0 B12R1.43 C=C(Br)C(=O)Nc1ccccn1 837b6e5809a8952df3a3444275bcdb6b [0,0,1,0,0,0|3,0,0]=4 1 B12R1.43 C=C(Br)C(=O)Nc1cccnc1 7703550a52540abf80908b775ec3d804 [0,0,1,0,0,0|3,0,0]=4 2 B12R1.43 C=C(Br)C(=O)Nc1ccncc1 b32327489673a9cd42907dfbbaa6efb2 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.43 C=C(C)C(=O)Nc1ccccn1 52fd6fecf3a1135fc9da6c596542358b [0,0,1,0,0,0|3,0,0]=4 4 B12R1.43 C=C(C)C(=O)Nc1cccnc1 7ddd3f9f95ca11bda147a3d3eae678d2 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.43 C=C(C)C(=O)Nc1ccncc1 a6503895f463ead4cfde686cd1ac4ab0 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.43 C=C(F)C(=O)Nc1ccccn1 18214a0ba3e5d2127a3f4d1134aae0ce [0,0,1,0,0,0|3,0,0]=4 7 B12R1.43 C=C(F)C(=O)Nc1cccnc1 654c8aa2035026b72d0c4da71b3cd2c4 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.43 C=C(F)C(=O)Nc1ccncc1 8eceac6429ef0db5763c47674ca9097d [0,0,1,0,0,0|3,0,0]=4 9 B12R1.43 O=C(O)C(F)Nc1ccccc1 c5ce312e32f06c5c8ff8fb1426824373 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.43 O=C(O)[C@H](F)Nc1ccccc1 a79b4fb1f0a48c194a6531a29520d20f [0,0,1,0,0,0|2,0,1]=4 11 B12R1.169 C/C=C/c1ccccc1OCC c554b6786a2d8bcd2751f78b45e76eca [0,0,1,0,0,0|2,0,1]=4 12 B12R1.169 C/C=C/c1ccccc1OCF c985106dab80d92f60de0b2fa9f000ec [0,0,1,0,0,0|2,0,1]=4 13 B12R1.169 O=CNc1ccccc1CCO c92dc30b57c13638df27621efe7922c6 [0,0,1,0,0,0|1,0,2]=4 14 B12R1.371 C=CC(=O)Nc1ccccc1Br e5d1f40bbb3972cd234b3d1559f149fb [0,0,1,0,0,0|3,0,0]=4 15 B12R1.371 C=CC(=O)Nc1ccccc1C acb3e10026991d61c64ba4069b9746f5 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.371 C=CC(=O)Nc1ccccc1Cl 4977f0e6a6edb54dfe74c87f87185b5c [0,0,1,0,0,0|3,0,0]=4 17 B12R1.371 C=CC(=O)Nc1ccccc1F dbb2194c0b6b7ae61906b5bef156a80b [0,0,1,0,0,0|3,0,0]=4 18 B12R1.371 C=CC(=O)Nc1ccccc1I 1d2658ab33296a9656a08882644409fe [0,0,1,0,0,0|3,0,0]=4 19 B12R1.371 C=CC(=O)Nc1ccccc1O 9447ec7b0f9e158ab19bcffe70be1362 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.371 C=CC(=O)Nc1ccccc1S 2b5292e4efc934dbb57e5219724c1b78 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.371 CN(C=O)Cc1ccccc1O 75c071aa833598288dd17cfc9ef4f351 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.371 Cc1ccccc1NC(=O)C=O c48e8fd2ba5e58f34d83735c8fa1debf [0,0,1,0,0,0|1,0,2]=4 23 B12R1.371 Cc1ccccc1NC(=O)CO 8d990dc3b3796a0c64c8b86b8490eb78 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.371 O=C(CO)Nc1ccccc1F d20a35cb403e68671e72a0dd460c0485 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.371 O=C(CO)Nc1ccccc1I 209ecbfb2e84cc7bc62f1762ecc4331e [0,0,1,0,0,0|2,0,1]=4 26 B12R1.371 O=C(CO)Nc1ccccc1O e8a188e3771eae8a4a1eca1b4e42b466 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.371 O=C(CO)Nc1ccccc1S e3384ae87fb80eb0958c847fa331a653 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.371 O=CC(=O)Nc1ccccc1Br 7058336679ba69d39674b3c86c28e3f9 [0,0,1,0,0,0|2,0,1]=4 29 B12R1.371 O=CC(=O)Nc1ccccc1Cl 9a72d75ca46083d23b6f52a31e240aa0 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.371 O=CC(=O)Nc1ccccc1F 1f81a01759afe8571b5912fad33207bb [0,0,1,0,0,0|2,0,1]=4 31 B12R1.371 O=CC(=O)Nc1ccccc1I 673328a9d4095e886bbc6b7e908b5522 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.371 O=CC(=O)Nc1ccccc1O e415f0146d0743efb0d7d2314f6f490f [0,0,1,0,0,0|1,0,1]=3 33 B12R1.371 O=CC(=O)Nc1ccccc1S 26651d9294816246534bfb73b52fa2e9 [0,0,1,0,0,0|1,1,1]=4 34 B12R1.371 O=CC(=O)Nc1cccnc1O b4907bd79d3d6e556ac67a2bf31ef6ff [0,0,1,0,0,0|2,0,1]=4 35 B12R1.371 O=CC(=O)Nc1cnccc1O 328d9074164ddecb14f57ebdd55ed8b8 [0,0,1,0,0,0|2,0,1]=4 36 B12R1.371 O=CC(=O)Nc1ncccc1O 266a0df55cfb0c5de57ebd822cc99554 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.40 C=CC(=O)Nc1ccccn1 34fef90711dfcaefc277492e72bbe936 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [1,0,1,0,0,0|2,0,0]=4 40 B11R1.40 C=CC(=O)Nc1ccncc1 415f0c78f33533c78fc6ab46a82fb4b2 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.41 C=Cc1ccccc1NC=O 318fa617b79be5fa4723a8d8c79b7c87 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.41 C=Cc1ccccc1OCC dd5acf9fe1868c85263d9d9b388077e8 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.41 C=Cc1ccccc1OCF 3a83b1e091c8fcb96ef72b4b0e164b48 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.41 C=Cc1ncccc1NC=O f06ac0d926f03852ca9c2a478204d4b9 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.41 O=CNc1ccccc1C=O 497f54404d9bc48b9253f4f69faf4a1b [1,0,1,0,0,0|1,0,1]=4 48 B11R1.41 O=CNc1ccccc1CO bc6eb11e23bc211022f1c9b04c7ae372 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.41 O=Cc1ccccc1NCO 96a55a358a7373757c7afe657f4d514b [1,0,1,0,0,0|1,0,1]=4 50 B11R1.17 O=CNCc1ccccc1O df0afa8c91afdac1d44912107063bd10 [1,0,1,0,0,0|1,0,1]=4 51 B11R1.86 CC(=O)Nc1ccccc1O e286e23dcc389b9a19e5097225c5ef71 [1,0,1,0,0,0|2,0,0]=4 52 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F f1d1168377b5461695f92ea341af0bc1 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)S 454a9b859808ed6ff1cc8d4805a2edf2 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 9e24fdfeceb66a471f038074e6650c09 