0,0|1,0,1]=4 4270 B14R2.949 O=C(Cc1ccc(cc1)F)C2CO2 1458a_100000701028_100000198546 [0,1,0,1,0,0|1,0,1]=4 4271 B14R2.949 O=C(Cc1ccc(cc1)I)C2CO2 1458a_100000701028_100000189116 [0,1,0,1,0,0|1,0,1]=4 4272 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,1,0,0|2,0,0]=4 4273 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,1,0,0|2,0,0]=4 4274 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,1,0,0|2,0,0]=4 4275 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,1,0,1,0,0|2,0,0]=4 4276 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,1,0,1,0,0|2,0,0]=4 4277 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,1,0,1,0,0|2,0,0]=4 4278 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,1,0,1,0,0|2,0,0]=4 4279 B14R2.972 O=C(CO)C1Cc2ccccc2C1 1458a_100000210174_100000753484 [0,1,0,1,0,0|1,0,1]=4 4280 B14R2.972 O=C(CO)N1Cc2ccccc2C1 240690a_100000752595_100000210174 [0,1,0,1,0,0|2,0,0]=4 4281 B14R2.972 O=C(CO)N1Cc2ccccc2C1 527a_100000752595_100000210174 [0,1,0,1,0,0|2,0,0]=4 4282 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,1,0,0|1,0,1]=4 4283 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,1,0,0|0,0,2]=4 4284 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,1,0,0|0,1,1]=4 4285 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,1,0,0|1,0,1]=4 4286 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,1,0,0|0,0,2]=4 4287 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,1,0,0|0,1,1]=4 4288 B14R2.9589 O=C(Cc1ccccc1)C2CCO2 1458a_100000089072_100015291786 [0,1,0,1,0,0|1,0,1]=4 4289 B14R2.9589 O=C(Cc1ccccc1)C2COC2 1458a_100000758290_100015291786 [0,1,0,1,0,0|1,0,1]=4 4290 B14R2.9592 O=C(Cc1ccccc1)C2(CC2)O 1458a_100000241761_100015291786 [0,1,0,1,0,0|1,0,1]=4 4291 B14R2.9059 Cc1cccc(c1)CC(=O)C2CO2 1458a_100000701028_100000211840 [0,1,0,1,0,0|1,0,1]=4 4292 B14R2.9059 O=C(Cc1cccc(c1)Br)C2CO2 1458a_100000701028_100000211773 [0,1,0,1,0,0|1,0,1]=4 4293 B14R2.9059 O=C(Cc1cccc(c1)Cl)C2CO2 1458a_100000701028_100000181238 [0,1,0,1,0,0|1,0,1]=4 4294 B14R2.9059 O=C(Cc1cccc(c1)F)C2CO2 1458a_100000701028_100000230114 [0,1,0,1,0,0|1,0,1]=4 4295 B14R2.9059 O=C(Cc1cccc(c1)I)C2CO2 1458a_100000701028_100011218688 [0,1,0,1,0,0|1,0,1]=4 4296 B14R2.9059 O=C(Cc1cccc(c1)O)C2CO2 1458a_100000701028_100011660834 [0,1,0,1,0,0|1,0,1]=4 4297 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,1,0,0|2,0,0]=4 4298 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,1,0,1,0,0|1,0,1]=4 4299 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,1,0,0|2,0,0]=4 4300 B14R2.15694 CC(C(=O)C1CO1)c2ccccc2 1458a_100000701028_100000230085 [0,1,0,1,0,0|1,0,1]=4 4301 B14R2.4621 Cc1ccccc1CC(=O)C2CO2 1458a_100000701028_100000211839 [0,1,0,1,0,0|1,0,1]=4 4302 B14R2.4621 O=C(Cc1ccccc1Br)C2CO2 1458a_100000701028_100000184730 [0,1,0,1,0,0|1,0,1]=4 4303 B14R2.4621 O=C(Cc1ccccc1Cl)C2CO2 1458a_100000701028_100000187162 [0,1,0,1,0,0|1,0,1]=4 4304 B14R2.4621 O=C(Cc1ccccc1F)C2CO2 1458a_100000701028_100000187165 [0,1,0,1,0,0|1,0,1]=4 4305 B14R2.4621 O=C(Cc1ccccc1I)C2CO2 1458a_100000701028_100011216222 [0,1,0,1,0,0|1,0,1]=4 4306 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,1,0|1,0,1]=4 4307 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,1,0|2,0,0]=4 4308 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,1,0|2,0,0]=4 4309 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,1,0|2,0,0]=4 4310 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,1,0|2,0,0]=4 4311 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,1,0|1,0,1]=4 4312 B10R1.27 C=CC(=O)Cc1ccsc1 1458a_100000185746_100011233845 [1,0,0,0,1,0|2,0,0]=4 4313 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [1,0,0,0,1,0|1,0,1]=4 4314 B12R0.2 C=CC=CC(=O)CC(=O)NC(=O)C 1458a_100016291481_100000183797 [0,0,1,0,0,1|2,0,0]=4 