0 B9R1.11 CCC(=O)N1CC=CC1 8fcb7348add64c7e1ee81d8cebba28fe [0,0,0,0,0,0|3,0,0]=3 1 B9R1.11 CCN(C)c1cc[nH]n1 749ccf1c4175e9714bd2edef8b8b302c [0,0,0,0,0,0|4,0,0]=4 2 B9R1.11 CCN(C)c1ccns1 a19f7fc213bd5bd88b24d5f68e4afa8f [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CCN(C)c1ccon1 2ce8321b2704db34980c07b5e78f5b31 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.11 CCN(C)c1ncc[nH]1 6558320edd02b7a06d6c6cd1d7a09bd3 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.11 CCN(C)c1nccs1 f916cd2d893b9e379f0396f320d15301 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.11 CCN(C)c1nnc[nH]1 6beaa6f3a63506e1304bf85a0a674d84 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.11 CN(C=O)c1nccs1 c41a5a41dc66ecd9157809060ed84b66 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.11 CN(CF)c1ncc[nH]1 406e43255e3e684ca4ca47551698d6f6 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.11 CN(CF)c1ncco1 823774d97deecae4fd019470ce27d19e [0,0,0,0,0,0|3,1,0]=4 11 B9R1.11 CN(CF)c1nccs1 88ac077277607f8ef99c0154b3ada1f5 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.11 CN(CO)c1ncc[nH]1 5b9ac24689e7303c8aad21e68276de2a [0,0,0,0,0,0|4,0,0]=4 13 B9R1.11 CN(CO)c1ncco1 2ce190e8c8743a2489629a4f881c5274 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.11 CN(CO)c1nccs1 5f91fe7a84bd2d4a63897b7ffb7eafb1 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.11 CN(CO)c1nncs1 dd28a6a977dbeeff048a33a30357358a [0,0,0,0,0,0|4,0,0]=4 16 B9R1.11 O=C(CF)N1CC=CC1 3cc17bffd400c6c4b32eef881a52b1b0 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.11 O=C(CO)N1CC=CC1 1273ade47c8439e3864480831b12c15d [0,0,0,0,0,0|4,0,0]=4 18 B9R1.11 O=C(CS)N1CC=CC1 f92f9b840f52a52e8ddfa974a6fad3a6 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 CCNc1cc[nH]n1 1ec90843b0b722deac22a6d0b9230c30 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.8 CCNc1nc[nH]n1 6c33cf0453e6970bb8515d4d5c9f131d [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 CCNc1ncc[nH]1 9c694d8670fe0b12710364903a725787 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [1,0,0,0,0,0|1,1,0]=3 30 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.8 CCNc1ncns1 ab33a2006b8e5863d02c2139c1f6b340 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.8 CCNc1ncon1 524638985275766252aef6ad03cd5d35 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 CCNc1ncsn1 318e8deb29021b861a2fd7f495e20e04 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.8 CCNc1nnco1 61cc1282bfb2a7c0677bca5ed48ec5a9 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.8 CCNc1nncs1 f4238bbf01e2da8c7cb3260825740713 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.8 CCNc1nnns1 4fdda9301029af1c610b47a36b7ab9fd [1,0,0,0,0,0|3,0,0]=4 37 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,0,0,0,0,0|2,1,0]=4 39 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,0,0,0,0,0|2,0,0]=3 40 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [1,0,0,0,0,0|1,0,0]=2 41 B8R1.8 CCOc1nncs1 e127a60b711c378b5df75f4dfb79580f [1,0,0,0,0,0|2,0,0]=3 42 B8R1.8 CCOn1cccn1 770cadc5246353a2a295ab96e14141ca [1,0,0,0,0,0|3,0,0]=4 43 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [1,0,0,0,0,0|3,0,0]=4 44 B8R1.8 FCNc1ncc[nH]1 7e1136910a31ae6119771fbba5022125 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.8 FCNc1ncco1 f2516fdad5ce6b05dd015414dcc1a357 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.8 FCNc1nccs1 41c06b597219efba0da515febf1d22d0 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.8 FCNc1ncns1 6f0a3ca912117aca73aac8f6d30c0149 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.8 FCNc1nncs1 ca86f341beb4089a98cfd64168dab1e9 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [1,0,0,0,0,0|3,0,0]=4 50 B8R1.8 FCOc1nccs1 52842efe331bbe4c67721511b2fb7550 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.8 FCOc1nncs1 077267ee662842c6b6a5be59731196b4 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.8 O=CNc1nccs1 390a57e714801d3a9ba2a25dd47bacc9 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.8 OCNc1ncc[nH]1 8779228d9622538cac84c5b84482a9b7 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.8 OCNc1ncco1 15920413347c3c350d4387dc3a094208 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.8 OCNc1nccs1 45a5a57bb5cb8d2f68397bed9047efc5 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.8 OCNc1ncns1 b231840248e86b995fbc178e94ae85e1 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.8 OCNc1nncs1 75e77ace8df5a3eeb9f190bacbdc90d6 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.9 CCN(C=O)c1nccs1 6ec5f9906364bbdda8117095352cb157 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.9 CCN(CC)c1nccs1 7df2f734f0ca981a5851b4e31be24651 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.9 CCN(CF)c1nccs1 2140bd574e7d62ca865338fd64e2e96c [0,1,0,0,0,0|2,0,0]=3 62 B10R1.9 CCN(CO)c1nccs1 a4cbcedec13750fd5ea4394ad07331cb [0,1,0,0,0,0|1,0,1]=3 63 B10R1.11 C#CCN(C)c1nccs1 ac0a85cf6aca2fa8336a2fc80bed7fc0 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.11 C=CCN(C)c1nccs1 14d987e5bcb79ca13ea7ba6b9d250c18 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.11 CC(NCF)c1nccs1 eb81e3965a86e879812184e22e27e731 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.11 CC(NCO)c1nccs1 c26e85a7ca23ae9a0c9ea5df624b4f91 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.11 CC(OCF)c1nccs1 bae636dd720452cf5c88c07ea183854e [0,1,0,0,0,0|2,0,1]=4 68 B10R1.11 CCCC(=O)N1CC=CC1 bb898560fa964db98f98cd376b86f0ce [0,1,0,0,0,0|3,0,0]=4 69 B10R1.11 CCCN(C)c1ncc[nH]1 e8c84813b2c4ad6337b4c1a2ba6be433 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.11 CCCN(C)c1ncco1 27c97316d262b6ffcd37b67051233e1e [0,1,0,0,0,0|2,1,0]=4 71 B10R1.11 CCCN(C)c1nccs1 8ff271e49b43b3c788542031f83d211b [0,1,0,0,0,0|2,0,0]=3 72 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,1,0,0,0,0|2,0,1]=4 73 B10R1.11 CCNC(C)c1ncco1 c4d00da9a44dea11f4b3af43c48c7394 [0,1,0,0,0,0|1,1,1]=4 74 B10R1.11 CCNC(C)c1nccs1 d0a43af227120fc5ff8aaefd51698545 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.11 CCN[C@@H](C)c1nccs1 3bb0895faeb677d909b68335fb31522e [0,1,0,0,0,0|1,0,1]=3 77 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,1,0,0,0,0|2,0,1]=4 78 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.11 CCOC(C)c1ncc[nH]1 70d6ebfb52cfa6bf86ec65f07b5f07d1 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.11 CCOC(C)c1ncco1 7cec3e492c517a86e7c86f971db66cb7 [0,1,0,0,0,0|1,1,1]=4 81 B10R1.11 CCOC(C)c1nccs1 5bbb1f36bb111613b1ba28d717d2e3cb [0,1,0,0,0,0|1,0,1]=3 82 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.11 CCO[C@@H](C)c1nccs1 8ff02fccb198c1e4467c7f0265d43dac [0,1,0,0,0,0|1,0,1]=3 84 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,1,0,0,0,0|2,0,1]=4 85 B10R1.11 CCO[C@H](C)c1nccs1 3d7039b5aa6539e92de371f39cde5a2c [0,1,0,0,0,0|1,0,1]=3 86 B10R1.11 CN(CC#N)c1nccs1 c6cf3dbf75ec925946648cd0037dc1d3 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.11 CN(CC=O)c1nccs1 1fe9f35417f4cf53e23d6593480e480d [0,1,0,0,0,0|2,0,1]=4 88 B10R1.11 CN(CCF)c1ncc[nH]1 f6b235c2a4a565a701bc328885acf898 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.11 CN(CCF)c1ncco1 f62dd8d1be9a698e2e8ac19b6c305a75 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.11 CN(CCF)c1nccs1 c99f5c48b394b58ec872b5c3b2611221 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.11 CN(CCO)c1ncc[nH]1 36f5b1c681f03a2e1a74aecaa3c1396c [0,1,0,0,0,0|3,0,0]=4 92 B10R1.11 CN(CCO)c1ncco1 8a1cfd74f3a8a3560a3a2657200adf4d [0,1,0,0,0,0|2,1,0]=4 93 B10R1.11 CN(CCO)c1nccs1 498c3e675f8cc6d4f0141ffa9a4ab5d6 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.11 CN(CCO)c1nncs1 37610bb8677ae5fded61f509f07ba860 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.11 CN(CCS)c1ncc[nH]1 dc825f27af287b1db6b3a1b891192827 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.11 CN(CCS)c1ncco1 141bb0b09527fb28922b6ad0ce997567 [0,1,0,0,0,0|2,1,0]=4 97 B10R1.11 CN(CCS)c1nccs1 2272134ae960ce2a19cb4a1e8972a1e8 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.11 CN(CCS)c1nncs1 7c892ba34825a1dd6f01bf4b6fd4fe9a [0,1,0,0,0,0|3,0,0]=4 99 B10R1.11 COCC(=O)N1CC=CC1 b11bedc9dadc4c82e42a4f7eff848e0d [0,1,0,0,0,0|3,0,0]=4 100 B10R1.11 COCN(C)c1ncc[nH]1 a737f4020d54d3df80a04f20a7b9034f [0,1,0,0,0,0|3,0,0]=4 101 B10R1.11 COCN(C)c1ncco1 fd4e73b073e55a294bac171ebf3cb532 [0,1,0,0,0,0|2,1,0]=4 102 B10R1.11 COCN(C)c1nccs1 c40927e4d133395764d6bc823039852b [0,1,0,0,0,0|2,0,0]=3 103 B10R1.11 COCN(C)c1nncs1 34594b72c2cea3fdf63f065b11ee4e33 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.11 CSCC(=O)N1CC=CC1 e0240e4b45b1caa7e6aaa192e212e868 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.11 CSCN(C)c1ncc[nH]1 b4b3e108f218a61917c27ebb678a61b6 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.11 CSCN(C)c1ncco1 35af9b657fe866d2fb676c6afebe416e [0,1,0,0,0,0|2,1,0]=4 107 B10R1.11 CSCN(C)c1nccs1 