0 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,0,1,0,0,0|0,1,2]=4 1 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,0,1,0,0,0|2,0,1]=4 2 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,0,1,0,0,0|2,0,1]=4 3 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,0,1,0,0,0|2,0,1]=4 4 B10R1.54 CC(=O)Nc1cc(ns1)C 96474550c57b1d954359d70f2efca929 [0,0,0,0,0,1|3,0,0]=4 5 B10R1.54 CC(=O)Nc1cc(on1)C 20c11f2d1c6dfd367f1bca0ab6315fe5 [0,0,0,0,0,1|2,1,0]=4 6 B10R1.54 CC(=O)Nc1cnc(o1)C abc73c25d4867826ef3bfc13f8c7316c [0,0,0,0,0,1|3,0,0]=4 7 B10R1.54 CC(=O)Nc1cnc(s1)C f0db43659dd3987c1ef02f00c56b566f [0,0,0,0,0,1|3,0,0]=4 8 B10R1.54 CC(=O)Nc1cnn(c1)C 3a818a01b790338dbce8b13fcc6d0a00 [0,0,0,0,0,1|3,0,0]=4 9 B9R1.7 Cc1cc(no1)NC=O bf631c79ac525df2584360d647175e83 [1,1,0,0,0,0|1,1,0]=4 10 B9R1.7 Cc1cc(on1)NC=O d4b400827f85b5f4b64cbe4ce8aa9608 [1,1,0,0,0,0|2,0,0]=4 11 B9R1.7 Cc1cc(sn1)NC=O f66e70d9d313733e3bf0f6207334f5a1 [1,1,0,0,0,0|2,0,0]=4 12 B9R1.7 Cc1ccc(s1)NC=O 745d01ed2a45b7ddb9d308ef71450e7f [1,1,0,0,0,0|2,0,0]=4 13 B9R1.7 Cc1ncc(o1)NC=O 594291c6d8efef3a72f3614adbbcb38d [1,1,0,0,0,0|2,0,0]=4 14 B9R1.7 Cc1ncc(s1)NC=O 2a6ba0f633322aad4e3b1e001a194cf3 [1,1,0,0,0,0|2,0,0]=4 15 B9R1.7 Cn1cc(cn1)NC=O 2f4badbd11cb60f12dda13181c63dfab [1,1,0,0,0,0|2,0,0]=4 16 B9R1.11 CN(C=O)c1ccsc1 8f15e9acca9aeb51f07a52c03adb4c19 [1,1,0,0,0,0|2,0,0]=4 17 B9R1.11 CN(CO)c1ccsc1 0525eea34431aa8545e48856315746d1 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.39 Cc1cc(no1)NC(=O)CO 0ae6a7926b1350355132eb9a6edb55ec [0,1,0,0,0,1|1,1,0]=4 19 B11R1.39 Cc1ncc(o1)NC(=O)CO a89f7dd4b4279591414d0b993a869ddd [0,1,0,0,0,1|2,0,0]=4 20 B11R1.39 Cc1ncc(s1)NC(=O)CO 4bc64267d375bbd3a3ad8ea3ee9a1c67 [0,1,0,0,0,1|2,0,0]=4 21 B11R1.43 CC(=O)Nc1csc(c1)C#N af64e2e117108c3368656e7853efd266 [0,1,0,0,0,1|1,0,1]=4 22 B11R1.15 CCOC(C)c1csc(c1)C cd3aaf72cc7f0a6adbca4911dd6f906c [0,2,0,0,0,0|1,0,1]=4 23 B11R1.15 Cc1cc(co1)C(=O)NC#N 1b86839de692424b44b3df92e099c2e2 [0,2,0,0,0,0|1,1,0]=4 24 B11R1.15 Cc1cc(cs1)C(=O)NC#N 39cb4e327f6c8de76d8ae1327ff8d16d [0,2,0,0,0,0|1,0,0]=3 25 B11R1.15 Cc1cc(cs1)C(C)OCF 876c1104816ed732798e397688e3bfb8 [0,2,0,0,0,0|1,0,1]=4 26 B11R1.15 Cc1cc(ns1)C(=O)NC#N f729d82f8cf5110ab82ceb2bd37d19ce [0,2,0,0,0,0|2,0,0]=4 27 B11R1.15 Cc1nc(cs1)C(=O)NC#N 1d0701598a803e8bc6d80ce765b55101 [0,2,0,0,0,0|2,0,0]=4 28 B11R1.15 N#CNC(=O)c1csc(c1)Cl e8c2f84f2fd4d67253af8fc81f714422 [0,2,0,0,0,0|2,0,0]=4 29 B11R1.15 N#CNC(=O)c1csc(c1)I 8179a92e57d793dbad7ddc12e9f14655 [0,2,0,0,0,0|2,0,0]=4 30 B11R1.124 CC(=O)c1csc(c1)NC#N 83405247956a5af94ea70f374e49447c [0,2,0,0,0,0|1,0,1]=4 31 B11R1.124 CC(=O)c1csc(n1)NCF 165f0a8aafdda969d07193a362000960 [0,2,0,0,0,0|2,0,0]=4 32 B11R1.124 CC(=O)c1csc(n1)NCO 944629bed143d1f81a5e9bb0d5d46d56 [0,2,0,0,0,0|2,0,0]=4 33 B11R1.124 CCNc1c[nH]c(c1)C(=O)O dccfae20b3cc76cce5c611da31db3fc8 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.124 CCNc1cc([nH]n1)C(=O)O f2373c1b32c8d923bffbe5c6b7b52572 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.124 CCNc1ccc([nH]1)C(=O)O 55f95bc72ed8cf0b7c8cfe58e1f7692e [0,2,0,0,0,0|2,0,0]=4 