4315 B12R0.2 C=CC=CC(=O)CC(=O)NC(=O)N 1458a_100016291481_100000182717 [0,0,1,0,0,1|2,0,0]=4 4316 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [1,0,0,0,0,1|2,0,0]=4 4317 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [1,0,0,0,0,1|2,0,0]=4 4318 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [1,0,0,0,0,1|2,0,0]=4 4319 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [1,0,0,0,0,1|2,0,0]=4 4320 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [1,0,0,0,0,1|2,0,0]=4 4321 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,0,0,0,1|1,0,1]=4 4322 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,0,0,0,1|1,0,1]=4 4323 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,0,0,0,0,1|1,0,1]=4 4324 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,0,0,0,1|1,0,1]=4 4325 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,0,0,0,1|1,0,1]=4 4326 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,0,1|1,0,1]=4 4327 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,0,1|1,0,1]=4 4328 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,0,1|1,0,1]=4 4329 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,0,0,0,0,1|1,0,1]=4 4330 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,0,0,0,0,1|1,0,1]=4 4331 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,0,0,0,0,1|1,0,1]=4 4332 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,0,0,0,0,1|1,0,1]=4 4333 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,0,0,0,0,1|1,0,1]=4 4334 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,0,0,0,0,1|1,0,1]=4 4335 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,0,0,0,0,1|1,0,1]=4 4336 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,0,0,0,0,1|1,0,1]=4 4337 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,0,0,0,0,1|1,0,1]=4 4338 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,0,0,0,0,1|1,0,1]=4 4339 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,0,0,0,0,1|1,0,1]=4 4340 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,0,0,0,0,1|1,0,1]=4 4341 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [1,0,0,0,0,1|2,0,0]=4 4342 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,0,0,0,0,1|2,0,0]=4 4343 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,0,0,0,0,1|2,0,0]=4 4344 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,0,0,0,0,1|2,0,0]=4 4345 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,0,0,0,0,1|2,0,0]=4 4346 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,0,0,0,0,1|1,0,1]=4 4347 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,0,0,0,0,1|1,0,1]=4 4348 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,0,0,0,0,1|1,0,1]=4 4349 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,0,0,0,0,1|1,0,1]=4 4350 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,0,0,0,0,1|1,0,1]=4 4351 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,0,0,0,0,1|1,0,1]=4 4352 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,0,0,0,0,1|1,0,1]=4 4353 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,0,0,0,0,1|1,0,1]=4 4354 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,0,0,0,0,1|1,0,1]=4 4355 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,0,0,0,0,1|1,0,1]=4 4356 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,0,0,0,0,1|1,0,1]=4 4357 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,0,0,0,0,1|1,0,1]=4 4358 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,0,0,0,0,1|0,0,1]=3 4359 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [1,0,0,0,0,1|1,0,1]=4 4360 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [1,0,0,0,0,1|1,0,1]=4 4361 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [1,0,0,0,0,1|1,0,1]=4 4362 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,0,0,0,0,1|0,0,2]=4 