fa4438ba7576130f4979aa3efe2232b5 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.11 C[C@@H](OCF)c1nccs1 e6144d1e4fb9b809c4399029411e8f0b [0,1,0,0,0,0|2,0,1]=4 109 B10R1.11 C[C@H](NCF)c1nccs1 542fce15ece7e971a35e6deef2c9be34 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.11 C[C@H](NCO)c1nccs1 f87df5f8bf67cf2c27649b92a0408b51 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.11 C[C@H](OCF)c1nccs1 4d7c96418757aae0dc1e0fd59c404858 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,1,0,0,0,0|2,0,1]=4 113 B10R1.11 N#CNC(=O)c1ncco1 cad6eda580411d5fa5ee0424dceda23d [0,1,0,0,0,0|1,1,1]=4 114 B10R1.11 N#CNC(=O)c1nccs1 fc87a2f72cd1d5cb31dba5e0dcebb818 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.11 O=C(CCF)N1CC=CC1 853e2f7b038f6057656dc7bd73b26600 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.11 O=C(CCO)N1CC=CC1 45babc7bfc0207fe12404426c279dad1 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.11 O=C(CCS)N1CC=CC1 c1816f48ff5adcbdc7fa23ea8d7df47d [0,1,0,0,0,0|3,0,0]=4 118 B10R1.14 CCN(C)c1nc(ns1)C 45b391d81af2a22c84ee899d8fa707b1 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.14 CCN(C)c1ncc(s1)C 96ae259a4abeab0c72be243cf912fd46 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.14 CCN(C)c1nnc(s1)Br 3270d2e4a10a0c7ed5ac5ad2b2b1c7f8 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.14 CN(CF)c1ncc(s1)Br 275f05b056a8c55b3d1c882d2d77e231 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.14 Cc1cnc(s1)N(C)CF a8afb40a144876b13150eaf37e3925f7 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.14 Cc1cnc(s1)N(C)CO 51859c5658479dcb63c791c55c1b7dd8 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.14 Cc1csc(n1)N(C)CO a674fa1ccb74c6c4b3916ff24f3f40a0 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.23 CC(=O)N(C)c1nccs1 7aefce76e45e954968aec461666c7f6f [0,1,0,0,0,0|2,0,1]=4 126 B10R1.23 CC(C)N(C)c1ncc[nH]1 e996d76195205f3f8762c434c29d54b3 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.23 CC(C)N(C)c1ncco1 032eaac749afe91f9dd6a126785485bb [0,1,0,0,0,0|2,1,0]=4 128 B10R1.23 CC(C)N(C)c1nccs1 0da716d314b46282d1113d22534674ca [0,1,0,0,0,0|2,0,0]=3 129 B10R1.23 CC(F)C(=O)N1CC=CC1 55352446c6e725b080d61f2f19a26281 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.23 CC(O)C(=O)N1CC=CC1 10ced20e3e67ee560b049dfe3449f25f [0,1,0,0,0,0|3,0,0]=4 131 B10R1.23 CC(S)C(=O)N1CC=CC1 ed8fa6c172b9eab40fe6d47fe9bde9bf [0,1,0,0,0,0|3,0,0]=4 132 B10R1.23 C[C@@H](F)C(=O)N1CC=CC1 a639eb94aa747b371aedc52424f4bb0b [0,1,0,0,0,0|3,0,0]=4 133 B10R1.23 C[C@@H](O)C(=O)N1CC=CC1 e93a50818bb0d1fb504ccd508f23f492 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.23 C[C@H](F)C(=O)N1CC=CC1 81a7690f80ea1da5276e5408527ed3af [0,1,0,0,0,0|3,0,0]=4 135 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 fd5f82b7feeefbe4d870be1d17f5aea1 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.149 CCN(C)c1sccc1C 980430f2ff5e590baeb4fe4f062a4173 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.3 C=CCN(C)C(=O)CC 3bb2f9eb0189cead2c974a4fe74c9568 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,0,1,0,0,0|3,0,0]=4 139 B10R1.15 CCC(=O)N1CC=CCC1 99015132406e40ac51cac2ce1fb62c12 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,1|3,0,0]=4 141 B10R1.15 CCN(C)c1ccncn1 d3188d994a55f552daffb246c4de2ff9 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.15 CCN(C)c1ncccn1 2190b05b172124b2ca945163c4e222f5 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.15 CCN(C)c1nccnn1 1e7db70c44a1fbbd9523378dfbbdb889 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.27 C#CC(=O)Nc1cccs1 e9224cd9992603127a419174b2b0a0b5 [0,0,0,0,0,1|1,0,2]=4 146 B10R1.27 C#CC(=O)Nc1ncco1 d17bf78d42d3d2638cc091eea586c848 [0,0,0,0,0,1|0,1,2]=4 147 B10R1.27 C#CC(=O)Nc1nccs1 0bff3b7936a0f2ccc3db064cd5e97ce9 [0,0,0,0,0,1|0,0,2]=3 148 B10R1.27 C#CC(=O)Nc1ncns1 138632045c5da2f469b2cb778debbde0 [0,0,0,0,0,1|1,0,2]=4 149 B10R1.27 C#CC(=O)Nc1nncs1 3dedce63580f7d958515df69b5a5e650 [0,0,0,0,0,1|1,0,2]=4 150 B10R1.27 C=CC(=O)Nc1cccs1 e83235019fa42812523ea5fc4f181558 [0,0,0,0,0,1|1,0,2]=4 151 B10R1.27 C=CC(=O)Nc1ncco1 4191fc2a4b42231ce3f00b59c09c2a64 [0,0,0,0,0,1|0,1,2]=4 152 B10R1.27 C=CC(=O)Nc1nccs1 9cec41dcc4e0bcf868572337938e19b7 [0,0,0,0,0,1|0,0,2]=3 153 B10R1.27 C=CC(=O)Nc1ncns1 ce316a1315ecf53790ab0e4010b09cd2 [0,0,0,0,0,1|1,0,2]=4 154 B10R1.27 C=CC(=O)Nc1nncs1 421be1bc1812ed0b8a194624088ee3b1 [0,0,0,0,0,1|1,0,2]=4 155 B10R1.27 CC(CO)Nc1nccs1 3af8aa6c51a5e4ace65bcef7b413dad9 [0,0,0,0,0,1|2,0,1]=4 156 B10R1.27 CCC(=O)CN1CC=CC1 9addcf33c1e1f9beaf1d00793bafa8f6 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.27 CCC(=O)NC1CC=CC1 adec6ff9971cf21ad4bb29cba6524254 [0,0,0,0,0,1|2,0,1]=4 158 B10R1.27 CCC(=O)Nc1cccs1 f50607963147f2d3b2fa22a860c7bc5f [0,0,0,0,0,1|1,0,0]=2 159 B10R1.27 CCC(=O)Nc1ccno1 909054f307ef24dfb02c6467e90f9bc3 [0,0,0,0,0,1|2,1,0]=4 160 B10R1.27 CCC(=O)Nc1ccns1 983c39b369b340df6a8d008508181dc6 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.27 CCC(=O)Nc1ccsc1 5bf01967229999d777833bdfda9bef0a [0,0,0,0,0,1|3,0,0]=4 162 B10R1.27 CCC(=O)Nc1cncs1 0a9145704297d531c120b55f86e36565 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.27 CCC(=O)Nc1cnon1 babf9074d1b1094c0a69be4703f44bf0 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.27 CCC(=O)Nc1cocn1 2d93b0f05fe4aaf36cb636d800a92bf5 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.27 CCC(=O)Nc1cscn1 7ba07f893e3c146b5b2e23ed1c158919 [0,0,0,0,0,1|2,0,0]=3 166 B10R1.27 CCC(=O)Nc1ncco1 ee37f68e5f52d9668d0f9933ef28c6fc [0,0,0,0,0,1|0,1,0]=2 167 B10R1.27 CCC(=O)Nc1nccs1 fdccf754ab8887b68e7072ae126b79a6 [0,0,0,0,0,1|0,0,0]=1 168 B10R1.27 CCC(=O)Nc1ncns1 a3c1aec9246a2174d4a79b7cede592fe [0,0,0,0,0,1|1,0,0]=2 169 B10R1.27 CCC(=O)Nc1nncs1 eab91dcc24e496a063c09c00778c9e7a [0,0,0,0,0,1|1,0,0]=2 170 B10R1.27 CCC(=O)Nc1nnns1 6de4186f8094d8fe6dd5db03caaa2311 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.27 CCC(C)Nc1ncc[nH]1 955376107bc7153bb56fe54fc04de2cf [0,0,0,0,0,1|2,0,1]=4 172 B10R1.27 CCC(C)Nc1ncco1 dd1a41bdc7d3616e95ccaa3968dfc430 [0,0,0,0,0,1|1,1,1]=4 173 B10R1.27 CCC(C)Nc1nccs1 14d585ec4dbfab69000ae73fa3ea4f85 [0,0,0,0,0,1|1,0,1]=3 174 B10R1.27 CCC(C)Nc1ncns1 ecac1cd462519d997a1a792e0c9e249d [0,0,0,0,0,1|2,0,1]=4 175 B10R1.27 CCC(C)Nc1nncs1 610af03be4551c389d5b5c86209ca1a6 [0,0,0,0,0,1|2,0,1]=4 176 B10R1.27 CCC(C)Oc1cccs1 3541fcdf455861cca5d3a82e83b56fc2 [0,0,0,0,0,1|2,0,1]=4 177 B10R1.27 CCC(C)Oc1nccs1 552d81292af32750494a1fa49e5bd981 [0,0,0,0,0,1|1,0,1]=3 178 B10R1.27 CCC(C)Oc1nncs1 7ffdc529a5b5236e70aea4a9113ae405 [0,0,0,0,0,1|2,0,1]=4 179 B10R1.27 CCN(C)Cc1cccs1 5856368746510a7217772fc0f20fa2c2 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.27 CCN(C)Cc1ncc[nH]1 51576a26cf23285268fc6a43ae44df8c [0,0,0,0,0,1|3,0,0]=4 181 B10R1.27 CCN(C)Cc1ncco1 fbd451ad928ae1f8a9b5356432adeaee [0,0,0,0,0,1|2,1,0]=4 182 B10R1.27 CCN(C)Cc1nccs1 83da24133995872d4de5fd709f9e84fb [0,0,0,0,0,1|2,0,0]=3 183 B10R1.27 CC[C@@H](C)Nc1nccs1 bd90c5ea462b27161ef27a60e27ab6aa [0,0,0,0,0,1|1,0,1]=3 184 B10R1.27 CC[C@H](C)Nc1nccs1 438f0d8e3c7d2f6718abcfb5a0246117 [0,0,0,0,0,1|1,0,1]=3 185 B10R1.27 CN(CF)Cc1nccs1 76b81ecc461bfd98c8cd773e6baa9fa4 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.27 CN(CO)Cc1nccs1 d06950d5c93aa4efb61588c7e01d60dc [0,0,0,0,0,1|3,0,0]=4 187 B10R1.27 C[C@@H](CO)Nc1nccs1 0bcb7a0b35e1463326ec7c2359e6f1cc [0,0,0,0,0,1|2,0,1]=4 188 B10R1.27 C[C@H](CO)Nc1nccs1 50b88dc633b43e9b1ba1c862b8a07226 [0,0,0,0,0,1|2,0,1]=4 189 B10R1.27 O=C(CF)Nc1cccs1 c2532a8f207b54b42bbc7280d05616b2 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.27 O=C(CF)Nc1ccns1 75e15fa4560fa8835c009c203da5d8e3 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.27 O=C(CF)Nc1cncs1 dc006872675f0f128ae63cfbcdb8a454 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.27 O=C(CF)Nc1cocn1 a16f59e93cde147ab533dc28819b6d81 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.27 O=C(CF)Nc1cscn1 a215739c094e1f2b02ac0bf8b66acd9a [0,0,0,0,0,1|3,0,0]=4 194 B10R1.27 O=C(CF)Nc1ncco1 4fa3d00cec483ba2638be10f345a2395 [0,0,0,0,0,1|1,1,0]=3 195 B10R1.27 O=C(CF)Nc1nccs1 f4957295fbac2e3be4de2d3b24bdeb37 [0,0,0,0,0,1|1,0,0]=2 196 B10R1.27 O=C(CF)Nc1ncns1 214b25e956307d769d8c9e312fef125f [0,0,0,0,0,1|2,0,0]=3 197 B10R1.27 O=C(CF)Nc1nncs1 69160ffa126aa60d9f530b08382c3cd4 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.27 O=C(CF)Nc1nnns1 765b0c3bdf6cb2ee4ff27269215f08cc [0,0,0,0,0,1|3,0,0]=4 199 B10R1.27 O=C(CO)Nc1cccs1 c02ae0041af0a4556b6c8dc060e48c79 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.27 O=C(CO)Nc1ccns1 db5a0c8c2c21c92cac5302c74ae7b0a4 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.27 O=C(CO)Nc1cocn1 b8553395cb3e855ded3c09361c07be6a [0,0,0,0,0,1|3,0,0]=4 202 B10R1.27 O=C(CO)Nc1cscn1 f4efd7ec88f4e763e5248af5d0ca15cb [0,0,0,0,0,1|3,0,0]=4 203 B10R1.27 O=C(CO)Nc1ncco1 6050db231c4a585130c143babe839f4c [0,0,0,0,0,1|1,1,0]=3 204 B10R1.27 O=C(CO)Nc1nccs1 4ab8c7cb024d8e0de607a8771bb61f22 [0,0,0,0,0,1|1,0,0]=2 205 B10R1.27 O=C(CO)Nc1ncns1 0e49b0851926f75e98c7ccd62ff514e3 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.27 O=C(CS)Nc1cccs1 92618e90e5bf8c915c1cae56e1f47489 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.27 O=C(CS)Nc1ccns1 c0d5a3f0a8977374347178aa39e76014 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.27 O=C(CS)Nc1cocn1 856019594de1955fc2c981ac293446ca [0,0,0,0,0,1|3,0,0]=4 209 B10R1.27 O=C(CS)Nc1cscn1 9ecabead17ce93aad03c2fd2eb2663de [0,0,0,0,0,1|3,0,0]=4 210 B10R1.27 O=C(CS)Nc1nccs1 5645898068526a559772b933394d1e55 [0,0,0,0,0,1|1,0,0]=2 211 B10R1.27 O=C(CS)Nc1ncns1 3dbb0f46516b71e878a6e33e91d7fbad [0,0,0,0,0,1|2,0,0]=3 212 B10R1.27 O=CC(=O)Nc1cccs1 131968a6bb1c313ed1c4ad145b0c87f0 [0,0,0,0,0,1|2,0,1]=4 213 B10R1.27 O=CC(=O)Nc1ncco1 3f5cc1048dbccb945effc7f56e2ac024 [0,0,0,0,0,1|1,1,1]=4 214 B10R1.27 O=CC(=O)Nc1nccs1 8a7aa34b67f238e59939d528c315063a [0,0,0,0,0,1|1,0,1]=3 215 B10R1.27 O=CC(=O)Nc1ncns1 091f73224771f95d10d2af81a28f1d0e [0,0,0,0,0,1|2,0,1]=4 216 B10R1.27 O=CC(=O)Nc1nncs1 348e6b036a142a2baa571b9d52ce7065 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [1,1,0,0,0,0|2,0,0]=4 218 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.7 CCNc1nc(=S)ss1 a51d3a730d55d0ecca8dd3b7e227e5c8 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.7 CCNc1nc(c[nH]1)Br 93123e4cf86e8caabda7db8ce2d7ed62 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.7 CCNc1nc(co1)Br cde866043d3b4c3b5137ab3d11a6d624 [1,1,0,0,0,0|1,1,0]=4 222 B9R1.7 CCNc1nc(co1)C b26a52f95975447075cfb8a89ed6d926 [1,1,0,0,0,0|1,1,0]=4 223 B9R1.7 CCNc1nc(cs1)Br 4627c7d3c58ac240235fbe7efb6a3335 [1,1,0,0,0,0|1,0,0]=3 224 B9R1.7 CCNc1nc(cs1)C d6f1a2a4dfbfdca53a2398d3f561dee6 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.7 CCNc1nc(cs1)Cl 1618edd22041ddf94ac231dee45a78c7 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.7 CCNc1nc(ns1)Br 0c53b592731aac41267d75efc16a4525 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.7 CCNc1nc(ns1)C 2bae9c468ba3daae8385f5ed6a79771f [1,1,0,0,0,0|2,0,0]=4 228 B9R1.7 CCNc1nc(ns1)Cl 1fd33567f45d9962eaca6b92dafb0e76 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.7 CCNc1ncc([nH]1)C 5ac775ce6f9d77e92c163881f0d757c2 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.7 CCNc1ncc(o1)C b4b13cff670e86276ca545bfd94c7840 [1,1,0,0,0,0|1,1,0]=4 231 B9R1.7 CCNc1ncc(s1)Br 0af4656f21e9a50b7d44255eaa06e8dc [1,1,0,0,0,0|1,0,0]=3 232 B9R1.7 CCNc1ncc(s1)C ae46aabc9922e91eb11f8310a472106e [1,1,0,0,0,0|1,0,0]=3 233 B9R1.7 CCNc1ncc(s1)Cl 9b12112ab837bbc4b3edbbf25246a50c [1,1,0,0,0,0|1,0,0]=3 234 B9R1.7 CCNc1ncc(s1)F 987c164e961792f37a0fbd35affaae6a [1,1,0,0,0,0|1,0,0]=3 235 B9R1.7 CCNc1nnc(s1)Br 82632646a360c6896c2232072d8d6ab2 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.7 CCNc1nnc(s1)C c9f9fb725da693aab8eddb8feb0b8d42 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.7 CCNc1nnc(s1)Cl 9cdc952e190de7ed4486afc7d53d5cc2 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.7 CCNc1nnc(s1)S 3235b3dec6df5c902f4790b41004e38c [1,1,0,0,0,0|2,0,0]=4 239 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.7 CCOc1nc(cs1)Br 19375ace2681edf7adada6b7ef015e97 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.7 CCOc1nnc(s1)C ce729d6545307cb4d298355d3ed2ef4a [1,1,0,0,0,0|2,0,0]=4 243 B9R1.7 Cc1cnc(s1)NCF 2f030d3d8b66234a8b19c2c6b87c6649 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.7 Cc1cnc(s1)NCO b7fdb9bbd75724cde40c4c0f439de7e1 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.7 Cc1csc(n1)NCF 23e76ce5ab61abd00c1d11056542d85d [1,1,0,0,0,0|2,0,0]=4 246 B9R1.7 Cc1csc(n1)NCO fbd4147082d1d48ebce5e0701647b9b9 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.7 FCNc1nc(cs1)Br 6d777f4715e8270ffacdbc6111786b82 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.7 FCNc1nc(cs1)Cl 9e29fa14a297de206e763201b2e1043d [1,1,0,0,0,0|2,0,0]=4 249 B9R1.7 FCNc1ncc(s1)Br f66532fe1cfcf4e23563a7b78d98d533 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.7 FCNc1ncc(s1)Cl 31817ee53d62203ef7f1c80576bd2e75 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.7 FCNc1ncc(s1)F 9ca50f2bafe8898e776c7cad4144d9f0 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.7 FCOc1nc(cs1)Br 24dfc5eed7e17c38bc1017b52b330fe7 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.7 OCNc1nc(cs1)Br aafbbf31c0deace9b23e3f0ab521810f [1,1,0,0,0,0|2,0,0]=4 254 B9R1.7 OCNc1nc(cs1)Cl ff83e2b308dfbc17ad73efbc0ec12c00 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.7 OCNc1ncc(s1)Br 2872b647a934703fb5a9102922050a89 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.7 OCNc1ncc(s1)Cl d5b0c5622e4b93d34c34fad47aaaa59a [1,1,0,0,0,0|2,0,0]=4 257 B9R1.7 OCNc1ncc(s1)F f4f464673f7796430e2b471eed9156e2 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [1,1,0,0,0,0|2,0,0]=4 259 B9R1.12 BrCCNc1ncco1 f10d61cafefa6d09112d0af6ba2627e7 [1,1,0,0,0,0|1,1,0]=4 260 B9R1.12 BrCCNc1nccs1 2d226f1c46138f8d3dbf20330858038a [1,1,0,0,0,0|1,0,0]=3 261 B9R1.12 BrCCNc1ncns1 2466318a0d32e1d99d4905e7f1d63117 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.12 C#CCNc1nccs1 dab17b6659ce4c61e4fd003cfc22ceca [1,1,0,0,0,0|1,0,1]=4 263 B9R1.12 C#CCOc1nccs1 2500b176703c4ca3e1d5549ada8c2176 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.12 C=CCNc1nccs1 3f63e298dcc8bcadd4a9a6018389fe73 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.12 C=CCOc1nccs1 686b5f36367c1a5b92c6131a339db455 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.12 CCCNc1ncc[nH]1 8f0b11e739cdbcc3c6e78e115ed494fe [1,1,0,0,0,0|1,0,1]=4 268 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [1,1,0,0,0,0|0,1,1]=4 269 B9R1.12 CCCNc1nccs1 26bd7c90c10f9395c78eb9fc2d80649e [1,1,0,0,0,0|0,0,1]=3 270 B9R1.12 CCCNc1ncns1 7c85dffbf3defc91487d1ad2be11f832 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.12 CCCNc1nncs1 6e3185c90a121f6bd5b1de1a33da093b [1,1,0,0,0,0|1,0,1]=4 272 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [1,1,0,0,0,0|1,0,1]=4 273 B9R1.12 CCCOc1nccs1 5f60e0b45753d03ef3faa171be938859 [1,1,0,0,0,0|0,0,1]=3 274 B9R1.12 CCCOc1nncs1 0701431acd24640060df3cdf521cfd84 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,1,0,0,0,0|1,0,1]=4 276 B9R1.12 CCNCc1ncc[nH]1 80bb75fd4db514b30cbb9decd5220667 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [1,1,0,0,0,0|0,1,1]=4 278 B9R1.12 CCNCc1nccs1 526a03e98732df2789dd97318edaafd6 [1,1,0,0,0,0|0,0,1]=3 279 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [1,1,0,0,0,0|1,0,1]=4 281 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [1,1,0,0,0,0|0,1,1]=4 282 B9R1.12 CCOCc1nccs1 42a4ef0c68f9f4ccf7685ffa2d58e68a [1,1,0,0,0,0|0,0,1]=3 283 B9R1.12 CCOCc1ncns1 73fd7421b1e92604c102e0f80b9de9a1 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [1,1,0,0,0,0|2,0,0]=4 285 B9R1.12 COCNc1ncc[nH]1 40f6f94346f0489624dbd120791daf0f [1,1,0,0,0,0|2,0,0]=4 286 B9R1.12 COCNc1ncco1 ef48d84ae70ad4ac2e098cff7a885ffc [1,1,0,0,0,0|1,1,0]=4 287 B9R1.12 COCNc1nccs1 a9a82eb2fef3eceb9545f8e4c6ef3225 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.12 COCNc1ncns1 465b277a40ccf15c5c80dcb19b12e9b1 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.12 COCNc1nncs1 ac875f194f77fff7ee6d9d08eecef1fa [1,1,0,0,0,0|2,0,0]=4 290 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [1,1,0,0,0,0|2,0,0]=4 291 B9R1.12 COCOc1nccs1 c88505ed52fd613977542dc936050055 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.12 COCOc1nncs1 9eb85fc88a710f76b7d2f0e96c8999f6 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.12 CSCNc1ncc[nH]1 e4975d99979905df593178a7ad0e0f5f [1,1,0,0,0,0|2,0,0]=4 295 B9R1.12 CSCNc1ncco1 44b6ee33c95609b66c0a28f57bbe3cb5 [1,1,0,0,0,0|1,1,0]=4 296 B9R1.12 CSCNc1nccs1 f7f95253927fbf72e500dc3bd3ffda68 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.12 CSCNc1nncs1 651a48ac54938b758938dad1d44d27cc [1,1,0,0,0,0|2,0,0]=4 298 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.12 CSCOc1nccs1 c14501a9c816ea2a12ae33f26fb07968 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.12 CSCOc1nncs1 96fec17f1840cc1a239225ffd68dda19 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.12 FCCNc1ncc[nH]1 ac54802ffdf346efface17ca0517dfed [1,1,0,0,0,0|2,0,0]=4 303 B9R1.12 FCCNc1ncco1 47b5c44d7c9c24ca570ff921d61c2e16 [1,1,0,0,0,0|1,1,0]=4 304 B9R1.12 FCCNc1nccs1 120c56a1448bd074a27780dde08884e5 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.12 FCCNc1ncns1 605e81bb315a044636b41fb84a5731f8 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.12 FCCNc1nncs1 a9fa33e3d7ab1c51424e0659dd15b11c [1,1,0,0,0,0|2,0,0]=4 307 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.12 FCCOc1nccs1 c6dbda5940e58a96a5e2bdbdddca8160 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.12 FCCOc1nncs1 f5772a13a470dc1ffccb61452dcf7459 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.12 