36 B11R1.124 CCNc1csc(c1)C(=O)O 02903236ea637b7925550221dd745eb6 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.124 CCNc1nc(c[nH]1)C(=O)O a99b080fceb1371479290694e6f00ec9 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.124 CCNc1nc(co1)C(=O)O d074c0909003e8f1d265499aced77a62 [0,2,0,0,0,0|1,1,0]=4 39 B11R1.124 CCNc1nc(cs1)C(=O)C f3a706503561a9c677ffafcfebf5ed54 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.124 CCNc1nc(cs1)C(=O)N eb55d06ff0eeee85e2b80da059855862 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.124 CCNc1nc(cs1)C(=O)O 8ba33e59f95bd9453c3df76f69edde5a [0,2,0,0,0,0|1,0,0]=3 42 B11R1.124 CCNc1ncc(o1)C(=O)O fcd03442dc85ed384b694e28dc501980 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.124 CCNc1ncc(s1)C(=O)O d52de7c16f2915ec3487f249582a6c96 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.124 CCOc1cc(on1)C(=O)O 8f61c5d148e0409aee74310c0729e9e0 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.124 CCOc1csc(c1)C(=O)O c38a195fe4cc00447bb8290004c881a8 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.124 CCOc1nc(c[nH]1)C(=O)O 79a7724073222cd0aa3a91e55fa82f5e [0,2,0,0,0,0|2,0,0]=4 47 B11R1.124 CCOc1ncc(o1)C(=O)O 3b695c78673ca00bf7de5dcf5207985c [0,2,0,0,0,0|2,0,0]=4 48 B11R1.124 NC(=O)c1csc(n1)NCF c686b95f1d93d7003f8e7b1796b31284 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.124 NC(=O)c1csc(n1)NCO b3f26594b7030e9383e308e73ebdb16a [0,2,0,0,0,0|2,0,0]=4 50 B11R1.124 O=C(O)c1c[nH]c(n1)NCF 2de1e9f172668a354b6321e4140de535 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.124 O=C(O)c1c[nH]c(n1)NCO 4acf5ca35ec4c5206087656fddd0125d [0,2,0,0,0,0|2,0,0]=4 52 B11R1.124 O=C(O)c1c[nH]c(n1)OCF 7436bc3857eb6523f37b4c0627b86d56 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.124 O=C(O)c1cc(c[nH]1)NCF fe113b671133802a0380563834c5431f [0,2,0,0,0,0|2,0,0]=4 54 B11R1.124 O=C(O)c1cc(c[nH]1)NCO 341b8ac1125f3f15bbde278492067a47 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.124 O=C(O)c1cc(cs1)NCF 4d6f80dcb4987ceb0717a266bc65ec90 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.124 O=C(O)c1cc(cs1)NCO 1ab22627027c840a46e7f847ef7cbf24 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.124 O=C(O)c1cc(cs1)OCF 66c1610ad851c25db8d7e73392562ff8 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.124 O=C(O)c1cc(n[nH]1)NCF 8033ef0be7df39f220b534b4cdf420d6 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.124 O=C(O)c1cc(n[nH]1)NCO 360623a0a77993ca5d049da2b8c7d489 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.124 O=C(O)c1cc(no1)OCF 9acbcaa3e8a72a27de6e5a35990c82a3 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.124 O=C(O)c1ccc([nH]1)NCF 2abd77650feae958a898ee1db3c214ce [0,2,0,0,0,0|2,0,0]=4 62 B11R1.124 O=C(O)c1ccc([nH]1)NCO 1db329be575638887febdf86863cb671 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.124 O=C(O)c1cnc(o1)NCF e2141d20f46d39203cac08a09d3955d8 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.124 O=C(O)c1cnc(o1)NCO 0aa5dd84bb5ec507cbb390a8941c98f6 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.124 O=C(O)c1cnc(o1)OCF 