4363 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,0,0,0,0,1|0,0,2]=4 4364 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,0,0,0,0,1|0,0,2]=4 4365 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,0,0,0,0,1|0,0,2]=4 4366 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,0,0,0,1|1,0,1]=4 4367 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,0,0,0,0,1|1,0,1]=4 4368 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,0,0,0,1|1,0,1]=4 4369 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,0,1|1,0,1]=4 4370 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,0,0,0,0,1|1,0,1]=4 4371 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,0,0,0,0,1|1,0,1]=4 4372 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,0,0,0,0,1|1,0,1]=4 4373 B12R1.260 NC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000187820 [0,0,0,0,1,1|2,0,0]=4 4374 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,0,0,0,1,1|2,0,0]=4 4375 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,0,0,0,1,1|2,0,0]=4 4376 B12R1.260 NC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000187820 [0,0,0,0,1,1|2,0,0]=4 4377 B12R1.260 NC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000187820 [0,0,0,0,1,1|2,0,0]=4 4378 B12R1.260 NC(=O)CC(=O)Cc1ccsc1 1458a_100134613110_100011233845 [0,0,0,0,1,1|2,0,0]=4 4379 B12R1.260 NC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000187820 [0,0,0,0,1,1|2,0,0]=4 4380 B12R1.260 O=C([O-])CC(=O)Cc1ccc[nH]1 1458a_100000238377_100020667443 [0,0,0,0,1,1|1,0,1]=4 4381 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,0,0,0,1,1|1,0,1]=4 4382 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,0,0,0,1,1|1,0,1]=4 4383 B12R1.260 O=C([O-])CC(=O)Cc1ccoc1 1458a_100000684892_100020667443 [0,0,0,0,1,1|1,0,1]=4 4384 B12R1.260 O=C([O-])CC(=O)Cc1ccsc1 1458a_100000184062_100020667443 [0,0,0,0,1,1|1,0,1]=4 4385 B12R1.260 O=C([O-])CC(=O)Cn1cccc1 1458a_100011196272_100020667443 [0,0,0,0,1,1|1,0,1]=4 4386 B14R1.423 C=C(C)CCC(=O)Cc1ccccc1 1458a_200000688413_100015291786 [0,0,0,0,0,2|2,0,0]=4 4387 B14R1.423 CC(=CCC(=O)Cc1ccccc1)C 1458a_100011220947_100015291786 [0,0,0,0,0,2|2,0,0]=4 4388 B14R1.423 CC(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_200000210301 [0,0,0,0,0,2|2,0,0]=4 4389 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,0,0,0,0,2|2,0,0]=4 4390 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,0,0,0,0,2|2,0,0]=4 4391 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [0,0,0,0,0,2|2,0,0]=4 4392 B14R1.423 CC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200000210301 [0,0,0,0,0,2|1,0,0]=3 4393 B14R1.423 CC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200000210301 [0,0,0,0,0,2|2,0,0]=4 4394 B14R1.423 CC(=O)NCC(=O)Cc1ccccc1 1458a_100000194580_100015291786 [0,0,0,0,0,2|1,0,0]=3 4395 B14R1.423 CC(=O)NCC(=O)Cc1ccccn1 1458a_100000194580_100000721315 [0,0,0,0,0,2|2,0,0]=4 4396 B14R1.423 CC(=O)NCC(=O)Cc1cccnc1 1458a_100000194580_100000733263 [0,0,0,0,0,2|2,0,0]=4 4397 B14R1.423 CC(=O)NCC(=O)Cc1ccncc1 1458a_100000194580_100000705612 [0,0,0,0,0,2|2,0,0]=4 4398 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000194580 [0,0,0,0,0,2|2,0,0]=4 4399 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100015343762 [0,0,0,0,0,2|2,0,0]=4 4400 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000194580 [0,0,0,0,0,2|2,0,0]=4 4401 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100015343762 [0,0,0,0,0,2|2,0,0]=4 4402 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000194580 [0,0,0,0,0,2|2,0,0]=4 4403 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100015343762 [0,0,0,0,0,2|2,0,0]=4 4404 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000194580 [0,0,0,0,0,2|2,0,0]=4 4405 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100103153847 [0,0,0,0,0,2|2,0,0]=4 4406 B14R1.423 CC(=O)NNC(=O)C[n+]1ccccc1 22a_100000189765_200000086051 [0,0,0,0,0,2|2,0,0]=4 4407 B14R1.423 CC(=O)NNC(=O)C[n+]1ccccc1 22a_100000199085_100000070787 [0,0,0,0,0,2|2,0,0]=4 4408 B14R1.423 CC(=O)NNC(=O)Cc1ccccc1 22a_100000182964_100000070787 [0,0,0,0,0,2|1,0,0]=3 4409 B14R1.423 CC(=O)NNC(=O)Cc1ccccn1 22a_100000189765_100000233486 [0,0,0,0,0,2|2,0,0]=4 4410 B14R1.423 CC(=O)NNC(=O)Cc1ccccn1 22a_200000059813_100000070787 [0,0,0,0,0,2|2,0,0]=4 4411 B14R1.423 CC(=O)NNC(=O)Cc1cccnc1 22a_100000189765_100000737805 [0,0,0,0,0,2|2,0,0]=4 4412 B14R1.423 CC(=O)NNC(=O)Cc1ccncc1 22a_100000189765_100011201483 [0,0,0,0,0,2|2,0,0]=4 4413 B14R1.423 CC(=O)NNC(=O)Cc1ccncc1 22a_100000766356_100000070787 [0,0,0,0,0,2|2,0,0]=4 4414 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [0,0,0,0,0,2|1,0,0]=3 4415 B14R1.423 CC(=O)OCC(=O)Cc1ccccn1 1458a_100000183556_100000721315 [0,0,0,0,0,2|2,0,0]=4 4416 B14R1.423 CC(=O)OCC(=O)Cc1cccnc1 1458a_100000183556_100000733263 [0,0,0,0,0,2|2,0,0]=4 4417 B14R1.423 CC(=O)OCC(=O)Cc1ccncc1 1458a_100000183556_100000705612 [0,0,0,0,0,2|2,0,0]=4 4418 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 1626a_100000106764_100000183556 [0,0,0,0,0,2|2,0,0]=4 4419 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 22a_100000106764_100000183556 [0,0,0,0,0,2|2,0,0]=4 4420 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 527a_100000106764_100000183556 [0,0,0,0,0,2|2,0,0]=4 4421 B14R1.423 CC(=O)SCC(=O)Cc1ccccc1 1458a_100000049016_100015291786 [0,0,0,0,0,2|1,0,0]=3 4422 B14R1.423 CC(=O)SCC(=O)Cc1ccccn1 1458a_100000049016_100000721315 [0,0,0,0,0,2|2,0,0]=4 4423 B14R1.423 CC(=O)SCC(=O)Cc1cccnc1 1458a_100000049016_100000733263 [0,0,0,0,0,2|2,0,0]=4 4424 B14R1.423 CC(=O)SCC(=O)Cc1ccncc1 1458a_100000049016_100000705612 [0,0,0,0,0,2|2,0,0]=4 4425 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 11a_100000106764_100000049016 [0,0,0,0,0,2|2,0,0]=4 4426 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 1626a_100000106764_100000049016 [0,0,0,0,0,2|2,0,0]=4 4427 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,0,0,0,0,2|1,0,1]=4 4428 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [0,0,0,0,0,2|1,0,0]=3 4429 B14R1.423 NC(=O)CCC(=O)Cc1ccccn1 1458a_100011215257_100000721315 [0,0,0,0,0,2|2,0,0]=4 4430 B14R1.423 NC(=O)CCC(=O)Cc1cccnc1 1458a_100011215257_100000733263 [0,0,0,0,0,2|2,0,0]=4 4431 B14R1.423 NC(=O)CCC(=O)Cc1ccncc1 1458a_100011215257_100000705612 [0,0,0,0,0,2|2,0,0]=4 4432 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,0,0,0,0,2|2,0,0]=4 4433 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,0,0,0,0,2|2,0,0]=4 4434 B14R1.423 NC(=O)CNC(=O)C[n+]1ccccc1 11a_100000711301_200000086051 [0,0,0,0,0,2|2,0,0]=4 4435 B14R1.423 NC(=O)CNC(=O)C[n+]1ccccc1 240690a_100000711301_200000086051 [0,0,0,0,0,2|2,0,0]=4 4436 B14R1.423 NC(=O)CNC(=O)C[n+]1ccccc1 527a_100000711301_200000086051 [0,0,0,0,0,2|2,0,0]=4 4437 B14R1.423 NC(=O)CNC(=O)Cc1ccccn1 11a_100000711301_100000233486 [0,0,0,0,0,2|2,0,0]=4 4438 B14R1.423 NC(=O)CNC(=O)Cc1cccnc1 11a_100000711301_100000737805 [0,0,0,0,0,2|2,0,0]=4 4439 B14R1.423 NC(=O)CNC(=O)Cc1cccnc1 240690a_100000711301_100000737805 [0,0,0,0,0,2|2,0,0]=4 4440 B14R1.423 NC(=O)CNC(=O)Cc1cccnc1 527a_100000711301_100000737805 [0,0,0,0,0,2|2,0,0]=4 4441 B14R1.423 NC(=O)CNC(=O)Cc1ccncc1 11a_100000711301_100011201483 [0,0,0,0,0,2|2,0,0]=4 4442 B14R1.423 NC(=O)CNC(=O)Cc1ccncc1 240690a_100000711301_100011201483 [0,0,0,0,0,2|2,0,0]=4 4443 B14R1.423 NC(=O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000711301 [0,0,0,0,0,2|2,0,0]=4 4444 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [0,0,0,0,0,2|1,0,0]=3 4445 B14R1.423 NC(=O)NCC(=O)Cc1ccccn1 1458a_100000184981_100000721315 [0,0,0,0,0,2|2,0,0]=4 