FCNCc1nccs1 5615475f6c7eb30ffbc57692f2b993b8 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.12 FCOCc1nccs1 7e836ee678b970cddee8ad1814905381 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.12 ICCNc1nccs1 638c6ceb33611f15ab726c24ee3635ff [1,1,0,0,0,0|1,0,0]=3 314 B9R1.12 N#CCNc1nccs1 a59b5896b7c21ed92ef8b72ad217a546 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.12 N#CCOc1nccs1 86370f9016b3d1cddcc6b6ba4caae683 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.12 O=CCNc1nccs1 c96160d5367c01c3981c8d9d23e2d0ad [1,1,0,0,0,0|1,0,1]=4 317 B9R1.12 O=CCOc1nccs1 d224a78e24c64b41df9324845be0ebf6 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.12 OCCNc1ncc[nH]1 81d2b61694a5dd6334d1b7b8278fae51 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.12 OCCNc1ncco1 27672c213574093b88099a3cc5e6e3a7 [1,1,0,0,0,0|1,1,0]=4 321 B9R1.12 OCCNc1nccs1 97ef5b568316a3301eb9dffbc2fa937a [1,1,0,0,0,0|1,0,0]=3 322 B9R1.12 OCCNc1ncns1 4f1785a0888137c7db46610fc38ec0e4 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.12 OCCNc1nncs1 a718e41c726d100809d68e07b7eda617 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.12 OCNCc1nccs1 11e087dc3a42e81fae34a358a44fd79d [1,1,0,0,0,0|1,0,1]=4 325 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [1,1,0,0,0,0|2,0,0]=4 326 B9R1.12 SCCNc1ncc[nH]1 74ef4cadc5abb2bd639853125c133ea9 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.12 SCCNc1ncco1 1229403417eadb8e714b272bcc417e39 [1,1,0,0,0,0|1,1,0]=4 328 B9R1.12 SCCNc1nccs1 e076cf8c1bacf8ab97c5133e1a44b775 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.12 SCCNc1ncns1 405a32ac6cc0a5a371daad627fdb561d [1,1,0,0,0,0|2,0,0]=4 330 B9R1.12 SCCNc1nncs1 90715abc84f8499af1a395659889a5c4 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.12 SCCOc1nccs1 b58eec8e8d0b6831123e81914019c24f [1,1,0,0,0,0|1,0,0]=3 333 B9R1.12 SCCOc1nncs1 3b537034d03ab87f7550415bc5f344a5 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.13 CC(=O)Nc1nccs1 77a8d229d5e2ebce94e2316ec872dfb6 [1,1,0,0,0,0|1,0,1]=4 335 B9R1.13 CC(C)Nc1ncc[nH]1 8d05845695c8fb7502c2af4756268830 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.13 CC(C)Nc1ncco1 fcd0fac8f92d9b0f4549470280738971 [1,1,0,0,0,0|1,1,0]=4 337 B9R1.13 CC(C)Nc1nccs1 a7ef9a363e91d5ff572edca29e81d493 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.13 CC(C)Nc1ncns1 9da3ae4dd3dfc18a9fb390dcfc3ea496 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.13 CC(C)Nc1nncs1 f3607a1b97a69a72d891bb767eb26076 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [1,1,0,0,0,0|2,0,0]=4 341 B9R1.13 CC(C)Oc1nccs1 6b7fdf51a80ea2ae8353cabc54ee22f1 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.13 CC(C)Oc1nncs1 5dd301398ca8ba4a5a46998ed07cdebf [1,1,0,0,0,0|2,0,0]=4 343 B9R1.33 CCNc1nccn1C 160560ef4202125b48625bf6571b6c6e [1,1,0,0,0,0|2,0,0]=4 344 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [0,1,0,0,0,1|2,0,0]=4 345 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.12 CCN(C=O)c1cccnn1 bc5719b16cc7ecd03429b0711c320eb4 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,1,0,0,0,1|2,0,0]=4 348 B11R1.30 C#CCC(=O)Nc1cccs1 7fc435d72abffb5f523dd2266744fe97 [0,1,0,0,0,1|1,0,1]=4 349 B11R1.30 C#CCC(=O)Nc1ncco1 18c9dc20e0aa135fdb40643e384268e3 [0,1,0,0,0,1|0,1,1]=4 350 B11R1.30 C#CCC(=O)Nc1nccs1 68f6803dcbcdc371a9e17540498c0b44 [0,1,0,0,0,1|0,0,1]=3 351 B11R1.30 C#CCC(=O)Nc1ncns1 c3f2f707b2e0782c370ce5ec02475e66 [0,1,0,0,0,1|1,0,1]=4 352 B11R1.30 C/C=C/C(=O)Nc1cccs1 b88ce0f8a91c462affd137607d6d36dc [0,1,0,0,0,1|1,0,1]=4 353 B11R1.30 C/C=C/C(=O)Nc1ncco1 1282f2efb1ed2f54cdb05b4beaae5228 [0,1,0,0,0,1|0,1,1]=4 354 B11R1.30 C/C=C/C(=O)Nc1nccs1 f86c6b034a0c3ed5decaca9fc46e33a9 [0,1,0,0,0,1|0,0,1]=3 355 B11R1.30 C/C=C/C(=O)Nc1ncns1 15080d5a5ce4c3f75e41ef36421ce3b9 [0,1,0,0,0,1|1,0,1]=4 356 B11R1.30 C/C=C/C(=O)Nc1nncs1 85fe38e4510ee5ac8ceee5d3ab8dcb00 [0,1,0,0,0,1|1,0,1]=4 357 B11R1.30 C=CCC(=O)Nc1cccs1 80873c7ca7742b806143be5b5d7a8ff3 [0,1,0,0,0,1|1,0,1]=4 358 B11R1.30 C=CCC(=O)Nc1ncco1 6a48ea59766a33d08343dfa04e7b4269 [0,1,0,0,0,1|0,1,1]=4 359 B11R1.30 C=CCC(=O)Nc1nccs1 3d5367267d88d38d51d6fa7d59164505 [0,1,0,0,0,1|0,0,1]=3 360 B11R1.30 C=CCC(=O)Nc1ncns1 1f18b5a6eae16a1cafbecf008e267c42 [0,1,0,0,0,1|1,0,1]=4 361 B11R1.30 C=CCC(=O)Nc1nncs1 a08a8a4bccbe57bb09b5f6a7eb6dfc81 [0,1,0,0,0,1|1,0,1]=4 362 B11R1.30 CC#CC(=O)Nc1cccs1 87ffd0a5fb7985c87692f6328976123e [0,1,0,0,0,1|1,0,1]=4 363 B11R1.30 CC#CC(=O)Nc1ncco1 7f5f7f1d1ff1407ca5f7c855004ead68 [0,1,0,0,0,1|0,1,1]=4 364 B11R1.30 CC#CC(=O)Nc1nccs1 e62365d415cf068df75aec2d70bef588 [0,1,0,0,0,1|0,0,1]=3 365 B11R1.30 CC#CC(=O)Nc1ncns1 645b74718c6b5e9acaf251cfe238b92e [0,1,0,0,0,1|1,0,1]=4 366 B11R1.30 CC(CCO)Nc1nccs1 0e6be9038df1f6f7afa448f825102ee9 [0,1,0,0,0,1|1,0,1]=4 367 B11R1.30 CCCC(=O)Nc1cccs1 e85255fe7df8b1c9d43477733b584e37 [0,1,0,0,0,1|1,0,0]=3 368 B11R1.30 CCCC(=O)Nc1ccns1 2a74865dacf52b7f3354ddeff0f77c31 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.30 CCCC(=O)Nc1cncs1 c331b08b0db441dc3cb2dfd771fc3b07 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.30 CCCC(=O)Nc1cocn1 cae2207ebb19761b24ffb7f63baed56c [0,1,0,0,0,1|2,0,0]=4 371 B11R1.30 CCCC(=O)Nc1cscn1 4dbfcf033d267b67d2d4ce2bd176a94e [0,1,0,0,0,1|2,0,0]=4 372 B11R1.30 CCCC(=O)Nc1ncco1 c7577386937f7b8ea3029afe6bf848b7 [0,1,0,0,0,1|0,1,0]=3 373 B11R1.30 CCCC(=O)Nc1nccs1 e9f83916e72fe67095f66a8ff23682db [0,1,0,0,0,1|0,0,0]=2 374 B11R1.30 CCCC(=O)Nc1ncns1 1b96846de5a4cf23626875bd2a40c7bc [0,1,0,0,0,1|1,0,0]=3 375 B11R1.30 CCCC(=O)Nc1nncs1 a26054b855789081f8656bb926cf176f [0,1,0,0,0,1|1,0,0]=3 376 B11R1.30 CCCC(=O)Nc1nnns1 17b904025f135554d01e7fdde7937a0e [0,1,0,0,0,1|2,0,0]=4 377 B11R1.30 CCCC(C)Nc1nccs1 c7695b71c92cc9661656c60f4813a6a2 [0,1,0,0,0,1|1,0,1]=4 378 B11R1.30 CCCC(C)Oc1nccs1 800276f9fd018d94b21807354c854724 [0,1,0,0,0,1|1,0,1]=4 379 B11R1.30 CCCN(C)Cc1nccs1 00005974bb045b8b599c15d103d80ced [0,1,0,0,0,1|2,0,0]=4 380 B11R1.30 CN(CCF)Cc1nccs1 a22cb78aac9a2e5d1facfabf38fbda4a [0,1,0,0,0,1|2,0,0]=4 381 B11R1.30 CN(CCO)Cc1nccs1 fe0ce7a707d9b3455e5fcc5d771f99f7 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.30 CN(CCS)Cc1nccs1 34a3408f7a55d14dbe20256bbfbab130 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.30 COCC(=O)Nc1cccs1 fbca31af7a27ff67c42c92ab71bc8d63 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.30 COCC(=O)Nc1ccns1 7be58ea32a7181d7f170a7288757e136 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.30 COCC(=O)Nc1cncs1 7bb0f00bea439135f8873e059968f3c0 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.30 COCC(=O)Nc1cocn1 f2805bde89bde965f957591bf1b2a8ba [0,1,0,0,0,1|2,0,0]=4 387 B11R1.30 COCC(=O)Nc1cscn1 da4366206f27d8ffc0b106436228098e [0,1,0,0,0,1|2,0,0]=4 388 B11R1.30 COCC(=O)Nc1ncco1 d05d688c86611e685b1545d8fd8da624 [0,1,0,0,0,1|0,1,0]=3 389 B11R1.30 COCC(=O)Nc1nccs1 92039ff24c9ffe84a41c1ed7aa5732b7 [0,1,0,0,0,1|0,0,0]=2 390 B11R1.30 COCC(=O)Nc1ncns1 c26d5e0cf01717f0abb7279e4acbb47c [0,1,0,0,0,1|1,0,0]=3 391 B11R1.30 COCC(=O)Nc1nncs1 818513fd3aa834eea4942d66d4377536 [0,1,0,0,0,1|1,0,0]=3 392 B11R1.30 COCC(=O)Nc1nnns1 9544dc43191cab7090c09ab23070cf22 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.30 COCC(C)Nc1nccs1 540e94f0b2fb058c4e422a3ee80fb5b7 [0,1,0,0,0,1|1,0,1]=4 394 B11R1.30 COCC(C)Oc1nccs1 23f6a489983f29f5f1e7b3906a12db16 [0,1,0,0,0,1|1,0,1]=4 395 B11R1.30 COCN(C)Cc1nccs1 2921625fad4973a002456629ed1dca86 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.30 COC[C@@H](C)Nc1nccs1 67f7295c90138c34b9882a4713bae492 [0,1,0,0,0,1|1,0,1]=4 397 B11R1.30 COC[C@H](C)Nc1nccs1 2007e8340df305fed78cfac95ef763b7 [0,1,0,0,0,1|1,0,1]=4 398 B11R1.30 CSCC(=O)Nc1cccs1 e1a3f9b8048fdfd149d89cad894707fd [0,1,0,0,0,1|1,0,0]=3 399 B11R1.30 CSCC(=O)Nc1ccns1 2f1c155229f70ab039e8cc2d6001117d [0,1,0,0,0,1|2,0,0]=4 400 B11R1.30 CSCC(=O)Nc1cscn1 f3c0025058aa57f0be6c0a74378f61ce [0,1,0,0,0,1|2,0,0]=4 401 B11R1.30 CSCC(=O)Nc1ncco1 c8b2ad450085c7437a61184460ef6a9d [0,1,0,0,0,1|0,1,0]=3 402 B11R1.30 CSCC(=O)Nc1nccs1 52356853a7cd551e4e3bfb71bc0668ab [0,1,0,0,0,1|0,0,0]=2 403 B11R1.30 CSCC(=O)Nc1ncns1 a1257662d4711a16127c461685d969fc [0,1,0,0,0,1|1,0,0]=3 404 B11R1.30 CSCN(C)Cc1nccs1 a22c4bf5965c467227cdc11a5d13de17 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.30 N#CCC(=O)Nc1cccs1 060669175f87ed90898e65fb70f04276 [0,1,0,0,0,1|1,0,1]=4 406 B11R1.30 N#CCC(=O)Nc1ncco1 6a21d85c59cb1c08107b551b69b7e01f [0,1,0,0,0,1|0,1,1]=4 407 B11R1.30 N#CCC(=O)Nc1nccs1 f45fd99093aed87d5d84b8905def9327 [0,1,0,0,0,1|0,0,1]=3 408 B11R1.30 N#CCC(=O)Nc1ncns1 3b25316d68f168742ca695899a1f276e [0,1,0,0,0,1|1,0,1]=4 409 B11R1.30 N#CNC(=O)Cc1nccs1 39a6328ff63ee013d14df222b8e35b91 [0,1,0,0,0,1|1,0,1]=4 410 B11R1.30 NOCC(=O)Nc1cccs1 8ecbdf4e81e0c77649ab5baf7f9d4387 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.30 NOCC(=O)Nc1ncco1 8548c22e6381cec66f9beeefed8c4def [0,1,0,0,0,1|1,1,0]=4 412 