0 B24R3.3206211 CC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 11a_100020649134_100015343762 [1,0,0,0,0,0|1,0,0]=2 1 B24R3.3206211 CC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 1626a_100020649134_100015343762 [1,0,0,0,0,0|1,0,0]=2 2 B24R3.3206211 CC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 240690a_100020649134_100015343762 [1,0,0,0,0,0|1,0,0]=2 3 B24R3.3206211 CC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 527a_100020649134_100103153847 [1,0,0,0,0,0|1,0,0]=2 4 B24R3.3206211 CC(C)NC1N=C(c2ccccc2NC1=O)c3ccccc3 2230a_100020649134_100000210206 [1,0,0,0,0,0|2,0,1]=4 5 B24R2.25887 CC(=O)NC(CCc1ccccc1)C(=O)Nc2ccc(cc2)Cl 11a_100000210052_200011902799 [0,0,1,0,0,0|2,0,1]=4 6 B24R2.25887 CC(=O)NC(CCc1ccccc1)C(=O)Nc2ccc(cc2)Cl 1626a_100000210052_200011902799 [0,0,1,0,0,0|2,0,1]=4 7 B24R2.25887 CC(=O)NC(CCc1ccccc1)C(=O)Nc2ccc(cc2)Cl 22a_100000210052_200011902799 [0,0,1,0,0,0|2,0,1]=4 8 B24R2.25887 CC(=O)NC(CCc1ccccc1)C(=O)Nc2ccc(cc2)Cl 527a_100000210052_200011902799 [0,0,1,0,0,0|2,0,1]=4 9 B24R2.25887 CC(=O)NC(CSc1ccccc1)C(=O)Nc2ccc(cc2)Cl 11a_100000210052_200011218355 [0,0,1,0,0,0|3,0,0]=4 10 B24R2.25887 CC(=O)NC(CSc1ccccc1)C(=O)Nc2ccc(cc2)Cl 1626a_100000210052_200011218355 [0,0,1,0,0,0|3,0,0]=4 11 B24R2.25887 CC(=O)NC(CSc1ccccc1)C(=O)Nc2ccc(cc2)Cl 22a_100000210052_200011218355 [0,0,1,0,0,0|3,0,0]=4 12 B24R2.25887 CC(=O)NC(CSc1ccccc1)C(=O)Nc2ccc(cc2)Cl 527a_100000210052_200011218355 [0,0,1,0,0,0|3,0,0]=4 13 B24R2.483044 CC(=O)NCC(=O)Nc1ccc(cc1C(O)c2ccccc2)Cl 22a_100000011915_100000194580 [0,0,1,0,0,0|2,0,1]=4 14 B24R2.483044 CC(=O)OCC(=O)Nc1ccc(cc1C(C)c2ccccc2)C 1626a_100010591190_100000183556 [0,0,1,0,0,0|2,0,1]=4 15 B24R2.483044 CC(=O)OCC(=O)Nc1ccc(cc1C(C)c2ccccc2)C 22a_100010591190_100000183556 [0,0,1,0,0,0|2,0,1]=4 16 B24R2.483044 CC(=O)OCC(=O)Nc1ccc(cc1C(O)c2ccccc2)Cl 22a_100000011915_100000183556 [0,0,1,0,0,0|1,0,1]=3 17 B24R3.139167 CC(=O)Cc1c(c2cc(ccc2[nH]c1=O)Cl)c3ccccc3 1458a_100026543904_200000210301 [0,0,0,0,1,0|1,0,1]=3 18 B24R3.139167 [13CH3]C(=O)Cc1c(c2cc(ccc2[nH]c1=O)Cl)c3ccccc3 1458a_100026543904_200025704644 [0,0,0,0,1,0|1,0,1]=3 19 B23R2.470966 CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc2ccccc2 11a_100000211252_100009816467 [1,0,1,0,0,0|1,0,1]=4 20 B23R2.470966 CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc2ccccc2 1626a_100000211252_100009816467 [1,0,1,0,0,0|1,0,1]=4 21 B23R2.470966 CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Oc2ccccc2 11a_100000182328_100009816467 [1,0,1,0,0,0|2,0,0]=4 22 B23R2.470966 CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Oc2ccccc2 1626a_100000182328_100009816467 [1,0,1,0,0,0|2,0,0]=4 23 B23R2.470966 CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Sc2ccccc2 11a_100000210917_100009816467 [1,0,1,0,0,0|2,0,0]=4 24 B23R2.470966 CC(=O)O[C@@H](C)C(=O)Nc1ccccc1Sc2ccccc2 1626a_100000210917_100009816467 [1,0,1,0,0,0|2,0,0]=4 25 B23R2.472554 CC(=O)OCC(=O)Nc1ccccc1C(O)c2ccccc2 22a_100000246470_100000183556 [1,0,1,0,0,0|1,0,1]=4 26 B23R3.619640 CCNC1N=C(c2ccccc2NC1=O)c3ccccc3 2230a_100020649134_100000210202 [2,0,0,0,0,0|1,0,1]=4 27 B25R3.3574814 CS(=O)(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 40a_100020649134_100000738038 [1,1,0,0,0,0|2,0,0]=4 28 B25R3.43795985 C=CC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 1626a_100020649134_100000185746 [1,1,0,0,0,0|1,0,1]=4 29 B25R3.43795985 C=CC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 240690a_100020649134_200121576911 [1,1,0,0,0,0|1,0,1]=4 30 B25R3.43795985 CCC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 11a_100020649134_100000210414 [1,1,0,0,0,0|1,0,0]=3 31 B25R3.43795985 CCC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 1626a_100020649134_100000210414 [1,1,0,0,0,0|1,0,0]=3 32 B25R3.43795985 CCC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 240690a_100020649134_100000210414 [1,1,0,0,0,0|1,0,0]=3 33 B25R3.43795985 CCC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 527a_100020649134_100000210414 [1,1,0,0,0,0|1,0,0]=3 34 B25R3.43795985 CNC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 273464a_100102657272_100020649134 [1,1,0,0,0,0|1,0,0]=3 35 B25R3.43795985 CNC(=O)NC1N=C(c2ccccc2NC1=O)c3ccccc3 512a_106832991638_100020649134 [1,1,0,0,0,0|1,0,0]=3 36 B25R3.43795985 O=C(CO)NC1N=C(c2ccccc2NC1=O)c3ccccc3 240690a_100020649134_100000210174 [1,1,0,0,0,0|1,0,0]=3 37 B25R3.43795985 O=C(CO)NC1N=C(c2ccccc2NC1=O)c3ccccc3 527a_100020649134_100000210174 [1,1,0,0,0,0|1,0,0]=3 38 B25R3.45177712 CCC(=O)Cc1c(c2cc(ccc2[nH]c1=O)Cl)c3ccccc3 1458a_100026543904_100000210202 [0,1,0,0,1,0|1,0,1]=4 39 B25R3.45177712 CNC(=O)Cc1c(c2cc(ccc2[nH]c1=O)Cl)c3ccccc3 240690a_100102657272_100026543904 [0,1,0,0,1,0|1,0,1]=4 40 B25R3.45177712 O=C(CF)Cc1c(c2cc(ccc2[nH]c1=O)Cl)c3ccccc3 1458a_100026543904_100015361967 [0,1,0,0,1,0|1,0,1]=4 41 B23R2.25476 CC(=O)NC(=Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 22a_100000210052_100000211484 [0,0,1,0,1,0|1,0,1]=4 42 B23R2.25476 CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 11a_100000210052_100011416797 [0,0,1,0,1,0|1,0,1]=4 43 B23R2.25476 CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 1626a_100000210052_100011416797 [0,0,1,0,1,0|1,0,1]=4 44 B23R2.25476 CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 22a_100000210052_100011416797 [0,0,1,0,1,0|1,0,1]=4 45 B23R2.25476 CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 527a_100000210052_100011416797 [0,0,1,0,1,0|1,0,1]=4 46 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Cc2ccc(cc2)Cl 1458a_200015294773_100000694040 [0,0,1,0,1,0|1,0,1]=4 47 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Br 11a_100000210018_200015294773 [0,0,1,0,1,0|0,1,1]=4 48 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Br 1626a_100000210018_200015294773 [0,0,1,0,1,0|0,1,1]=4 49 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Br 22a_100000210018_200015294773 [0,0,1,0,1,0|0,1,1]=4 50 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Br 527a_100000210018_200015294773 [0,0,1,0,1,0|0,1,1]=4 51 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)C 11a_100000124888_200015294773 [0,0,1,0,1,0|1,0,1]=4 52 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)C 1626a_100000124888_200015294773 [0,0,1,0,1,0|1,0,1]=4 53 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)C 22a_100000124888_200015294773 [0,0,1,0,1,0|1,0,1]=4 54 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)C 