4446 B14R1.423 NC(=O)NCC(=O)Cc1cccnc1 1458a_100000184981_100000733263 [0,0,0,0,0,2|2,0,0]=4 4447 B14R1.423 NC(=O)NCC(=O)Cc1ccncc1 1458a_100000184981_100000705612 [0,0,0,0,0,2|2,0,0]=4 4448 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000184981 [0,0,0,0,0,2|2,0,0]=4 4449 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000184981 [0,0,0,0,0,2|2,0,0]=4 4450 B14R1.423 O=C(CC[N+](=O)[O-])Cc1ccccc1 1458a_200000064761_100015291786 [0,0,0,0,0,2|1,0,1]=4 4451 B14R1.423 [13CH3]C(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_200025704644 [0,0,0,0,0,2|2,0,0]=4 4452 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,0,0,0,0,2|2,0,0]=4 4453 B14R1.423 [13CH3]C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200025704644 [0,0,0,0,0,2|1,0,0]=3 4454 B14R1.423 [13CH3]C(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200025704644 [0,0,0,0,0,2|2,0,0]=4 4455 B14R1.818 C=C(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000748629 [0,0,0,0,0,2|2,0,0]=4 4456 B14R1.818 C=C(C)CC(=O)COc1ccccc1 1458a_100000186222_100000748629 [0,0,0,0,0,2|2,0,0]=4 4457 B14R1.818 C=C(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000748629 [0,0,0,0,0,2|2,0,0]=4 4458 B14R1.818 C=C(F)CC(=O)CCc1ccccc1 1458a_100000185753_100009893438 [0,0,0,0,0,2|2,0,0]=4 4459 B14R1.818 C=C(F)CC(=O)COc1ccccc1 1458a_100000186222_100009893438 [0,0,0,0,0,2|2,0,0]=4 4460 B14R1.818 C=C(F)CC(=O)CSc1ccccc1 1458a_100000211596_100009893438 [0,0,0,0,0,2|2,0,0]=4 4461 B14R1.818 CC(=CC(=O)CCc1ccccc1)C 1458a_100000211388_100000765856 [0,0,0,0,0,2|2,0,0]=4 4462 B14R1.818 CC(=CC(=O)CCc1ccccc1)Cl 1458a_200042562850_100000765856 [0,0,0,0,0,2|2,0,0]=4 4463 B14R1.818 CC(=CC(=O)CCc1ccccc1)I 1458a_100025716642_100000765856 [0,0,0,0,0,2|2,0,0]=4 4464 B14R1.818 CC(=CC(=O)NCc1ccccc1)C 11a_100015324214_100000211388 [0,0,0,0,0,2|2,0,0]=4 4465 B14R1.818 CC(=CC(=O)NCc1ccccc1)C 1626a_100015324214_100000211388 [0,0,0,0,0,2|2,0,0]=4 4466 B14R1.818 CC(=CC(=O)NCc1ccccc1)C 240690a_100015324214_100000211388 [0,0,0,0,0,2|2,0,0]=4 4467 B14R1.818 CC(=CC(=O)NCc1ccccc1)Cl 11a_100015324214_200042562850 [0,0,0,0,0,2|2,0,0]=4 4468 B14R1.818 CC(=CC(=O)NCc1ccccc1)Cl 1626a_100015324214_200042562850 [0,0,0,0,0,2|2,0,0]=4 4469 B14R1.818 CC(=CC(=O)NCc1ccccc1)Cl 240690a_100015324214_200042562850 [0,0,0,0,0,2|2,0,0]=4 4470 B14R1.818 CC(=CC(=O)NCc1ccccc1)I 11a_100015324214_100025716642 [0,0,0,0,0,2|2,0,0]=4 4471 B14R1.818 CC(=CC(=O)NCc1ccccc1)I 1626a_100015324214_100025716642 [0,0,0,0,0,2|2,0,0]=4 4472 B14R1.818 CC(=O)CC(=O)CCc1ccccc1 1458a_100000070787_100012361361 [0,0,0,0,0,2|1,0,0]=3 4473 B14R1.818 CC(=O)CC(=O)NCc1ccccc1 1458a_100000070787_100000183539 [0,0,0,0,0,2|1,0,0]=3 4474 B14R1.818 CC(=O)CC(=O)NCc1ccccn1 1458a_100000070787_100000684169 [0,0,0,0,0,2|2,0,0]=4 4475 B14R1.818 CC(=O)CC(=O)NCc1ccncc1 1458a_100000070787_100011243468 [0,0,0,0,0,2|2,0,0]=4 4476 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 1458a_100000037839_200000210301 [0,0,0,0,0,2|1,0,0]=3 4477 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 1458a_100000070787_100000753625 [0,0,0,0,0,2|1,0,0]=3 4478 B14R1.818 CC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000183797 [0,0,0,0,0,2|1,0,0]=3 4479 B14R1.818 CC(=O)NC(=O)COc1cccnc1 7a_100000210849_100000183797 [0,0,0,0,0,2|2,0,0]=4 4480 B14R1.818 CC(=O)NC(=O)CSc1ccccc1 62a_100000719477_100000183797 [0,0,0,0,0,2|1,0,0]=3 4481 B14R1.818 CC(=O)NC(=O)CSc1ccccn1 62a_100011216584_100000183797 [0,0,0,0,0,2|2,0,0]=4 4482 B14R1.818 CC(=O)NC(=O)CSc1cccnc1 62a_100000210063_100000183797 [0,0,0,0,0,2|2,0,0]=4 4483 B14R1.818 CC(=O)NC(=O)CSc1ccncc1 62a_100000728582_100000183797 [0,0,0,0,0,2|2,0,0]=4 4484 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [0,0,0,0,0,2|1,0,1]=4 4485 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [0,0,0,0,0,2|1,0,1]=4 