B11R1.30 NOCC(=O)Nc1nccs1 5a3c16ea33bbabad01f9130dacec2297 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.30 NOCC(=O)Nc1ncns1 76e09e94bf5ad798300821eb8bd6f167 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.30 NOCC(=O)Nc1nncs1 b70a9763a54ed0f61ad5329fbc7bd219 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.30 O=C(/C=C/Br)Nc1nccs1 868f31dc77fe909ab21b28ee8c6b0a63 [0,1,0,0,0,1|0,0,2]=4 416 B11R1.30 O=C(/C=C/Cl)Nc1nccs1 b152e500daf6bca77a449b63c4788b1e [0,1,0,0,0,1|0,0,2]=4 417 B11R1.30 O=C(/C=C/I)Nc1nccs1 0a23f5e4414372dde2c4d8db57f562ea [0,1,0,0,0,1|0,0,2]=4 418 B11R1.30 O=C(/C=C\Br)Nc1nccs1 061156dc5f608335f51496d9f59256ea [0,1,0,0,0,1|0,0,2]=4 419 B11R1.30 O=C(/C=C\Cl)Nc1nccs1 d204fdf3a838cb1b8a7c47ac71662160 [0,1,0,0,0,1|0,0,2]=4 420 B11R1.30 O=C(/C=C\I)Nc1nccs1 aab3f2133d78a3134ed0feb7fcc5bf2c [0,1,0,0,0,1|0,0,2]=4 421 B11R1.30 O=C(C#CBr)Nc1nccs1 95e79eac813674b6cbde45e48634305c [0,1,0,0,0,1|0,0,2]=4 422 B11R1.30 O=C(C=CBr)Nc1nccs1 f6abe3b843a604bfeb53a918a22885e7 [0,1,0,0,0,1|0,0,2]=4 423 B11R1.30 O=C(C=CI)Nc1nccs1 8c4df9a51df5ebd9cb5efc769962eb2b [0,1,0,0,0,1|0,0,2]=4 424 B11R1.30 O=C(CCF)Nc1cccs1 11954c15d658b87518dea01d2ae651db [0,1,0,0,0,1|1,0,0]=3 425 B11R1.30 O=C(CCF)Nc1ccns1 4e347d1ee8b939bd881efa8130f4efc2 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.30 O=C(CCF)Nc1cncs1 93545efbaf1a92d9dfebedaead28429d [0,1,0,0,0,1|2,0,0]=4 427 B11R1.30 O=C(CCF)Nc1cocn1 d519f93fc72812e956d059a528546c0c [0,1,0,0,0,1|2,0,0]=4 428 B11R1.30 O=C(CCF)Nc1cscn1 e4ac61562b08bb3383c3d26d8345a9d6 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.30 O=C(CCF)Nc1ncco1 ffe859ce8f1fb4360f6961260caa34da [0,1,0,0,0,1|0,1,0]=3 430 B11R1.30 O=C(CCF)Nc1nccs1 346a84ecc1270eecd7d1c69c2af17c8e [0,1,0,0,0,1|0,0,0]=2 431 B11R1.30 O=C(CCF)Nc1ncns1 03d0d5c61812c12d3730cbe7b041c1fd [0,1,0,0,0,1|1,0,0]=3 432 B11R1.30 O=C(CCF)Nc1nncs1 e540d37ea5a01d6d597c48f0836d1019 [0,1,0,0,0,1|1,0,0]=3 433 B11R1.30 O=C(CCF)Nc1nnns1 c7f1a561dabef639bf041d66a11ed96b [0,1,0,0,0,1|2,0,0]=4 434 B11R1.30 O=C(CCO)Nc1cccs1 4ef96122338343ae270a589c2d6406df [0,1,0,0,0,1|1,0,0]=3 435 B11R1.30 O=C(CCO)Nc1ccns1 f062cb02f326fdfea808a5f5485fcbc8 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.30 O=C(CCO)Nc1cocn1 cd9239645089c0b93ab2aca5d31ffc7d [0,1,0,0,0,1|2,0,0]=4 437 B11R1.30 O=C(CCO)Nc1cscn1 3b1337719d6a51011750b81cf94bca27 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.30 O=C(CCO)Nc1ncco1 7accfcc603de6dacaef9ad6baf19059d [0,1,0,0,0,1|0,1,0]=3 439 B11R1.30 O=C(CCO)Nc1nccs1 11a4d6229bc814ad5d2559287550ca90 [0,1,0,0,0,1|0,0,0]=2 440 B11R1.30 O=C(CCO)Nc1ncns1 b5914821a7130dd282f3b147f02820dc [0,1,0,0,0,1|1,0,0]=3 441 B11R1.30 O=C(CCO)Nc1nncs1 1fc1afb4f4ad08cc6dddda918e3c50d5 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.30 O=C(CCO)Nc1nnns1 017408a50d43ececc77ce481afafad39 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.30 O=C(CCS)Nc1cccs1 fdfbda4bb4d6e87c2bf10819d1387b88 [0,1,0,0,0,1|1,0,0]=3 444 B11R1.30 O=C(CCS)Nc1ccns1 9bbbd567b3e0eb3eed39a9a7c027e2b2 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.30 O=C(CCS)Nc1cncs1 8a72e3a0f6253d574890b2c2dcd36a49 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.30 O=C(CCS)Nc1cocn1 f31f1a51bcf957dbcdc2c042b16e667f [0,1,0,0,0,1|2,0,0]=4 447 B11R1.30 O=C(CCS)Nc1cscn1 040a2625c56144e1f3cff8e021bcfef8 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.30 O=C(CCS)Nc1ncco1 f18dc92005149a12b5b786d307f31b3a [0,1,0,0,0,1|0,1,0]=3 449 B11R1.30 O=C(CCS)Nc1nccs1 66ba860a71a3399df7961303f147e958 [0,1,0,0,0,1|0,0,0]=2 450 B11R1.30 O=C(CCS)Nc1ncns1 54ee465e49580bc3cd3516abf1af6daa [0,1,0,0,0,1|1,0,0]=3 451 B11R1.30 O=C(CCS)Nc1nncs1 3a9a39bd77a3523854bd3e46c412c45f [0,1,0,0,0,1|1,0,0]=3 452 B11R1.30 O=C(CCS)Nc1nnns1 0f86cbe8317c60d626865f5cb6924951 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.30 O=CCC(=O)Nc1cccs1 aeae37596cd339d6deff0f806e2094ef [0,1,0,0,0,1|1,0,1]=4 454 B11R1.30 O=CCC(=O)Nc1ncco1 0205ae2726a209552d24d926294a50fc [0,1,0,0,0,1|0,1,1]=4 455 B11R1.30 O=CCC(=O)Nc1nccs1 fc9f48a88aae4bdcca72f67a0ced5a9d [0,1,0,0,0,1|0,0,1]=3 456 B11R1.30 O=CCC(=O)Nc1ncns1 12d3e8e8c1f3480b4a39e5629f309802 [0,1,0,0,0,1|1,0,1]=4 457 B11R1.30 O=CCC(=O)Nc1nncs1 e0a3e3d50b067afe73adecb16be8fd62 [0,1,0,0,0,1|1,0,1]=4 458 B11R1.31 C#CC(=O)N(C)c1nccs1 c275e4b0de8aa77ca2d1a7ac26a8e50c [0,1,0,0,0,1|0,0,2]=4 459 B11R1.31 C=CC(=O)N(C)c1nccs1 227b0ad7fafc9fc51f7d16cbe44abe9f [0,1,0,0,0,1|0,0,2]=4 460 B11R1.31 CCC(=O)N(C)c1ccon1 1e7d7a3e64ac19564e3123946ccb1db6 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.31 CCC(=O)N(C)c1ncco1 e6aa8512e393b5fa859eb0961182ec78 [0,1,0,0,0,1|0,1,0]=3 462 B11R1.31 CCC(=O)N(C)c1nccs1 46b6b912da9f82faaa10c00a29ba1b01 [0,1,0,0,0,1|0,0,0]=2 463 B11R1.31 CCC(=O)N(C)c1nnco1 f414f7bb4e1512e5763b0fc43c10f128 [0,1,0,0,0,1|1,1,0]=4 464 B11R1.31 CCC(C)N(C)c1nccs1 d4139ecc27117a07f0b6312e0eea4d22 [0,1,0,0,0,1|1,0,1]=4 465 B11R1.31 CCN(C)C(=O)c1nccs1 72fa8027d0a7cd20ed26c27371619943 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.31 CCN(C)C(C)c1nccs1 3ecd048f24ba02dd53d028f0ac9280e3 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.31 CN(C(=O)C=O)c1nccs1 e24411ad458ba8e43fd1b41f1e9ac069 [0,1,0,0,0,1|1,0,1]=4 468 B11R1.31 CN(C(=O)CF)c1ncco1 46d4bde5593d8e08289567ea7f2c001c [0,1,0,0,0,1|1,1,0]=4 469 B11R1.31 CN(C(=O)CF)c1nccs1 45fe5e6ab8e9185de86bce8816161773 [0,1,0,0,0,1|1,0,0]=3 470 B11R1.31 CN(C(=O)CO)c1ncco1 251151b53a4d91ce8a29f6c13612f97c [0,1,0,0,0,1|1,1,0]=4 471 B11R1.31 CN(C(=O)CO)c1nccs1 3bea5fff30a0166e976d6a5026943eab [0,1,0,0,0,1|1,0,0]=3 472 B11R1.31 CN(C(=O)CO)c1nncs1 2bb558615fa2e033cf8c3a269246a21f [0,1,0,0,0,1|2,0,0]=4 473 B11R1.31 CN(C(=O)CS)c1ncco1 1ecaab50f1f953bca63bb5da6f360c12 [0,1,0,0,0,1|1,1,0]=4 474 B11R1.31 CN(C(=O)CS)c1nccs1 251dd4341d9c296bc1a6c97159cbb64e [0,1,0,0,0,1|1,0,0]=3 475 B11R1.35 C=C(Br)C(=O)Nc1nccs1 00f9280cdc8cdb214e244542e7e42eff [0,1,0,0,0,1|0,0,2]=4 476 B11R1.35 C=C(C)C(=O)Nc1cccs1 1760e0a66affe8fd5b39b43d74c60a5e [0,1,0,0,0,1|1,0,1]=4 477 B11R1.35 C=C(C)C(=O)Nc1ncco1 b4352d079128cdc019afd42c4eb31828 [0,1,0,0,0,1|0,1,1]=4 478 B11R1.35 C=C(C)C(=O)Nc1nccs1 2552b154fdbf7cd2eddc0c3f939dd34c [0,1,0,0,0,1|0,0,1]=3 479 B11R1.35 C=C(C)C(=O)Nc1ncns1 e150b4212bbf9d93ee725cc1a5572fa4 [0,1,0,0,0,1|1,0,1]=4 480 B11R1.35 C=C(Cl)C(=O)Nc1nccs1 45a3625a8fbbfc1bc20b4985e9539e78 [0,1,0,0,0,1|0,0,2]=4 481 B11R1.35 C=C(F)C(=O)Nc1nccs1 aefefbf3bbdf13d638dd05aafc4bbb82 [0,1,0,0,0,1|0,0,2]=4 482 B11R1.35 CC(=O)C(=O)Nc1cccs1 de6d70e3306c47e09cb36ff931517690 [0,1,0,0,0,1|1,0,1]=4 483 B11R1.35 CC(=O)C(=O)Nc1ncco1 1951beb575cdea14f51dfb91f1315f40 [0,1,0,0,0,1|0,1,1]=4 484 B11R1.35 CC(=O)C(=O)Nc1nccs1 a90422ab648da5edb7f418d735881130 [0,1,0,0,0,1|0,0,1]=3 485 B11R1.35 CC(=O)C(=O)Nc1ncns1 79b4ab69d992cca9b22a1c815ee5c695 [0,1,0,0,0,1|1,0,1]=4 486 B11R1.35 CC(=O)C(=O)Nc1nncs1 88e842af435f6e92e01d26fb31a6f03c [0,1,0,0,0,1|1,0,1]=4 487 B11R1.35 CC(C)C(C)Nc1nccs1 9955ce0647a8e239c14460c6a35f8322 [0,1,0,0,0,1|1,0,1]=4 488 B11R1.35 CC(C)C(C)Oc1nccs1 ea416e24087b6773a865b37c9abef4a0 [0,1,0,0,0,1|1,0,1]=4 489 B11R1.35 CC(C)N(C)Cc1nccs1 551086b4eca14559e3d58fe779cebf93 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.35 CC(C)[C@@H](C)Nc1nccs1 6f655fe27b2cba6f40dbd8b0d1ec45cb [0,1,0,0,0,1|1,0,1]=4 491 B11R1.35 CC(C)[C@H](C)Nc1nccs1 88d8d60a383a8cc8c07f0137a6313939 [0,1,0,0,0,1|1,0,1]=4 492 B11R1.35 CC(F)C(=O)Nc1cccs1 4d402e012a605d9adba58544fbaba3b2 [0,1,0,0,0,1|1,0,0]=3 493 B11R1.35 CC(F)C(=O)Nc1ccns1 4af3f192057236c03aaf72ef759dc15b [0,1,0,0,0,1|2,0,0]=4 494 B11R1.35 CC(F)C(=O)Nc1cncs1 a4b130a6a1d0d6bd98fff87a751844dc [0,1,0,0,0,1|2,0,0]=4 495 B11R1.35 CC(F)C(=O)Nc1ncns1 c4f8b5a90573c5e6fbd5a02e3787a4f1 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.35 CC(O)C(=O)Nc1cccs1 6eb72c9e5dc282f1cb487ff6167488a8 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.35 CC(O)C(=O)Nc1ccns1 4877ba127f30de82d018f6623e7ac403 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.35 CC(O)C(=O)Nc1cncs1 9d1ba5793d984c6155a95ac7da2d5c65 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.35 CC(O)C(=O)Nc1cocn1 25fe9f6858901c33fc1f2d5bca53f8d5 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.35 CC(O)C(=O)Nc1cscn1 d74808c59a3e458e4ee5c622d0b27841 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.35 CC(O)C(=O)Nc1ncco1 f69d0911f806047125effc6c25f0776d [0,1,0,0,0,1|0,1,0]=3 502 B11R1.35 CC(O)C(=O)Nc1nccs1 4239437e9c6e1d7670c4411dd05d8ce4 [0,1,0,0,0,1|0,0,0]=2 503 B11R1.35 CC(O)C(=O)Nc1ncns1 1e6fea247c066e3d6ec23658f7c81cf5 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.35 CC(O)C(=O)Nc1nncs1 570da595bee078903f95e318faf53936 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.35 CC(O)C(=O)Nc1nnns1 f8d68477f1588b237b81673376598a4e [0,1,0,0,0,1|2,0,0]=4 506 B11R1.35 CC(S)C(=O)Nc1cccs1 377ba5c82b250807ffe4652b2a229579 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.35 