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F ed1119f2322c1e38fda08671bd6f51bb [0,1,1,0,0,0|2,0,0]=4 56 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I a06a440e48068ac7768066ed0ec08008 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 101ad976a47de10bd52fab7f8096fa28 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)S b304a991041eec50c5816fe46dc86828 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C e2a4986263ef1aaa248d1cf86af35fda [0,1,1,0,0,0|2,0,0]=4 60 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 8823c251c857848e0e37057b85f22ab7 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)S f825e46e1b0f1bb5f55d3d03f336c8bd [0,1,1,0,0,0|2,0,0]=4 62 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 08c19ef1b1ddf94f6ce183e837de52a1 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 321e92cf38980950d0e93ec0036a1fb1 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 3c65422f67f150ca360db53a70d4a48e [0,1,1,0,0,0|2,0,0]=4 65 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O cb22ff43dffe8c6606709eac7c284b21 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)S 7e471df7355da36c6505d4b7852f0efe [0,1,1,0,0,0|2,0,0]=4 67 B13R1.135 C/C=C(/C)\C(=O)Nc1ccccc1 36d3be3979b4bfcf091d02ede04c695b [0,1,1,0,0,0|2,0,0]=4 68 B13R1.135 C/C=C(\Br)/C(=O)Nc1ccccc1 4bd6d72546a8dc929e0a44f63e4546b6 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 6f6f562818865fa03f3d70f022ad24cf [0,1,1,0,0,0|2,0,0]=4 70 B13R1.135 C/C=C(\O)/C(=O)Nc1ccccc1 eee0e1ff497f724ce424d80b97609a0c [0,1,1,0,0,0|1,0,0]=3 71 B13R1.135 C/C=C(\O)/C(=O)Nc1ccccn1 853aa20a0b52ecc933726a0911569e75 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.135 C/C=C(\O)/C(=O)Nc1cccnc1 bd1b7b8d46cffa579aaa5834856667a5 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.135 C/C=C(\O)/C(=O)Nc1ccncc1 40f0f1669f35edfd9bb536394fb83d76 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.135 C=C(CO)C(=O)Nc1ccccn1 65dc75ca6f904ebaa5df74afe459184e [0,1,1,0,0,0|2,0,0]=4 75 B13R1.135 C=C(CO)C(=O)Nc1cccnc1 2694463cd123b76b3774011a528ccdc1 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.135 C=C(CO)C(=O)Nc1ccncc1 b693347d522e30aaccf0eed3a939b915 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.135 C=CC(=O)C(=O)Nc1ccccc1 cea5efc407a0553f9473edaa659ae4e0 [0,1,1,0,0,0|1,0,1]=4 78 B13R1.135 CC=C(C)C(=O)Nc1ccccc1 fbe8483b5219b345554dc8c93d5e7765 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 9712925cf50d290c5ca581255e4e0850 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 