4486 B14R1.818 CC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218427 [0,0,0,0,0,2|1,0,1]=4 4487 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,0,0,0,0,2|2,0,0]=4 4488 B14R1.818 CN(CSc1ccccc1)CC(=O)O 269956a_100000746989_100011218342 [0,0,0,0,0,2|2,0,0]=4 4489 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [0,0,0,0,0,2|1,0,1]=4 4490 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 240690a_100015324214_100011933948 [0,0,0,0,0,2|1,0,1]=4 4491 B14R1.818 NC(=O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000187820 [0,0,0,0,0,2|1,0,1]=4 4492 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,0,0,0,0,2|1,0,1]=4 4493 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000187820 [0,0,0,0,0,2|1,0,0]=3 4494 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100134613110_100000765856 [0,0,0,0,0,2|1,0,0]=3 4495 B14R1.818 NC(=O)CC(=O)CCc1ccccn1 1458a_100015195070_100000187820 [0,0,0,0,0,2|2,0,0]=4 4496 B14R1.818 NC(=O)CC(=O)CCc1ccccn1 1458a_100134613110_100015183660 [0,0,0,0,0,2|2,0,0]=4 4497 B14R1.818 NC(=O)CC(=O)CCc1cccnc1 1458a_100000198484_100000187820 [0,0,0,0,0,2|2,0,0]=4 4498 B14R1.818 NC(=O)CC(=O)CCc1cccnc1 1458a_100134613110_200011713674 [0,0,0,0,0,2|2,0,0]=4 4499 B14R1.818 NC(=O)CC(=O)CCc1ccncc1 1458a_100011225043_100000187820 [0,0,0,0,0,2|2,0,0]=4 4500 B14R1.818 NC(=O)CC(=O)CCc1ccncc1 1458a_100134613110_100000723409 [0,0,0,0,0,2|2,0,0]=4 4501 B14R1.818 NC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000187820 [0,0,0,0,0,2|1,0,0]=3 4502 B14R1.818 NC(=O)CC(=O)COc1ccccn1 1458a_100102699861_100000187820 [0,0,0,0,0,2|2,0,0]=4 4503 B14R1.818 NC(=O)CC(=O)COc1cccnc1 1458a_100015207166_100000187820 [0,0,0,0,0,2|2,0,0]=4 4504 B14R1.818 NC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000187820 [0,0,0,0,0,2|1,0,0]=3 4505 B14R1.818 NC(=O)CC(=O)CSc1ccccn1 1458a_100000156281_100000187820 [0,0,0,0,0,2|2,0,0]=4 4506 B14R1.818 NC(=O)CC(=O)CSc1ccncc1 1458a_100000211328_100000187820 [0,0,0,0,0,2|2,0,0]=4 4507 B14R1.818 NC(=O)CC(=O)NCc1ccccc1 240690a_100015324214_100134613110 [0,0,0,0,0,2|1,0,0]=3 4508 B14R1.818 NC(=O)CC(=O)NCc1ccccc1 527a_100015324214_100134613110 [0,0,0,0,0,2|1,0,0]=3 4509 B14R1.818 NC(=O)CC(=O)NCc1ccccn1 240690a_100000210449_100134613110 [0,0,0,0,0,2|2,0,0]=4 4510 B14R1.818 NC(=O)CC(=O)NCc1ccccn1 527a_100000210449_100134613110 [0,0,0,0,0,2|2,0,0]=4 4511 B14R1.818 NC(=O)CC(=O)NCc1cccnc1 240690a_100000210453_100134613110 [0,0,0,0,0,2|2,0,0]=4 4512 B14R1.818 NC(=O)CC(=O)NCc1cccnc1 527a_100000210453_100134613110 [0,0,0,0,0,2|2,0,0]=4 4513 B14R1.818 NC(=O)CC(=O)NCc1ccncc1 240690a_100000210450_100134613110 [0,0,0,0,0,2|2,0,0]=4 4514 B14R1.818 NC(=O)CC(=O)NCc1ccncc1 527a_100000210450_100134613110 [0,0,0,0,0,2|2,0,0]=4 4515 B14R1.818 NC(=O)CC(=O)NNc1ccccc1 22a_100015195140_100134613110 [0,0,0,0,0,2|2,0,0]=4 4516 B14R1.818 NC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000182717 [0,0,0,0,0,2|1,0,0]=3 4517 B14R1.818 NC(=O)NC(=O)COc1cccnc1 7a_100000210849_100000182717 [0,0,0,0,0,2|2,0,0]=4 4518 B14R1.818 NC(=O)NC(=O)CSc1ccccc1 62a_100000719477_100000182717 [0,0,0,0,0,2|1,0,0]=3 4519 B14R1.818 NC(=O)NC(=O)CSc1ccccn1 62a_100011216584_100000182717 [0,0,0,0,0,2|2,0,0]=4 4520 B14R1.818 NC(=O)NC(=O)CSc1cccnc1 62a_100000210063_100000182717 [0,0,0,0,0,2|2,0,0]=4 4521 B14R1.818 NC(=O)NC(=O)CSc1ccncc1 62a_100000728582_100000182717 [0,0,0,0,0,2|2,0,0]=4 4522 B14R1.818 O=C(C=C(Cl)Cl)CCc1ccccc1 1458a_100000137448_100000765856 [0,0,0,0,0,2|2,0,0]=4 4523 B14R1.818 O=C(C=C(Cl)Cl)NCc1ccccc1 1626a_100015324214_100000137448 [0,0,0,0,0,2|2,0,0]=4 4524 B14R1.818 O=C(C=C(Cl)Cl)NCc1ccccc1 240690a_100015324214_100000137448 [0,0,0,0,0,2|2,0,0]=4 4525 B14R1.818 O=C(CCc1ccccc1)C[N+](=O)[O-] 1458a_100000185753_100000761209 [0,0,0,0,0,2|1,0,1]=4 