CC(S)C(=O)Nc1ccns1 87c76802dc30075aebee7292ead4e546 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.35 CC(S)C(=O)Nc1cncs1 17d939afefcd2eb2244f0438e3c0f752 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.35 CC(S)C(=O)Nc1cocn1 da9e275a11a1598d9b48a2bc4ec6bea6 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.35 CC(S)C(=O)Nc1cscn1 18bb421cd3f0213729669164e9822793 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.35 CC(S)C(=O)Nc1ncco1 1a8f644a6d1af844b841681d47e4600f [0,1,0,0,0,1|0,1,0]=3 512 B11R1.35 CC(S)C(=O)Nc1nccs1 699d90a5b5c8a657c457e4dc72093034 [0,1,0,0,0,1|0,0,0]=2 513 B11R1.35 CC(S)C(=O)Nc1ncns1 2dcd861ed0e70b7096e50ae6d13bb841 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.35 CC(S)C(=O)Nc1nncs1 7c8af5a7c6c2058388811bbda3e35c54 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.35 CC(S)C(=O)Nc1nnns1 903ee695bb3fb3953edba2c4df58087d [0,1,0,0,0,1|2,0,0]=4 516 B11R1.35 C[C@@H](F)C(=O)Nc1cccs1 d92d205070519a1e88fedeff6190ba2e [0,1,0,0,0,1|1,0,0]=3 517 B11R1.35 C[C@@H](F)C(=O)Nc1ccns1 bdf78227ff3cf3222f499de889985ec4 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.35 C[C@@H](F)C(=O)Nc1cncs1 19da327b2313294934976f518f0a23eb [0,1,0,0,0,1|2,0,0]=4 519 B11R1.35 C[C@@H](F)C(=O)Nc1ncns1 468fdc6fc347dcfec52b8b58b2e0a224 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.35 C[C@@H](O)C(=O)Nc1cccs1 1fe558ea537643901f641b0a0eef2170 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.35 C[C@@H](O)C(=O)Nc1ccns1 77d4346440f9cec4bc4d9ad539cfe4c7 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.35 C[C@@H](O)C(=O)Nc1cncs1 aaf22ecb6eb9a77bce082ed61e3d6d40 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.35 C[C@@H](O)C(=O)Nc1cocn1 fa4890a3cf8d8b3a337b27b6d62d0d9a [0,1,0,0,0,1|2,0,0]=4 524 B11R1.35 C[C@@H](O)C(=O)Nc1cscn1 c40eb5c8a281b2bef23137a567e9273c [0,1,0,0,0,1|2,0,0]=4 525 B11R1.35 C[C@@H](O)C(=O)Nc1ncco1 2b4e4e2a804563f93d7ecd8b0fc7437e [0,1,0,0,0,1|0,1,0]=3 526 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 958262c24672258b5b512310d80a9cb5 [0,1,0,0,0,1|0,0,0]=2 527 B11R1.35 C[C@@H](O)C(=O)Nc1ncns1 8eb1124f02b66903699d5ec458d74e69 [0,1,0,0,0,1|1,0,0]=3 528 B11R1.35 C[C@@H](O)C(=O)Nc1nncs1 3828ff1f1f09d541a6af65a53609fc69 [0,1,0,0,0,1|1,0,0]=3 529 B11R1.35 C[C@@H](O)C(=O)Nc1nnns1 3d0e4f6a47e427c5b52d6c40581b4f33 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.35 C[C@H](F)C(=O)Nc1cccs1 986bb8df1b1d2fb3059e35517fbf1a83 [0,1,0,0,0,1|1,0,0]=3 531 B11R1.35 C[C@H](F)C(=O)Nc1ccns1 a1720396d0ca1ee9b59163d7f73d6886 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.35 C[C@H](F)C(=O)Nc1cncs1 294f47d883c1724dec553b97a4229927 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.35 C[C@H](F)C(=O)Nc1ncns1 be0dd61f56fedeca5c811a0929d9b0ce [0,1,0,0,0,1|1,0,0]=3 534 B11R1.35 C[C@H](O)C(=O)Nc1cccs1 a72074808487f8f06bedff857aeeec7f [0,1,0,0,0,1|1,0,0]=3 535 B11R1.35 C[C@H](O)C(=O)Nc1ccns1 8356177aa2fe275e69cf9bbeef8796ed [0,1,0,0,0,1|2,0,0]=4 536 B11R1.35 C[C@H](O)C(=O)Nc1cncs1 db24f6aafd68b3a6cc4a44432f17f82f [0,1,0,0,0,1|2,0,0]=4 537 B11R1.35 C[C@H](O)C(=O)Nc1cocn1 82c719c7ee04450285e9e19c432743ae [0,1,0,0,0,1|2,0,0]=4 538 B11R1.35 C[C@H](O)C(=O)Nc1cscn1 78c218a6e11d91666267460624f49f16 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.35 C[C@H](O)C(=O)Nc1ncco1 e47273513233c549f1fa0a4daa825a9e [0,1,0,0,0,1|0,1,0]=3 540 B11R1.35 C[C@H](O)C(=O)Nc1nccs1 5929f7d2f8db310222388f9a19772be7 [0,1,0,0,0,1|0,0,0]=2 541 B11R1.35 C[C@H](O)C(=O)Nc1ncns1 5a024378dfdca89acc6acae57ccb2fcf [0,1,0,0,0,1|1,0,0]=3 542 B11R1.35 C[C@H](O)C(=O)Nc1nncs1 7019be15dba198b5338c63bb9d8c780f [0,1,0,0,0,1|1,0,0]=3 543 B11R1.35 C[C@H](O)C(=O)Nc1nnns1 87e84e427c916c2b42c72e0c30b4f4cf [0,1,0,0,0,1|2,0,0]=4 544 B11R1.35 NC(=O)C(=O)Nc1nccs1 77e53fa274ce11647bd21c2a066e809b [0,1,0,0,0,1|1,0,1]=4 545 B11R1.35 O=C(Nc1cccs1)C(F)F 738424d5bd84044e825b30fa13262052 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.35 O=C(Nc1cccs1)C(O)O f8905ff521d14822c129923c80b9fa6c [0,1,0,0,0,1|2,0,0]=4 547 B11R1.35 O=C(Nc1ncco1)C(F)F e728140a57a90298d4311848142a87a0 [0,1,0,0,0,1|1,1,0]=4 548 B11R1.35 O=C(Nc1ncco1)C(O)O 2b5532aa7d5a5159c331e7bc60287f4f [0,1,0,0,0,1|1,1,0]=4 549 B11R1.35 O=C(Nc1nccs1)C(F)F 01ddde5ec3fab337ec8e18317517527c [0,1,0,0,0,1|1,0,0]=3 550 B11R1.35 O=C(Nc1nccs1)C(O)O f955bdf2f35907a350872148a05cc378 [0,1,0,0,0,1|1,0,0]=3 551 B11R1.35 O=C(Nc1ncns1)C(F)F 5105f950f703d75c6dcc506146650da2 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.35 O=C(Nc1ncns1)C(O)O 1605e4188e8e626450027ef0642ed2bf [0,1,0,0,0,1|2,0,0]=4 553 B11R1.35 O=C(Nc1nncs1)C(F)F 967ff00b0d4cf32cf0a7bd3c092f3dab [0,1,0,0,0,1|2,0,0]=4 554 B11R1.35 O=C(Nc1nncs1)C(O)O 5aaafc673c5190f07ecc8a9979cb50ff [0,1,0,0,0,1|2,0,0]=4 555 B11R1.39 C#CC(=O)Nc1nc(cs1)Br d4115ec8a327d7ab84183f3f6d5c47ac [0,1,0,0,0,1|0,0,2]=4 556 B11R1.39 C#CC(=O)Nc1nc(cs1)C ad8886eef4ff81171ec7ef916c373a61 [0,1,0,0,0,1|0,0,2]=4 557 B11R1.39 C#CC(=O)Nc1nc(cs1)Cl 473cab60126d6d6f09de477801232e9f [0,1,0,0,0,1|0,0,2]=4 558 B11R1.39 C#CC(=O)Nc1nc(cs1)O 0ae7b11a04813c282fa6bd2eb764c709 [0,1,0,0,0,1|0,0,2]=4 559 B11R1.39 C#CC(=O)Nc1ncc(s1)C 9010435f0b37673ee4d748feb6ea33a8 [0,1,0,0,0,1|0,0,2]=4 560 B11R1.39 C#CC(=O)Nc1ncc(s1)Cl 5a95dbe2744bd0694c155544e345eb89 [0,1,0,0,0,1|0,0,2]=4 561 B11R1.39 C#CC(=O)Nc1ncc(s1)F 36159a8e36fdf17fdd9fd2ff04bd0486 [0,1,0,0,0,1|0,0,2]=4 562 B11R1.39 C=CC(=O)Nc1nc(cs1)Br fcccec789dbd13322222aa4f41e12851 [0,1,0,0,0,1|0,0,2]=4 563 B11R1.39 C=CC(=O)Nc1nc(cs1)C 56917ff8309cbbe09567493eb7e029d9 [0,1,0,0,0,1|0,0,2]=4 564 B11R1.39 C=CC(=O)Nc1nc(cs1)Cl 754c827b18e5ddbfed62418e5d7cf495 [0,1,0,0,0,1|0,0,2]=4 565 B11R1.39 C=CC(=O)Nc1nc(cs1)O c7f125e1f416f56f9f1672c23c7b2352 [0,1,0,0,0,1|0,0,2]=4 566 B11R1.39 C=CC(=O)Nc1ncc(s1)Br f02a1a63499c88f97fe9b06a6e1013f2 [0,1,0,0,0,1|0,0,2]=4 567 B11R1.39 C=CC(=O)Nc1ncc(s1)C ad8a5f14f3a1fca9595e64c50efdcc2b [0,1,0,0,0,1|0,0,2]=4 568 B11R1.39 C=CC(=O)Nc1ncc(s1)Cl 78734731bffc2edc621107b0d3e3cc66 [0,1,0,0,0,1|0,0,2]=4 569 B11R1.39 C=CC(=O)Nc1ncc(s1)F 428c6d143a1b0fa63d9b62f6b9c2f28f [0,1,0,0,0,1|0,0,2]=4 570 B11R1.39 C=CC(=O)Nc1ncc(s1)S f60990f02e3a2dae283357a9e1e635af [0,1,0,0,0,1|0,0,2]=4 571 B11R1.39 CCC(=O)Nc1cc(ns1)C 6a9bbe34f3258e109c76005df2a5fb86 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.39 CCC(=O)Nc1cc(on1)C 7372f977f601b1347ce072ac440c48c9 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.39 CCC(=O)Nc1ccc(s1)Br 3b0c93d8e70414e8bf45e86ea6447bc0 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.39 CCC(=O)Nc1ccn(n1)C c7fe912169eef8779416c451aaefebc5 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.39 CCC(=O)Nc1cn(cn1)C eef54c259efa7b506e693fc664f7c7f8 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.39 CCC(=O)Nc1cnc(s1)Br 3827f9f03c72031a0265362456af9936 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.39 CCC(=O)Nc1cnc(s1)C 12ada7c380200684ec03ced12e1bac8b [0,1,0,0,0,1|2,0,0]=4 578 B11R1.39 CCC(=O)Nc1cnc(s1)S be6941c5d042b10b960243c64d6bd6c4 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.39 CCC(=O)Nc1nc(=S)ss1 bc0e552ac5a6d0eae6a4794fa3a3bda2 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.39 CCC(=O)Nc1nc(co1)Br 1dca1b7b6216b5a4cb61e514c27dd910 [0,1,0,0,0,1|0,1,0]=3 581 B11R1.39 CCC(=O)Nc1nc(co1)C 63e58ac94aa5e0a2125ca91bac76f1e8 [0,1,0,0,0,1|0,1,0]=3 582 B11R1.39 CCC(=O)Nc1nc(cs1)C 1778d2c89e4f112444dc5698c176b7a2 [0,1,0,0,0,1|0,0,0]=2 583 B11R1.39 CCC(=O)Nc1nc(ns1)Br bd463c0f0b9f03405b275e09df89d5fa [0,1,0,0,0,1|1,0,0]=3 584 B11R1.39 CCC(=O)Nc1nc(ns1)C 60d741553485ae1fc490fe6619fae87e [0,1,0,0,0,1|1,0,0]=3 585 B11R1.39 CCC(=O)Nc1ncc(o1)C 063468444c8a9b02245cb440b5c9f6c2 [0,1,0,0,0,1|0,1,0]=3 586 B11R1.39 CCC(=O)Nc1ncc(s1)C 5e5b569b297a55519b8c7acf7502ff98 [0,1,0,0,0,1|0,0,0]=2 587 B11R1.39 CCC(=O)Nc1ncc(s1)Cl a96c996cf53102ba8efa39c5d7533905 [0,1,0,0,0,1|0,0,0]=2 588 B11R1.39 CCC(=O)Nc1ncc(s1)F 92e3d22a91a028ca2a252df1c15e7ec4 [0,1,0,0,0,1|0,0,0]=2 589 B11R1.39 CCC(=O)Nc1nnc(o1)Br c4b48e5dc554d1e321ae04d26524b41c [0,1,0,0,0,1|1,1,0]=4 590 B11R1.39 CCC(=O)Nc1nnc(o1)C 887bd9ae0e503a5f725e3a25b8732dbf [0,1,0,0,0,1|1,1,0]=4 591 B11R1.39 CCC(=O)Nc1nnc(s1)C b071b68400a7b9f15ca9c4a9bf23dc91 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.39 CCC(=O)Nc1nnc(s1)S 13d425f5114c35e6a7cf53b067ba8970 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.39 CCC(C)Nc1nc(cs1)Br a41db71cee88ed582a9102237dd5c565 [0,1,0,0,0,1|1,0,1]=4 594 B11R1.39 CCC(C)Nc1nc(cs1)C c88917c8f1f4f5e9f3e4b96f29aca99c [0,1,0,0,0,1|1,0,1]=4 595 B11R1.39 CCC(C)Nc1nc(cs1)Cl 2e949d917e54053c11afed890b66393f [0,1,0,0,0,1|1,0,1]=4 596 B11R1.39 CCC(C)Nc1ncc(s1)Br 073b96b01bbb4ef2056ae998bee74526 [0,1,0,0,0,1|1,0,1]=4 597 B11R1.39 CCC(C)Nc1ncc(s1)Cl 606859fea3d47cf0d4dca9871f41f14f [0,1,0,0,0,1|1,0,1]=4 598 B11R1.39 CCC(C)Oc1nc(cs1)Br 7a6fd15558c9951b11578c5a75d48b3a [0,1,0,0,0,1|1,0,1]=4 599 B11R1.39 CCN(C)Cc1nc(cs1)Br 69e826e11336316c8ba3af03b2a82ef8 