87a1c091ed169df1e6212495f2b2cecc [0,2,0,0,0,0|2,0,0]=4 66 B11R1.124 O=C(O)c1cnc(s1)NCF bcd2f6a4eacb13b3936a3418aa7bfa74 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.124 O=C(O)c1cnc(s1)NCO a68b71a361d2e8e820889f5d8e2bb69c [0,2,0,0,0,0|2,0,0]=4 68 B11R1.124 O=C(O)c1coc(n1)NCF a1232bd12d01933fc3476f1cc80ff369 [0,2,0,0,0,0|1,1,0]=4 69 B11R1.124 O=C(O)c1coc(n1)NCO 0779fb228d9a6b5cd73b1e7eeb48f0d9 [0,2,0,0,0,0|1,1,0]=4 70 B11R1.124 O=C(O)c1csc(n1)NCF 4ba414bbf60b4bc64c2b46dc610da833 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.124 O=C(O)c1csc(n1)NCO 37a2d446c58853dc59ca975e349939cb [0,2,0,0,0,0|1,0,0]=3 72 B9R1.13 CC(=O)Nc1ccsc1 b43c291cb5d72b5ddddbae12e8c0d0d9 [1,0,0,0,0,1|1,0,0]=3 73 B9R1.13 CC(=O)Nc1cnsc1 8b2781f9f5cf5ee989ebb6568d34bd93 [1,0,0,0,0,1|2,0,0]=4 74 B9R1.13 CC(=O)Nc1cscn1 40e369b2af88cefbcc061c4b162a2ec0 [1,0,0,0,0,1|2,0,0]=4 75 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,0,0,0,0,2|2,0,0]=4 76 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [0,0,0,0,0,2|2,0,0]=4 77 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,0,0,0,0,2|2,0,0]=4 78 B11R1.20 CC(=O)Nc1cnc(cn1)C 9e5149615a867d36276f957f71175a41 [0,0,0,0,0,2|2,0,0]=4 79 B11R1.75 CC(=O)NCc1csc(c1)Br 25d212c98737f32c95cd9f989e3c66f1 [0,0,0,0,0,2|2,0,0]=4 80 B11R1.75 CC(=O)NCc1csc(c1)Cl 4e85ec7c6bd728ce7a81f9aeeb6b5ce6 [0,0,0,0,0,2|2,0,0]=4 81 B11R1.75 CC(=O)NCc1csc(n1)C c8f56a84ab8a5c807766e5951d1f100b [0,0,0,0,0,2|2,0,0]=4 82 B11R1.75 Cc1cc(n[nH]1)NCC(=O)O 647674fae4df6a4aa2030b18d9431480 [0,0,0,0,0,2|2,0,0]=4 83 B11R1.75 Cc1cc(no1)NCC(=O)O b76112efb5768c95af84e4b3d8000d5b [0,0,0,0,0,2|1,1,0]=4 84 B11R1.75 Cc1cc(on1)NCC(=O)O 544b8a203c7d982f5390e3b46f97c847 [0,0,0,0,0,2|2,0,0]=4 85 B11R1.75 Cc1cc(sn1)NCC(=O)O 1d1604ccaed6bf320aba3ab1ef6aa082 [0,0,0,0,0,2|2,0,0]=4 86 B11R1.75 Cc1ccc(s1)NCC(=O)O 22e0aa6e8a63bef06bc74935a6d64ad6 [0,0,0,0,0,2|2,0,0]=4 87 B11R1.75 Cc1csc(c1)OCC(=O)O 38313bf3c28e10780f6f999b20f79b08 [0,0,0,0,0,2|2,0,0]=4 88 B11R1.75 Cc1nc(cs1)NCC(=O)N 99a22504184e56ce78d3376c3277c318 [0,0,0,0,0,2|2,0,0]=4 89 B11R1.75 Cc1nc(ns1)NCC(=O)O 56ba11d859b9504f267f24cea39b77e7 [0,0,0,0,0,2|2,0,0]=4 90 B11R1.75 Cc1ncc(o1)NCC(=O)O 1bb34fb248c6b88fa831a709082f154b [0,0,0,0,0,2|2,0,0]=4 91 B11R1.75 Cc1ncc(s1)NCC(=O)O 2826180d608035aa91fa4c4a4bc18023 [0,0,0,0,0,2|2,0,0]=4 92 B11R1.75 Cn1cc(cn1)NCC(=O)O 747ce00713fb769806475b467006bd65 [0,0,0,0,0,2|2,0,0]=4 93 B11R1.75 Cn1cc(cn1)OCC(=O)O 0c3312b1856d1505806aa5fb78984a2e [0,0,0,0,0,2|2,0,0]=4 94 B11R1.75 O=C(O)CNc1cc(sn1)Br 5e8bb525173e3c63108921f5fca079ea [0,0,0,0,0,2|2,0,0]=4 95 B11R1.75 O=C(O)CNc1csc(n1)Br 078608182e6976c303c8fc5f67e1a94c [0,0,0,0,0,2|2,0,0]=4 96 B11R1.75 O=C(O)COc1cc(sn1)Cl d54f6e1e73737ee89d71b9e88ddb390b [0,0,0,0,0,2|2,0,0]=4 97 B11R1.157 CC(=O)Nc1cc(ccn1)C 11bb75cefcc8e0053d4aa87066be916d [0,0,0,0,0,2|2,0,0]=4 98 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [0,0,0,0,0,2|2,0,0]=4 99 B11R1.157 CC(=O)Nc1ccnc(c1)C 1f0a21b873e7ca6abbe56d850131c0d5 [0,0,0,0,0,2|2,0,0]=4 100 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [0,0,0,0,0,2|2,0,0]=4