527a_100000124888_200015294773 [0,0,1,0,1,0|1,0,1]=4 55 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 11a_100000210052_200015294773 [0,0,1,0,1,0|0,0,1]=3 56 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 1626a_100000210052_200015294773 [0,0,1,0,1,0|0,0,1]=3 57 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 22a_100000210052_200015294773 [0,0,1,0,1,0|0,0,1]=3 58 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)Cl 527a_100000210052_200015294773 [0,0,1,0,1,0|0,0,1]=3 59 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)F 11a_100000185862_200015294773 [0,0,1,0,1,0|0,1,1]=4 60 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)F 1626a_100000185862_200015294773 [0,0,1,0,1,0|0,1,1]=4 61 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)F 22a_100000185862_200015294773 [0,0,1,0,1,0|0,1,1]=4 62 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)F 527a_100000185862_200015294773 [0,0,1,0,1,0|0,1,1]=4 63 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)I 11a_100000185761_200015294773 [0,0,1,0,1,0|0,1,1]=4 64 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)I 1626a_100000185761_200015294773 [0,0,1,0,1,0|0,1,1]=4 65 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)I 22a_100000185761_200015294773 [0,0,1,0,1,0|0,1,1]=4 66 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)I 527a_100000185761_200015294773 [0,0,1,0,1,0|0,1,1]=4 67 B23R2.25476 CC(=O)O[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)O 22a_100000185829_200015294773 [0,0,1,0,1,0|1,0,1]=4 68 B23R2.182215 CC(=O)N[C@H](C)C(=O)Nc1ccc(cc1c2ccccc2)Cl 11a_100000716729_100011504603 [0,0,1,0,1,0|2,0,0]=4 69 B23R2.182215 CC(=O)N[C@H](C)C(=O)Nc1ccc(cc1c2ccccc2)Cl 1626a_100000716729_100011504603 [0,0,1,0,1,0|2,0,0]=4 70 B23R2.182215 CC(=O)O[C@@H](C)C(=O)Nc1ccc(cc1c2ccccc2)Cl 11a_100000716729_100009816467 [0,0,1,0,1,0|1,0,0]=3 71 B23R2.182215 CC(=O)O[C@@H](C)C(=O)Nc1ccc(cc1c2ccccc2)Cl 1626a_100000716729_100009816467 [0,0,1,0,1,0|1,0,0]=3 72 B23R2.8307750 CC(=O)CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Br 1458a_100000070787_103437846673 [0,0,1,0,1,0|1,1,0]=4 73 B23R2.8307750 CC(=O)CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl 1458a_100000070787_100000034880 [0,0,1,0,1,0|1,0,0]=3 74 B23R3.349705 CC(=O)Cn1nc(c2ccccc2c1=O)c3ccccc3 1458a_200015185760_200000210301 [1,0,0,0,1,0|2,0,0]=4 75 B23R3.349705 [13CH3]C(=O)Cn1nc(c2ccccc2c1=O)c3ccccc3 1458a_200015185760_200025704644 [1,0,0,0,1,0|2,0,0]=4 76 B25R2.566272 CC(=O)OCC(=O)Nc1ccc(cc1C(=O)Nc2ccccc2)C 1626a_100000932364_100000183556 [0,0,1,0,0,1|2,0,0]=4 77 B25R2.566272 CC(=O)OCC(=O)Nc1ccc(cc1C(=O)Nc2ccccc2)C 22a_100000932364_100000183556 [0,0,1,0,0,1|2,0,0]=4 78 B25R2.566272 CC(=O)OCC(=O)Nc1ccc(cc1C(=O)Nc2ccccc2)F 1626a_200034060573_100000183556 [0,0,1,0,0,1|1,1,0]=4 79 B25R2.14677609 CC(=O)OCC(=O)CNc1ccc(cc1C(O)c2ccccc2)Cl 34a_100000011915_100000036994 [0,0,1,0,0,1|1,0,1]=4 80 B25R2.14677609 CC(=O)OCC(=O)COc1ccc(cc1C(=O)c2ccccc2)Cl 34a_100011215916_100000036994 [0,0,1,0,0,1|2,0,0]=4 81 B25R3.3574813 C=C(C)CNC1N=C(c2ccccc2NC1=O)c3ccccc3 2230a_100020649134_100000748629 [1,0,0,0,0,1|2,0,0]=4 82 B25R3.3574813 NC(=O)CNC1N=C(c2ccccc2NC1=O)c3ccccc3 2230a_100020649134_100000747473 [1,0,0,0,0,1|2,0,0]=4