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.39 CCN(C)Cc1nc(cs1)C c4664662cd5d0ebefb0f68e94f9bd9ad [0,1,0,0,0,1|2,0,0]=4 601 B11R1.39 CCN(C)Cc1ncc(s1)Br 117df036c3783dd376703afcdbb10e16 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.39 CCN(C)Cc1ncc(s1)C 6612abbfdb1c50c03e6268784dfe9684 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.39 CCN(C)Cc1ncc(s1)Cl d5e203de67f36fc014b1e502bceed336 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.39 Cc1cnc(o1)NC(=O)CF 6e8d821de5ae2344b3edc9007b0f13f8 [0,1,0,0,0,1|1,1,0]=4 605 B11R1.39 Cc1cnc(o1)NC(=O)CO cf45786fda55be43059db3fa4c2d6d86 [0,1,0,0,0,1|1,1,0]=4 606 B11R1.39 Cc1cnc(s1)NC(=O)C=O 43595072d9e6b140e372aacd4a8f5dc3 [0,1,0,0,0,1|1,0,1]=4 607 B11R1.39 Cc1cnc(s1)NC(=O)CF cf38b39cb107d362a341778f727cc5a8 [0,1,0,0,0,1|1,0,0]=3 608 B11R1.39 Cc1coc(n1)NC(=O)CF 2729d56692ad6e884a0d5c1b97f3ce35 [0,1,0,0,0,1|1,1,0]=4 609 B11R1.39 Cc1coc(n1)NC(=O)CO 4eda2f709dca71baf16fa1a98bae21f0 [0,1,0,0,0,1|1,1,0]=4 610 B11R1.39 Cc1coc(n1)NC(=O)CS 6acfc6720944fcf59530dcfa0f305139 [0,1,0,0,0,1|1,1,0]=4 611 B11R1.39 Cc1csc(n1)NC(=O)C=O 7461fd99a714b2cc2e9192266d26ccab [0,1,0,0,0,1|1,0,1]=4 612 B11R1.39 Cc1csc(n1)NC(=O)CF e2c4f5d6b1c2a859888a67394abbf67a [0,1,0,0,0,1|1,0,0]=3 613 B11R1.39 Cc1csc(n1)NC(=O)CS e765dafa573973cf273d9bba56768869 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.39 Cc1nnc(s1)NC(=O)CF 6f5fcda8841840b8091e78fea72e67c3 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.39 Cc1nnc(s1)NC(=O)CO b6b2e306bb7757acf9c2a2a753af060e [0,1,0,0,0,1|2,0,0]=4 616 B11R1.39 Cc1nnc(s1)NC(=O)CS 305da6ae53bc9bc0ee74f3b59419f48f [0,1,0,0,0,1|2,0,0]=4 617 B11R1.39 Cc1nsc(n1)NC(=O)CF 8eb9b86ef9a5637cc13719b0fd9652da [0,1,0,0,0,1|2,0,0]=4 618 B11R1.39 O=C(CF)Nc1nc(=S)ss1 e64adfcb25775bc86ffd89c03b8be0b5 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.39 O=C(CF)Nc1nc(co1)Br 8fb69e23c5d233cadeff9f59739d80b5 [0,1,0,0,0,1|1,1,0]=4 620 B11R1.39 O=C(CF)Nc1nc(cs1)Br f8ff3ff87970eeafd4e2a79f0d82793b [0,1,0,0,0,1|1,0,0]=3 621 B11R1.39 O=C(CF)Nc1ncc(s1)Cl b629657442d4baee2c46ce32e1df7ee9 [0,1,0,0,0,1|1,0,0]=3 622 B11R1.39 O=C(CF)Nc1ncc(s1)F c8da617a6fa9de6b320713e89310b142 [0,1,0,0,0,1|1,0,0]=3 623 B11R1.39 O=C(CF)Nc1nnc(s1)S 74f6417516ab159c8e9c7bf87647c6f3 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.39 O=C(CO)Nc1ccc(s1)Br 374ad87911ee44042bef66bdd9f97334 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.39 O=C(CO)Nc1nc(=S)ss1 b96ba7a7092cd5d75b88ca073b085a60 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.39 O=C(CO)Nc1nc(co1)Br dda2b31b5338fbd67f98326ede90f3eb [0,1,0,0,0,1|1,1,0]=4 627 B11R1.39 O=C(CS)Nc1nc(=S)ss1 08dbb6be116bff12941a4dc758a1f27d [0,1,0,0,0,1|2,0,0]=4 628 B11R1.39 O=CC(=O)Nc1nc(cs1)Br d313643ef7ebc8868e5c642ed0810f67 [0,1,0,0,0,1|1,0,1]=4 629 B11R1.39 O=CC(=O)Nc1nc(cs1)Cl d3581594c83fc862b12ab23401cfc04d [0,1,0,0,0,1|1,0,1]=4 630 B11R1.39 O=CC(=O)Nc1nc(cs1)O c8cfbfaba25890c08bcc3ecdcac74ea3 [0,1,0,0,0,1|1,0,1]=4 631 B11R1.39 O=CC(=O)Nc1ncc(s1)Br 26781b926ee934c09c7b14bd9674b558 [0,1,0,0,0,1|1,0,1]=4 632 B11R1.39 O=CC(=O)Nc1ncc(s1)Cl 1d5ad60f79ac919a7fe6107f812d302f [0,1,0,0,0,1|1,0,1]=4 633 B11R1.39 O=CC(=O)Nc1ncc(s1)F dbd05dc5af5af0f96d7c327044305aab [0,1,0,0,0,1|1,0,1]=4 634 B11R1.39 O=CC(=O)Nc1ncc(s1)S 86dfef45cf7482bae7f4d47a37d326ba [0,1,0,0,0,1|1,0,1]=4 635 B11R1.84 CCC(C=O)Nc1cccs1 407c745bc8e791618dfaf91966b9a1a2 [0,1,0,0,0,1|1,0,1]=4 636 B11R1.84 CCC(C=O)Nc1ncc[nH]1 1c27db4b35502311d402f3cd4c228e94 [0,1,0,0,0,1|1,0,1]=4 637 B11R1.84 CCC(C=O)Nc1ncco1 67e244687ce451528a586d9972cae7e5 [0,1,0,0,0,1|0,1,1]=4 638 B11R1.84 CCC(C=O)Nc1nccs1 4ef0528b7e2260e86018cdc2fc528f61 [0,1,0,0,0,1|0,0,1]=3 639 B11R1.84 CCC(C=O)Nc1ncns1 df80fe2a7889c057633561001ee330de [0,1,0,0,0,1|1,0,1]=4 640 B11R1.84 CCC(C=O)Nc1nncs1 7ba0b5335746c78d0da68ea74d68e15f [0,1,0,0,0,1|1,0,1]=4 641 B11R1.84 CCC(C=O)Oc1cccs1 bd02328a2639afb2aff9ff7abebb3a5a [0,1,0,0,0,1|1,0,1]=4 642 B11R1.84 CCC(C=O)Oc1nccs1 98b797450d823eb6c64c6517f2afa2ba [0,1,0,0,0,1|0,0,1]=3 643 B11R1.84 CCC(C=O)Oc1nncs1 68a4223643de043af6c8078dae0ffde9 [0,1,0,0,0,1|1,0,1]=4 644 B11R1.84 CCC(CC)Nc1nccs1 6830cdff3c2f2e92f394a8a6b96040e0 [0,1,0,0,0,1|1,0,1]=4 645 B11R1.84 CCC(CC)Oc1nccs1 1f82729e6f468623f79f90c2456307dc [0,1,0,0,0,1|1,0,1]=4 646 B11R1.84 CCC(CO)Nc1nccs1 f2d0a5c746a524be2bee9103eda54825 [0,1,0,0,0,1|0,0,2]=4 647 B11R1.84 CCN(C=O)Cc1cccs1 d06b0bbdea804c252b77f60c0552dd3b [0,1,0,0,0,1|2,0,0]=4 648 B11R1.84 CC[C@@H](CO)Nc1nccs1 2bb44050664aa0b95595948822d2f31e [0,1,0,0,0,1|0,0,2]=4 649 B11R1.84 CC[C@H](CO)Nc1nccs1 11b185952ee5f74895c077845f51ef5b [0,1,0,0,0,1|0,0,2]=4 650 B11R1.228 CCC(=O)Nc1nocc1C d67f377ce50b68bddb2e8a547d1110c6 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.228 CCC(=O)Nc1scnc1C 21a80faa0f046d24ad27a74a70c85d93 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.33 CCNC(C)(C)c1nccs1 22e1748edc609aba33d7ffe265124801 [0,2,0,0,0,0|1,0,1]=4 653 B11R1.33 CCOC(C)(C)c1nccs1 d65ad81a1a20bdecd340e8e65f7e3c28 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.2 C#CCN(CC)c1nccs1 840586f1b075c572748163bfcf7cfffd [0,2,0,0,0,0|2,0,0]=4 655 B11R1.2 C=CCN(CC)c1nccs1 6f48b267339018c5930c3b7eb5c0e0f0 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.2 CCC(NC=O)c1cccs1 4619968d1ad7911654c874b0696a6526 [0,2,0,0,0,0|1,0,1]=4 657 B11R1.2 CCCN(CC)c1nccs1 80e9aa16946b0e91ec22eece0baca7c2 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.2 CCN(CC#N)c1nccs1 b1f6008fd678b6246b171f133346f9b5 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.2 CCN(CC=O)c1nccs1 dc6704ee2b9f717824a9a56cb8b03fc1 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.2 CCN(CCF)c1nccs1 fefb402e8c4eedf949601f153543b1e0 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.2 CCN(CCO)c1nccs1 6bfc1baf117d889733bf33b092c0f6ba [0,2,0,0,0,0|1,0,1]=4 662 B11R1.2 CCN(CCS)c1nccs1 bcd372add8e850beb6c80513988d7137 [0,2,0,0,0,0|1,1,0]=4 663 B11R1.2 CCN(COC)c1nccs1 8b67a4cdcc22de615ad43125e1ab9bcc [0,2,0,0,0,0|1,0,1]=4 664 B11R1.2 CCN(CSC)c1nccs1 a6551d71d100d2a5c20a14b438a5eff9 [0,2,0,0,0,0|1,1,0]=4 665 B11R1.2 O=CN(CCO)c1nccs1 f21687732428922b0ab239695ff26982 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.2 OCCN(CF)c1nccs1 a9e96058465c30648689be3ab7089cfc [0,2,0,0,0,0|2,0,0]=4 667 B11R1.2 OCCN(CO)c1nccs1 27824e698eb8a99937955758d129b3c1 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.11 CCN(C=O)c1nnc(s1)S 83121d166ae01370a0cda7e44706f843 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.298 CCN(C(=O)C)c1nccs1 5ccfdf6a73048790564efab216a4287f [0,2,0,0,0,0|1,0,0]=3 670 B11R1.298 CCN(c1nccs1)C(C)C a7b6155b209a40e96620449e0ade15bc [0,2,0,0,0,0|2,0,0]=4 671 B11R1.15 CCNC(C)c1nc(cs1)Br 6440d58009be8ba9617c47dfadaf229e [0,2,0,0,0,0|1,0,1]=4 672 B11R1.15 CCNC(C)c1nc(cs1)C c0800284df9a81c4a3d7a957648780a0 [0,2,0,0,0,0|1,0,1]=4 673 B11R1.15 CCN[C@@H](C)c1ncc(s1)Br a3dbca415037c1a8555c39ef42e931e5 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.15 CCOC(C)c1nc(cs1)Br c69a76957d01974c79bb219df10aa56f [0,2,0,0,0,0|1,0,1]=4 675 B11R1.15 CCOC(C)c1nc(cs1)C 3ce9fdada1dccfb943097dfa4a220595 [0,2,0,0,0,0|1,0,1]=4 676 B11R1.15 COCN(C)c1nc(cs1)C 2603e1f268c27e170c641f0fa17e93d4 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.15 COCN(C)c1ncc(s1)Br 0080813b3404366d73d1185d18ebd4ab [0,2,0,0,0,0|2,0,0]=4 678 B11R1.15 COCN(C)c1ncc(s1)C da5a1b7b7412ff076f5174dd65a16e3c [0,2,0,0,0,0|2,0,0]=4 679 B11R1.15 CSCN(C)c1nc(cs1)C f2fd45ad57b4229d3b9f83e2d7d8598a [0,2,0,0,0,0|2,0,0]=4 680 B11R1.15 CSCN(C)c1ncc(s1)C c34885014f5e32722b65454932f8cd49 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.15 Cc1cnc(s1)C(=O)NC#N c46b6b8502e21dd202efa440333bcd4a [0,2,0,0,0,0|1,0,1]=4 682 B11R1.15 Cc1cnc(s1)N(C)CCO 5913e20be927220caa66db19fd76f223 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.15 Cc1cnc(s1)N(C)CCS 9396ba5e441c48dd26969e15fb7eb78d [0,2,0,0,0,0|2,0,0]=4 684 B11R1.15 Cc1csc(n1)C(=O)NC#N 8af141c2b6bf631c4dbef025f1297267 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.15 Cc1csc(n1)N(C)CCS f9f14094c7c85c12e8639ce4474044bf [0,2,0,0,0,0|2,0,0]=4 686 B11R1.15 N#CNC(=O)c1nc(cs1)Br 508380a6bcf3f54ecc6aa7006bb6b869 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.15 N#CNC(=O)c1nc(cs1)Cl ae14383d485acc702abc6b881b7b4408 [0,2,0,0,0,0|1,0,1]=4 688 B11R1.15 N#CNC(=O)c1ncc(s1)Br 9bdd26e52e028103b798c0ae96b3e394 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.29 C#CCCN(C)c1nccs1 5e52a7ecf5741fb2438623eaaa2ea0ee [0,2,0,0,0,0|2,0,0]=4 690 B11R1.29 C#CCNC(=O)c1cccs1 a73f20fac8a22321b114b7ca12fcbd41 [0,2,0,0,0,0|1,0,1]=4 691 B11R1.29 C#CCNC(=O)c1ncco1 de0ccbaabc1e72bd169d003147748fc4 [0,2,0,0,0,0|0,1,1]=4 692 B11R1.29 C#CCNC(=O)c1nccs1 afef4eb815efcc2a118f1b7c511872ea [0,2,0,0,0,0|0,0,1]=3 693 B11R1.29 C#CCNC(=O)c1ncns1 42705dba6acf3596dd0c7d9a0d14baa9 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.29 