7c5572dd8b40ece3ffd44256a3d23cac [0,1,1,0,0,0|2,0,0]=4 81 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1fd8f2e0a0175535b5e3ca97ac504802 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 3fa0a2b47d1a8340058249733b775855 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C d7f0adab9362f6757e3932b5ed64a44f [0,1,1,0,0,0|2,0,0]=4 84 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl f7d6c5fdab9be2fbed6349d3d89935f2 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 055b0209d7e74cbc13bc26c296e20c44 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I a730820077bdd3488e4e1534e08ac4df [0,1,1,0,0,0|2,0,0]=4 87 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O f6f332a64537754086a9578583de733f [0,1,1,0,0,0|2,0,0]=4 88 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 9a8c0fdb0047244854f39689c116b6d1 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 462bd4d72ad8e4a4f9cdb07265f2cfd7 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 7081b87d451027cef22f039a44d11fcc [0,1,1,0,0,0|2,0,0]=4 91 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O a365fd9b8d1ca6e67102923b86b991bd [0,1,1,0,0,0|2,0,0]=4 92 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 9498899bf230f2146ac73cfd9f88398a [0,1,1,0,0,0|2,0,0]=4 93 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 8c5ea72c1bfc7d066dd58ac1e412fca1 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F f9ea813bdc8f60db354e6c55b082d3db [0,1,1,0,0,0|2,0,0]=4 95 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 18785552453513751edbbe6d33269fd9 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O ca6c3cab665038a39d2547d06073ac9b [0,1,1,0,0,0|2,0,0]=4 97 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)S f9382276575a379b00ad4d8ba8f35750 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 13604416a3c4da70844667aefe20ef90 [0,1,1,0,0,0|2,0,0]=4 99 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1726313c329b9d628e3ad935a53840e6 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.202 C=C(Br)C(=O)Nc1ccccc1O 743b42194db7ef352787bc2efb428586 [0,1,1,0,0,0|2,0,0]=4 101 B13R1.202 C=C(Br)C(=O)Nc1ccccc1S 0dd4a6d8a3c58e5e13f3c81c9bb17be3 [0,1,1,0,0,0|2,0,0]=4 102 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 0576d9c026bd55a99b880e0285d0af3a [0,1,1,0,0,0|2,0,0]=4 103 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 9a5a7d5e77293719e5a41cbf540141f2 [0,1,1,0,0,0|2,0,0]=4 104 B13R1.202 C=C(C)C(=O)Nc1ccccc1I cd91cd8d201b261e3018d57456c9eb63 [0,1,1,0,0,0|2,0,0]=4 105 B13R1.202 C=C(C)C(=O)Nc1ccccc1O a32baba90d61f6c17232f9c526339ac7 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.202 C=C(C)C(=O)Nc1ccccc1S d7455653a2beaffe9b65441f63d45072 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 0058ea394a422f7bb45be91cf4d8a57a [0,1,1,0,0,0|2,0,0]=4 108 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I a0ad1bc9ff3f2e2a480b76fa2fd1c647 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 976ca127a4110954beef8e675fca6537 [0,1,1,0,0,0|2,0,0]=4 110 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1S 8b38f4b23dcd92c8c6b4834e3361ca8e [0,1,1,0,0,0|2,0,0]=4 111 B13R1.202 C=C(F)C(=O)Nc1ccccc1C d2f8686140d32c62732dd523ad2018cf [0,1,1,0,0,0|2,0,0]=4 112 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 0beb145d350ef96e3ed7bb89676ddb15 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.202 C=C(F)C(=O)Nc1ccccc1I dd38d16bfaff542a418b65cb8d8b1100 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 0b3a0696a4057480e92c278aff0cafc3 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.202 C=C(F)C(=O)Nc1ccccc1S bb5e77292b8d5d15539377fa3cf500f9 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.380 O=CNc1ccccc1C=C(Br)Br 08df6cadb64b93d24dbf911ef81f1ecf [0,1,1,0,0,0|2,0,0]=4 117 B13R1.380 O=CNc1ccccc1C=C(F)F 3556a8dc3a74ccd07ce636f81ac7cb8d [0,1,1,0,0,0|2,0,0]=4 118 B13R1.382 O=CNc1ccccc1C(=O)NO 99ae6c68024bc8640d811ad122d1cfb4 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.485 C/C=C/c1ccccc1OCC=O b2b8b2a49960dd6a7daedf86a5a8017f [0,1,1,0,0,0|1,0,0]=3 120 B13R1.485 C=CCOc1ccccc1/C=C/C 0388e547a24ffd1918d9c12d22279437 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.485 C=CCc1ccccc1OCC=O 14373b94c4b7c555a0647d7ee7ab9482 [0,1,1,0,0,0|1,0,1]=4 122 B13R1.40 Cc1cccc(c1O)NC(=O)C=O f91b70373d379d412ca0fac5741676ba [0,1,1,0,0,0|1,0,1]=4 123 B13R1.40 O=CC(=O)Nc1cccc(c1O)Br 4ce8e343258c2b7c76f3c29228c999b4 [0,1,1,0,0,0|1,0,1]=4 124 B13R1.40 O=CC(=O)Nc1cccc(c1O)Cl c2f246059bae4fe32a78d2bc54347514 [0,1,1,0,0,0|1,0,1]=4 125 B13R1.40 O=CC(=O)Nc1cccc(c1O)F a120f2d238fe2338f9908a7a264c61ed [0,1,1,0,0,0|1,0,1]=4 126 B13R1.40 O=CC(=O)Nc1cccc(c1O)I 9a5c7117bbb41d30cd47a080b3b30356 [0,1,1,0,0,0|1,0,1]=4 127 B13R1.40 O=CC(=O)Nc1cccc(c1O)O 84cc02e5a25fccca73a8145cb97fb5e7 [0,1,1,0,0,0|1,0,1]=4 128 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1ac12ee3c174ef750808d5edc13a2beb [0,1,1,0,0,0|2,0,0]=4 129 B13R1.91 C=CC(=O)Nc1ccccc1C=O 65d86af96122000defc423a660e8803f [0,1,1,0,0,0|2,0,0]=4 130 B13R1.91 C=Cc1ccccc1NC(=O)C=O b3ac91db34e65fc91e84e9e88eac0332 [0,1,1,0,0,0|1,0,1]=4 131 B13R1.91 C=Cc1ccccc1NC(=O)CO 2020884169c76c360969f1dcc2d335df [0,1,1,0,0,0|1,0,1]=4 132 B13R1.91 COc1ccccc1NC(=O)C=O 05c5da973e12ce184f9ddff8ed8a2096 [0,1,1,0,0,0|1,0,1]=4 133 B13R1.91 O=CC(=O)Nc1ccccc1C=O 0f4e468224165ad763b0a079aa0b05e7 [0,1,1,0,0,0|1,0,1]=4 134 B13R1.91 O=CC(=O)Nc1ccccc1CO edb2c054831df4f48a93bcb46c04ce2a [0,1,1,0,0,0|1,0,1]=4 135 B13R1.91 O=Cc1ccccc1NC(=O)CO 13697760a4b753718875d6dbb7f000ad [0,1,1,0,0,0|1,0,1]=4 136 B13R1.470 O=CCC(=O)Nc1ccccc1O 4a90307f6556ff65b31592394c4e7d74 [0,1,1,0,0,0|1,0,1]=4 137 B13R1.696 CN(C(=O)C=O)c1ccccc1O cf73309a320eff9a4f04c948ccbdeff8 [0,1,1,0,0,0|1,0,1]=4 138 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)C=O 98f85049d09fa8d0c778c71d12e60400 [0,1,1,0,0,0|1,0,1]=4 139 B13R1.2679 O=CC(=O)Nc1ccc(cc1O)Cl d72f7554e6c7de75160570748fc5ce53 [0,1,1,0,0,0|1,0,1]=4 140 B13R1.2679 O=CC(=O)Nc1ccc(cc1O)F 934b97e7c92fe108de96d0ba2405fd1d [0,1,1,0,0,0|1,0,1]=4 141 B13R1.2679 O=CC(=O)Nc1ccc(cc1O)I cddd2df16edae984328ea9b554c64bae [0,1,1,0,0,0|1,0,1]=4 142 B13R1.2679 O=CC(=O)Nc1ccc(cc1O)O 3279fe95f4cf6b96cc18489e8a4f6ff1 [0,1,1,0,0,0|1,0,1]=4 143 B13R1.2872 Cc1ccc(c(c1)NC(=O)C=O)O a7169293a5d2560c30d5b26c9cdc7762 [0,1,1,0,0,0|1,0,1]=4 144 B13R1.2872 O=CC(=O)Nc1cc(ccc1O)F c26be9d00c3bb310283fed7aec59c067 [0,1,1,0,0,0|1,0,1]=4 145 B13R1.2872 O=CC(=O)Nc1cc(ccc1O)O 27dba75f92a9090a60745948b385d5d9 [0,1,1,0,0,0|1,0,1]=4 146 B13R1.4928 Cc1cccc(c1NC(=O)C=O)O 92612e70b070654972a381e682ae30fb [0,1,1,0,0,0|1,0,1]=4 147 B13R1.4928 O=CC(=O)Nc1c(cccc1Br)O ebeb8322cee5ba2a8790e5e2b844e8ad [0,1,1,0,0,0|1,0,1]=4 148 B13R1.4928 O=CC(=O)Nc1c(cccc1Cl)O 2b947ef3338a56a4f95796f04ce288dc [0,1,1,0,0,0|1,0,1]=4 149 B13R1.4928 O=CC(=O)Nc1c(cccc1F)O e94f125d170a104ff3525ff35924a9af [0,1,1,0,0,0|1,0,1]=4 150 B13R1.4928 O=CC(=O)Nc1c(cccc1I)O 4da145a686c3ec7732c4ca40aa1e966a [0,1,1,0,0,0|1,0,1]=4 151 B13R1.4928 O=CC(=O)Nc1c(cccc1O)O f487a7919ad42fa63eecbb5616a43c0b [0,1,1,0,0,0|1,0,1]=4 152 B15R2.888 CCNc1cc2ccccc2[nH]c1=O e6db4526c563bb1e2419a99dd1be818a [0,2,0,0,0,0|2,0,0]=4 153 B15R2.888 CCNc1cc2ccccc2oc1=O cc2324c594177b5d71d11b819671bce8 [0,2,0,0,0,0|1,0,0]=3 154 B15R2.888 CCOc1cc2ccccc2[nH]c1=O f14970800600b2f53fead46aab589904 [0,2,0,0,0,0|1,0,0]=3 155 B15R2.888 CCOc1cc2ccccc2cc1Br 18a03b3e156616559e275df2938ac2ec [0,2,0,0,0,0|2,0,0]=4 156 B15R2.888 CCOc1cc2ccccc2cc1C d2dcc981bc5ce14a8dc13ae5e2412245 [0,2,0,0,0,0|2,0,0]=4 