4526 B14R1.818 O=C(COc1ccccc1)C[N+](=O)[O-] 1458a_100000186222_100000761209 [0,0,0,0,0,2|1,0,1]=4 4527 B14R1.818 O=C(CSc1ccccc1)C[N+](=O)[O-] 1458a_100000211596_100000761209 [0,0,0,0,0,2|1,0,1]=4 4528 B14R1.818 O=C([O-])CC(=O)C#Cc1ccccc1 1458a_100000736102_100020667443 [0,0,0,0,0,2|0,0,2]=4 4529 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,0,0,0,0,2|0,0,2]=4 4530 B14R1.818 O=C([O-])CC(=O)CCc1ccccc1 1458a_100000185753_100020667443 [0,0,0,0,0,2|0,0,1]=3 4531 B14R1.818 O=C([O-])CC(=O)CCc1ccccn1 1458a_100015195070_100020667443 [0,0,0,0,0,2|1,0,1]=4 4532 B14R1.818 O=C([O-])CC(=O)CCc1cccnc1 1458a_100000198484_100020667443 [0,0,0,0,0,2|1,0,1]=4 4533 B14R1.818 O=C([O-])CC(=O)CCc1ccncc1 1458a_100011225043_100020667443 [0,0,0,0,0,2|1,0,1]=4 4534 B14R1.818 O=C([O-])CC(=O)COc1ccccc1 1458a_100000186222_100020667443 [0,0,0,0,0,2|0,0,1]=3 4535 B14R1.818 O=C([O-])CC(=O)COc1ccccn1 1458a_100102699861_100020667443 [0,0,0,0,0,2|1,0,1]=4 4536 B14R1.818 O=C([O-])CC(=O)COc1cccnc1 1458a_100015207166_100020667443 [0,0,0,0,0,2|1,0,1]=4 4537 B14R1.818 O=C([O-])CC(=O)CSc1ccccc1 1458a_100000211596_100020667443 [0,0,0,0,0,2|0,0,1]=3 4538 B14R1.818 O=C([O-])CC(=O)CSc1ccccn1 1458a_100000156281_100020667443 [0,0,0,0,0,2|1,0,1]=4 4539 B14R1.818 O=C([O-])CC(=O)CSc1ccncc1 1458a_100000211328_100020667443 [0,0,0,0,0,2|1,0,1]=4 4540 B14R1.818 [13CH3]C(=O)CC(=O)OCc1ccccc1 1458a_100000037839_200025704644 [0,0,0,0,0,2|1,0,0]=3 4541 B14R1.6449 C=C(Br)C(=O)NCCc1ccccc1 11a_100000106460_100009813364 [0,0,0,0,0,2|2,0,0]=4 4542 B14R1.6449 C=C(Br)C(=O)NCCc1ccccc1 1626a_100000106460_100009813364 [0,0,0,0,0,2|2,0,0]=4 4543 B14R1.6449 C=C(C)C(=O)C/C=C/c1ccccc1 1458a_100000185857_100016265936 [0,0,0,0,0,2|2,0,0]=4 4544 B14R1.6449 C=C(C)C(=O)CC#Cc1ccccc1 1458a_100000185857_100011352542 [0,0,0,0,0,2|2,0,0]=4 4545 B14R1.6449 C=C(C)C(=O)CCCc1ccccc1 1458a_100000185857_100000211621 [0,0,0,0,0,2|2,0,0]=4 4546 B14R1.6449 C=C(C)C(=O)CCOc1ccccc1 1458a_100000185857_100000184471 [0,0,0,0,0,2|2,0,0]=4 4547 B14R1.6449 C=C(C)C(=O)CCSc1ccccc1 1458a_100000185857_100000246102 [0,0,0,0,0,2|2,0,0]=4 4548 B14R1.6449 C=C(C)C(=O)CSCc1ccccc1 1458a_100000185857_200011217039 [0,0,0,0,0,2|2,0,0]=4 4549 B14R1.6449 C=C(C)C(=O)NCCc1ccccc1 11a_100000106460_100000185857 [0,0,0,0,0,2|2,0,0]=4 4550 B14R1.6449 C=C(C)C(=O)NCCc1ccccc1 1626a_100000106460_100000185857 [0,0,0,0,0,2|2,0,0]=4 4551 B14R1.6449 C=C(C)C(=O)NNCc1ccccc1 22a_100000007032_100000185857 [0,0,0,0,0,2|2,0,0]=4 4552 B14R1.6449 C=C(Cl)C(=O)NCCc1ccccc1 11a_100000106460_100000039160 [0,0,0,0,0,2|2,0,0]=4 4553 B14R1.6449 C=C(Cl)C(=O)NCCc1ccccc1 1626a_100000106460_100000039160 [0,0,0,0,0,2|2,0,0]=4 4554 B14R1.6449 C=C(Cl)C(=O)NNCc1ccccc1 22a_100000007032_100000039160 [0,0,0,0,0,2|2,0,0]=4 4555 B14R1.6449 C=C(F)C(=O)NCCc1ccccc1 11a_100000106460_100000036797 [0,0,0,0,0,2|2,0,0]=4 4556 B14R1.6449 C=C(F)C(=O)NCCc1ccccc1 1626a_100000106460_100000036797 [0,0,0,0,0,2|2,0,0]=4 4557 B14R1.6449 C=C(F)C(=O)NNCc1ccccc1 22a_100000007032_100000036797 [0,0,0,0,0,2|2,0,0]=4 4558 B14R1.6449 CC(=O)C(=O)CNCc1ccccc1 34a_100015324214_100011261029 [0,0,0,0,0,2|1,0,0]=3 4559 B14R1.6449 CC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011261029 [0,0,0,0,0,2|1,0,0]=3 4560 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100011261029 [0,0,0,0,0,2|1,0,0]=3 4561 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100011261029_100015291786 [0,0,0,0,0,2|1,0,0]=3 4562 B14R1.6449 CC(=O)C(=O)CSCc1ccccn1 62a_100000721315_100011261029 [0,0,0,0,0,2|2,0,0]=4 4563 B14R1.6449 CC(=O)C(=O)CSCc1ccccn1 62a_100011261029_100000721315 [0,0,0,0,0,2|2,0,0]=4 4564 B14R1.6449 CC(=O)C(=O)CSCc1cccnc1 62a_100000741622_100011261029 [0,0,0,0,0,2|2,0,0]=4 4565 B14R1.6449 CC(=O)C(=O)CSCc1cccnc1 62a_100011261029_100000741622 [0,0,0,0,0,2|2,0,0]=4 4566 B14R1.6449 CC(=O)C(=O)CSCc1ccncc1 62a_100011261029_100015193705 [0,0,0,0,0,2|2,0,0]=4 4567 B14R1.6449 CC(=O)C(=O)CSCc1ccncc1 62a_100015193705_100011261029 [0,0,0,0,0,2|2,0,0]=4 4568 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,0,0,0,0,2|1,0,1]=4 4569 B14R1.6449 C[C@@H](O)C(=O)C/C=C/c1ccccc1 1458a_100000717761_100016265936 [0,0,0,0,0,2|1,0,1]=4 4570 B14R1.6449 C[C@@H](O)C(=O)CC#Cc1ccccc1 1458a_100000717761_100011352542 [0,0,0,0,0,2|1,0,1]=4 4571 B14R1.6449 C[C@@H](O)C(=O)CCCc1ccccc1 1458a_100000717761_100000211621 [0,0,0,0,0,2|1,0,1]=4 4572 B14R1.6449 C[C@@H](O)C(=O)CCOc1ccccc1 1458a_100000717761_100000184471 [0,0,0,0,0,2|1,0,1]=4 4573 B14R1.6449 C[C@@H](O)C(=O)CCSc1ccccc1 1458a_100000717761_100000246102 [0,0,0,0,0,2|1,0,1]=4 4574 B14R1.6449 C[C@@H](O)C(=O)CSCc1ccccc1 1458a_100000717761_200011217039 [0,0,0,0,0,2|1,0,1]=4 4575 B14R1.6449 C[C@@H](O)C(=O)NCCc1ccccc1 240690a_100000106460_100000717761 [0,0,0,0,0,2|1,0,1]=4 4576 B14R1.6449 C[C@@H](O)C(=O)NNCc1ccccc1 22a_100000007032_100000717761 [0,0,0,0,0,2|1,0,1]=4 4577 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,0,0,0,0,2|1,0,1]=4 4578 B14R1.6449 C[C@H](NCSc1ccccc1)C(=O)O 269956a_100000743915_100011218342 [0,0,0,0,0,2|1,0,1]=4 4579 B14R1.6449 C[C@H](O)C(=O)C/C=C/c1ccccc1 1458a_217856618621_100016265936 [0,0,0,0,0,2|1,0,1]=4 4580 B14R1.6449 C[C@H](O)C(=O)CC#Cc1ccccc1 1458a_217856618621_100011352542 [0,0,0,0,0,2|1,0,1]=4 4581 B14R1.6449 C[C@H](O)C(=O)CCCc1ccccc1 1458a_217856618621_100000211621 [0,0,0,0,0,2|1,0,1]=4 4582 B14R1.6449 C[C@H](O)C(=O)CCOc1ccccc1 1458a_217856618621_100000184471 [0,0,0,0,0,2|1,0,1]=4 4583 B14R1.6449 C[C@H](O)C(=O)CCSc1ccccc1 1458a_217856618621_100000246102 [0,0,0,0,0,2|1,0,1]=4 4584 B14R1.6449 C[C@H](O)C(=O)CSCc1ccccc1 1458a_217856618621_200011217039 [0,0,0,0,0,2|1,0,1]=4 4585 B14R1.6449 C[C@H](O)C(=O)NCCc1ccccc1 1626a_100000106460_217856618621 [0,0,0,0,0,2|1,0,1]=4 4586 B14R1.6449 C[C@H](O)C(=O)NCCc1ccccc1 240690a_100000106460_217856618621 [0,0,0,0,0,2|1,0,1]=4 4587 B14R1.6449 C[C@H](O)C(=O)NNCc1ccccc1 22a_100000007032_217856618621 [0,0,0,0,0,2|1,0,1]=4 4588 B14R1.6449 NC(=O)C(=O)NCCc1ccccc1 240690a_100000106460_100011215815 [0,0,0,0,0,2|1,0,0]=3 4589 B14R1.6449 NC(=O)C(=O)NCCc1ccccn1 240690a_100000211156_100011215815 [0,0,0,0,0,2|2,0,0]=4 4590 B14R1.6449 NC(=O)C(=O)NCCc1cccnc1 240690a_100000736294_100011215815 [0,0,0,0,0,2|2,0,0]=4 4591 B14R1.6449 NC(=O)C(=O)NCCc1ccncc1 240690a_100000742849_100011215815 [0,0,0,0,0,2|2,0,0]=4 4592 B14R1.6449 NC(=O)C(=O)NN=Cc1ccccc1 4a_100000211141_100015611070 [0,0,0,0,0,2|1,0,1]=4 4593 B14R1.6449 NC(=O)C(=O)NNCc1ccccc1 22a_100000007032_100011215815 [0,0,0,0,0,2|1,0,0]=3 4594 B14R1.6449 NC(=O)C(=O)NNCc1ccccn1 22a_100000736832_100011215815 [0,0,0,0,0,2|2,0,0]=4 4595 B14R1.6449 NC(=O)C(=O)NNCc1cccnc1 22a_100000738295_100011215815 [0,0,0,0,0,2|2,0,0]=4 4596 B14R1.6449 NC(=O)C(=O)NNCc1ccncc1 22a_100000736929_100011215815 [0,0,0,0,0,2|2,0,0]=4 4597 B14R1.6449 O=C(C/C=C/c1ccccc1)C(O)O 1458a_100000233687_100016265936 [0,0,0,0,0,2|0,0,2]=4 4598 B14R1.6449 O=C(CC#Cc1ccccc1)C(O)O 1458a_100000233687_100011352542 [0,0,0,0,0,2|0,0,2]=4 4599 B14R1.6449 O=C(CCCc1ccccc1)C(O)O 1458a_100000233687_100000211621 [0,0,0,0,0,2|0,0,2]=4 4600 B14R1.6449 O=C(CCOc1ccccc1)C(O)O 1458a_100000233687_100000184471 [0,0,0,0,0,2|0,0,2]=4 4601 B14R1.6449 O=C(CCSc1ccccc1)C(O)O 1458a_100000233687_100000246102 [0,0,0,0,0,2|0,0,2]=4 4602 B14R1.6449 O=C(CSCc1ccccc1)C(O)O 1458a_100000233687_200011217039 [0,0,0,0,0,2|0,0,2]=4 4603 B14R1.6449 O=C(NCCc1ccccc1)C(O)O 240690a_100000106460_100000233687 [0,0,0,0,0,2|0,0,2]=4 4604 B14R1.6449 O=C(NNCc1ccccc1)C(O)O 22a_100000007032_100000233687 [0,0,0,0,0,2|0,0,2]=4 4605 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,0,0,0,0,2|1,0,1]=4