157 B15R2.888 CCOc1cc2ccccc2cc1Cl 9c6ec32aff482cfc8cddb3568b8f3698 [0,2,0,0,0,0|2,0,0]=4 158 B15R2.888 CCOc1cc2ccccc2cc1F db138de6449f91de51a8efa70ccfa9e9 [0,2,0,0,0,0|2,0,0]=4 159 B15R2.888 CCOc1cc2ccccc2nc1C 85490243d2caafbb139368ff2e1096f0 [0,2,0,0,0,0|2,0,0]=4 160 B15R2.888 CCOc1cc2ccccc2nc1Cl 722b5060fc7b86a61ca3355d014cec7b [0,2,0,0,0,0|2,0,0]=4 161 B15R2.888 CCOc1cc2ccccc2oc1=O 66a4520445cf81328be0f83f53fbf376 [0,2,0,0,0,0|0,0,0]=2 162 B15R2.888 Cc1cc2ccccc2cc1OCF f6f818490f5b9bcb1847b0fd3b95506e [0,2,0,0,0,0|2,0,0]=4 163 B15R2.888 Cc1cc2ccccc2nc1NC=O 9ce9c09b215916b3057181121c37eb74 [0,2,0,0,0,0|2,0,0]=4 164 B15R2.888 Cc1nc2ccccc2cc1NCO 0d39c0ea4307c780881005d5f33ebb43 [0,2,0,0,0,0|2,0,0]=4 165 B15R2.888 Cc1nc2ccccc2cc1OCF ba977bfe5cf6caf09f0b5e11a6134866 [0,2,0,0,0,0|2,0,0]=4 166 B15R2.888 FCOc1cc2ccccc2cc1Br 40ff3715c891022f02eae1928f8633e2 [0,2,0,0,0,0|2,0,0]=4 167 B15R2.888 FCOc1cc2ccccc2cc1Cl 79da8918c110f39c64426af44c9339a9 [0,2,0,0,0,0|2,0,0]=4 168 B15R2.888 FCOc1cc2ccccc2cc1F 403166fa61e4021119a15d06e5b632c2 [0,2,0,0,0,0|2,0,0]=4 169 B15R2.888 FCOc1cc2ccccc2nc1Cl 56a6a16bd3f9420f0d619632f92ee87d [0,2,0,0,0,0|2,0,0]=4 170 B15R2.888 N#CNc1nc2ccccc2oc1=O 0fc81044d68adcc2b7bf53aa342adff3 [0,2,0,0,0,0|2,0,0]=4 171 B15R2.888 O=CNc1cc2ccccc2cc1Br 5dc3b15142d834ab904c15387ad054c2 [0,2,0,0,0,0|2,0,0]=4 172 B15R2.888 O=CNc1cc2ccccc2cc1Cl 6d705b13dd6e6acde29371c046ead4dd [0,2,0,0,0,0|2,0,0]=4 173 B15R2.888 O=CNc1cc2ccccc2cc1F a2e4e653616ed297bde7a008be5b0d87 [0,2,0,0,0,0|2,0,0]=4 174 B15R2.888 O=CNc1cc2ccccc2cc1I f82d0d5d10d612d15cc0f3d0523b7269 [0,2,0,0,0,0|2,0,0]=4 175 B15R2.888 O=CNc1cc2ccccc2cc1O 9061e97f416ba179f52288f1546f8900 [0,2,0,0,0,0|1,0,0]=3 176 B15R2.888 O=CNc1cc2ccccc2oc1=O 7606d0189b675218ac090c4f1c4a6298 [0,2,0,0,0,0|0,0,1]=3 177 B15R2.888 O=CNc1nc2ccccc2cc1Br 776be102d79dbe265453ecc110a4ab5a [0,2,0,0,0,0|2,0,0]=4 178 B15R2.888 O=CNc1nc2ccccc2nc1O 5c44ce41ac54dc57f371958100edc442 [0,2,0,0,0,0|2,0,0]=4 179 B15R2.888 O=c1[nH]c2ccccc2cc1NCF 38c5fd561789cf7b5d4cf94c9bd1ca72 [0,2,0,0,0,0|2,0,0]=4 180 B15R2.888 O=c1[nH]c2ccccc2cc1NCO c1a1c8b9579c42cbfc3003473f11dadf [0,2,0,0,0,0|1,0,0]=3 181 B15R2.888 O=c1[nH]c2ccccc2cc1OCF 60b55620bf7cb05f6d352b425379fde0 [0,2,0,0,0,0|1,0,0]=3 182 B15R2.888 O=c1oc2ccccc2cc1NCF 33c22e8a0779e43a372b049abc173676 [0,2,0,0,0,0|1,0,0]=3 183 B15R2.888 O=c1oc2ccccc2cc1NCO 85294def1843979fce5fc9a4c925dfc1 [0,2,0,0,0,0|0,0,0]=2 184 B15R2.888 O=c1oc2ccccc2cc1OCF 92bfc273c837f53341d649f5183f23e5 [0,2,0,0,0,0|0,0,0]=2 185 B15R2.888 OCNc1cc2ccccc2cc1Br 3c26ded3deaf63c47fe48569fd656afa [0,2,0,0,0,0|2,0,0]=4 186 B15R2.888 OCNc1cc2ccccc2cc1Cl 414729c145d55f624812843b09939be6 [0,2,0,0,0,0|2,0,0]=4 187 B15R2.888 OCNc1cc2ccccc2cc1F 434e24b41b68e16501b13c7875d41878 [0,2,0,0,0,0|2,0,0]=4 188 B15R2.888 OCNc1cc2ccccc2cc1I 56240e3696d5d45dbc9a8ce127833581 [0,2,0,0,0,0|2,0,0]=4 189 B15R2.888 OCNc1cc2ccccc2nc1Cl fadc9c62a7582a70b8a54ba148dbe67c [0,2,0,0,0,0|2,0,0]=4 190 B13R2.292 CCOc1cccc2c1cco2 a27861a643f7e3e8fb92997723b9d43f [0,0,1,1,0,0|1,0,1]=4 191 B13R2.292 FCOc1cccc2c1cco2 15e5b612db445b1b90287fbfdfdd63ea [0,0,1,1,0,0|1,0,1]=4 192 B13R2.292 O=CNc1cccc2c1cco2 c68f5cb8bf677e3fa82c8ccd8995468f [0,0,1,1,0,0|1,0,0]=3 193 B13R2.292 O=CNc1cccc2c1ccs2 5e5c42e551ac5de7820a63a514e1969f [0,0,1,1,0,0|1,1,0]=4 194 B13R2.292 O=CNc1cccc2c1cno2 0c8d4b93db10037bb887304d1b6089b7 [0,0,1,1,0,0|2,0,0]=4 195 B13R2.292 O=CNc1cccc2c1nco2 2b3fa2395effdc8cc5afb2b348493aab [0,0,1,1,0,0|2,0,0]=4 196 B13R2.292 O=CNc1nccc2c1cco2 54b5ac575debcd30fc58ae87d68282db [0,0,1,1,0,0|2,0,0]=4 197 B11R1.222 CN(C=O)c1ccccc1O 4c3e44ceba918ddfd6ff42ad51415b5c [0,0,1,0,1,0|2,0,0]=4 198 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 362958306f8cd6df45a1ee1c05f0eb6d [0,0,1,0,0,1|2,0,0]=4 199 B13R1.351 C=C(C)C(=O)NCc1ccccc1 b8731b63880bf5bfc0bcc9801eda0e33 [0,0,1,0,0,1|2,0,0]=4 200 B13R1.351 C=C(CNc1ccccc1)C(=O)O 458944dd369b8353aa940eac91bcaa77 [0,0,1,0,0,1|1,0,1]=4 201 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 e27b26ae8f47b7b3a12892b36feed08a [0,0,1,0,0,1|2,0,0]=4 202 B13R1.351 C=C(F)C(=O)NCc1ccccc1 fa9d26934338a9ac877733735088c907 [0,0,1,0,0,1|2,0,0]=4 203 B13R1.351 O=C(O)C(=O)CNc1ccccc1 307d1c795e5d7ce2b611e1a0dc85c4e3 [0,0,1,0,0,1|0,0,2]=4 204 B13R1.351 O=C(O)C(=O)COc1ccccn1 fe706712eeac178372b5f4e65af7e714 [0,0,1,0,0,1|2,0,0]=4 205 B13R1.351 O=C(O)C(=O)COc1cccnc1 ca434d32f4ceaf175a41bfb99b1c5bcd [0,0,1,0,0,1|2,0,0]=4 206 B13R1.351 O=C(O)C(=O)COc1ccncc1 bf258993d15018866e425fad65d6f14c [0,0,1,0,0,1|2,0,0]=4 207 B13R1.351 O=C(O)C(O)CNc1ccccc1 3e4168511e9c7aaf40d08f5e06adedd3 [0,0,1,0,0,1|0,0,2]=4 208 B13R1.351 O=C(O)C(O)NCc1ccccc1 43b8cd7e96453db0d2da2c5835fc2ccd [0,0,1,0,0,1|0,0,2]=4 209 B13R1.351 O=C(O)[C@@H](O)CNc1ccccc1 24f51ede5fdb072f9d3fad34199262d8 [0,0,1,0,0,1|0,0,2]=4 210 B13R1.351 O=C(O)[C@H](O)CNc1ccccc1 b725ac000d3e2daed7b457fc1d05a474 [0,0,1,0,0,1|0,0,2]=4 211 B13R1.528 O=CC(=O)NCc1ccccc1O 70f462caf3ea2a22de0305191f3c4ea9 [0,0,1,0,0,1|0,0,2]=4