C/C=C/CN(C)c1nccs1 bae88d01dfb62e769e35014c9b5e59b9 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.29 C/C=C\CN(C)c1nccs1 358f5fb9c77d809481523ae97bae25eb [0,2,0,0,0,0|2,0,0]=4 696 B11R1.29 C=CCCN(C)c1nccs1 7a1c9a984f7ef8c5a118e30c12ee8a0f [0,2,0,0,0,0|2,0,0]=4 697 B11R1.29 CC(NCCF)c1nccs1 a9390c6b76c77108c9d0f59b6b9a8672 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.29 CC(NCCO)c1nccs1 061b4bc12d919dc11c76647f8451eef2 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.29 CC(NCCS)c1nccs1 e65221f3f4cd31939cec4c8e1937cfbf [0,2,0,0,0,0|1,0,1]=4 700 B11R1.29 CC(OCCF)c1nccs1 1d5bdfa2a62eb0e26b99e9d059de42a2 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.29 CC(OCCS)c1nccs1 a3c516f37d72e85a12b04145cca913e1 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.29 CCCCN(C)c1nccs1 38174c21b3f5686eb8777300f990dbe9 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,2,0,0,0,0|1,1,0]=4 704 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.29 CCCNC(=O)c1ccns1 9d9271c488c7abd875ce72ed3cf44ba5 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.29 CCCNC(=O)c1ccon1 b0dc163d9fefb7a716284cef4e030748 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.29 CCCNC(=O)c1ccsn1 e8c0b20cf619db44cfbb541f25483c83 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.29 CCCNC(=O)c1cncs1 e91fe99ebdc2a4d8795f2723108d1eae [0,2,0,0,0,0|2,0,0]=4 709 B11R1.29 CCCNC(=O)c1cocn1 2575f7f0f3b0833b3d960e27221e8713 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.29 CCCNC(=O)c1cscn1 070671f79af8ad71ff8934158ae62037 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.29 CCCNC(=O)c1ncco1 ae748957f37f8038ea8711a85c12e485 [0,2,0,0,0,0|0,1,0]=3 712 B11R1.29 CCCNC(=O)c1nccs1 b508beeea12b29e1771eeed4bc4b32ee [0,2,0,0,0,0|0,0,0]=2 713 B11R1.29 CCCNC(=O)c1ncns1 3fe9acd037e6ed9b672559366c86ae91 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.29 CCCNC(=O)c1ncon1 37f6c57674c11383df86f37ceac27f9c [0,2,0,0,0,0|2,0,0]=4 715 B11R1.29 CCCNC(=O)c1nnco1 1cfa22074c4ff364b7ff2ab43dab0a5f [0,2,0,0,0,0|1,1,0]=4 716 B11R1.29 CCCNC(C)c1nccs1 4b153d61787ddbfb65149bddfbbc6838 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.29 CCCN[C@@H](C)c1nccs1 984d86b0b6ea319f15a29a69c1546559 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.29 CCCOC(C)c1nccs1 326ac3f09a63a9ce63f16659a3405401 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.29 CCCO[C@@H](C)c1nccs1 5769645f545128b436ab29090befb3b8 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.29 CCCO[C@H](C)c1nccs1 661662ff2b4d6076cceaec1a6e6d6f54 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.29 CCOCC(=O)c1ccco1 914a75ebe3137d0727414a3562da2864 [0,2,0,0,0,0|1,1,0]=4 722 B11R1.29 CCOCN(C)c1nccs1 8c5785ff7e2cfe229ae231a2c4aff8fb [0,2,0,0,0,0|2,0,0]=4 723 B11R1.29 CN(CCC#N)c1nccs1 54f575c84f4572e38b2c7ad70ce2e6b3 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.29 CN(CCC=O)c1nccs1 d40e995f151870b802d32e82ea1abaa6 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.29 CN(CCCF)c1nccs1 7527a74b97fc6611c986deabef3e8eaf [0,2,0,0,0,0|2,0,0]=4 726 B11R1.29 CN(CCCO)c1nccs1 fb488898a0f112257445f187267b9889 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.29 CN(CCCS)c1nccs1 b5904f6623e150d01da99ac09b8b766e [0,2,0,0,0,0|2,0,0]=4 728 B11R1.29 COCCN(C)c1nccs1 e81e66ddf4db630313559d7dae727b54 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.29 COCNC(C)c1nccs1 4ac2f429f352d7d89527a9521f5f75d2 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.29 COCN[C@@H](C)c1nccs1 359eecd7afbaa21d7da66cb1024d708f [0,2,0,0,0,0|1,0,1]=4 731 B11R1.29 COCOC(C)c1nccs1 4374ebef1f8328fb0d703198b40881c4 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.29 COCO[C@@H](C)c1nccs1 337b71eb353f8d9406eba337328547ed [0,2,0,0,0,0|1,0,1]=4 733 B11R1.29 COCO[C@H](C)c1nccs1 4592208e85e9ce6ca3c7b849092d3ecb [0,2,0,0,0,0|1,0,1]=4 734 B11R1.29 CSCCN(C)c1nccs1 290647de28de839d5bc5b1ad97fadb31 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.29 CSCNC(C)c1nccs1 27113958d7c7f5b14785b214e2993d21 [0,2,0,0,0,0|1,0,1]=4 736 B11R1.29 CSCN[C@@H](C)c1nccs1 e0603bc5a4249519a09bf8dea39a3b6f [0,2,0,0,0,0|1,0,1]=4 737 B11R1.29 CSCOC(C)c1nccs1 c125740bbee5856cf13fad64df221f28 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.29 CSCO[C@@H](C)c1nccs1 f14813378b2f9630e7614d5b8d9e1c8e [0,2,0,0,0,0|1,0,1]=4 739 B11R1.29 CSCO[C@H](C)c1nccs1 0003ee1d8ff47745ce6d125181bda909 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.29 C[C@@H](OCCF)c1nccs1 8c2c7158e52ceb0c3ed0f943df174a59 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.29 C[C@@H](OCCS)c1nccs1 c52f7268e97aea46cf9de07a575b3c1f [0,2,0,0,0,0|1,0,1]=4 742 B11R1.29 C[C@H](NCCF)c1nccs1 3ea4937b9fe08bea1fec5cecb86ddbd1 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.29 C[C@H](NCCO)c1nccs1 761454d5cd5312dff8ee06f06fc3a6a4 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.29 C[C@H](NCCS)c1nccs1 03a9524f03de9ee1ad65e0f8d7402e7e [0,2,0,0,0,0|1,0,1]=4 745 B11R1.29 C[C@H](OCCF)c1nccs1 cc3040753f2bf4ce0a9510e40f2f1de7 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.29 C[C@H](OCCS)c1nccs1 e4fd5e959d2e7f3d85d4adb07900dbd9 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.29 N#CCNC(=O)c1cccs1 13176c523a2d4c2196241743e91c74ce [0,2,0,0,0,0|1,0,1]=4 748 B11R1.29 N#CCNC(=O)c1ncco1 f1e9f1f9a677f8bea34273934174e41a [0,2,0,0,0,0|0,1,1]=4 749 B11R1.29 N#CCNC(=O)c1nccs1 b214a2f54b6dcf7d656acd0e96077be8 [0,2,0,0,0,0|0,0,1]=3 750 B11R1.29 N#CCNC(=O)c1ncns1 1743641870486ca7bba000d10b898f69 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.29 N#CNCC(=O)c1cccs1 34e482cca636b2327c3ed850acb09e0f [0,2,0,0,0,0|1,0,1]=4 752 B11R1.29 N#CNCC(=O)c1ncco1 1d5609bccdedd9817f4ace835a86f5a0 [0,2,0,0,0,0|0,1,1]=4 753 B11R1.29 N#CNCC(=O)c1nccs1 63b5836e35f527c82553f99b1f33603c [0,2,0,0,0,0|0,0,1]=3 754 B11R1.29 O=C(COCF)c1ccco1 17b6d760525bf4481cd14a7fa5054d49 [0,2,0,0,0,0|1,1,0]=4 755 B11R1.29 O=C(NCCBr)c1ccco1 a0a02576173476b1d0f57aa98df99ffa [0,2,0,0,0,0|1,1,0]=4 756 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,2,0,0,0,0|1,0,0]=3 757 B11R1.29 O=C(NCCBr)c1cncs1 60fbde55268ffca5c3be8cf756de24e1 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.29 O=C(NCCBr)c1cocn1 cfd1e1548d98aefe311ff6b4486d7abf [0,2,0,0,0,0|2,0,0]=4 759 B11R1.29 O=C(NCCBr)c1cscn1 7caf1113a205fa3a768a4f60a6dfcaca [0,2,0,0,0,0|2,0,0]=4 760 B11R1.29 O=C(NCCBr)c1ncco1 ddfe2bffa9dbf30bfc49d06c78a41a13 [0,2,0,0,0,0|0,1,0]=3 761 B11R1.29 O=C(NCCBr)c1nccs1 2f66e8cff02a375147879a0050d7c8d9 [0,2,0,0,0,0|0,0,0]=2 762 B11R1.29 O=C(NCCF)c1ccco1 3debe2a549207ec0880069641356d391 [0,2,0,0,0,0|1,1,0]=4 763 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,2,0,0,0,0|1,0,0]=3 764 B11R1.29 O=C(NCCF)c1ccns1 e5c5a111f8976524a3b3e3fbbf7f1396 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.29 O=C(NCCF)c1ccon1 142d3c284a476383841b2cf6a9d2d225 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.29 O=C(NCCF)c1ccsn1 173f0ef87207bc7ab11a877afb1d6ce2 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.29 O=C(NCCF)c1cncs1 383955fe88e0dc0fa7d36d083e3465fa [0,2,0,0,0,0|2,0,0]=4 768 B11R1.29 O=C(NCCF)c1cocn1 b5ee11bcd5c13814fed2a82d160c97ff [0,2,0,0,0,0|2,0,0]=4 769 B11R1.29 O=C(NCCF)c1cscn1 ab71382f1a3a031fd30aabc233b27d99 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.29 O=C(NCCF)c1ncco1 7b4a48b6dd9dac5dc75cb2f84f090566 [0,2,0,0,0,0|0,1,0]=3 771 B11R1.29 O=C(NCCF)c1nccs1 77eb2769675c943061834add83081ee5 [0,2,0,0,0,0|0,0,0]=2 772 B11R1.29 O=C(NCCF)c1ncns1 edcdab3b789c9c3e29c5d9c6c6933a51 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.29 O=C(NCCF)c1ncon1 a3ade5f8f2cb2fd58f119e274a805026 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.29 O=C(NCCF)c1nnco1 d603f56e76fcc4e867d82d6d72188aa2 [0,2,0,0,0,0|1,1,0]=4 775 B11R1.29 O=C(NCCI)c1ccco1 5f8d286413b9d386aa5f26a345db8e0d [0,2,0,0,0,0|1,1,0]=4 776 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,2,0,0,0,0|1,0,0]=3 777 B11R1.29 O=C(NCCI)c1ccns1 a1da8b64574cd4b7b6848bb7562cdcca [0,2,0,0,0,0|2,0,0]=4 778 B11R1.29 O=C(NCCI)c1ccon1 80dc1be028b5b257ddea035c7e53ae34 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.29 O=C(NCCI)c1ccsn1 f4d53a643298fdbd6d91d796a4b8a023 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.29 O=C(NCCI)c1cncs1 3a3d795952c46b3daef9a5b6d68fa412 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.29 O=C(NCCI)c1cocn1 2ed053c043c561dc6a809a5ccdecafd0 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.29 O=C(NCCI)c1cscn1 f2560ca5efe03971012bed9b84485591 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.29 O=C(NCCI)c1ncco1 93d34a67e692c1c193eb6a83e00f8535 [0,2,0,0,0,0|0,1,0]=3 784 B11R1.29 O=C(NCCI)c1nccs1 036a52a19aa67d410084de031cedb749 [0,2,0,0,0,0|0,0,0]=2 785 B11R1.29 O=C(NCCI)c1ncns1 f0fc715908ec5f6add058c74954919e9 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.29 O=C(NCCI)c1ncon1 9b7c3ba1c4ad4c329ea52db110a1bd0b [0,2,0,0,0,0|2,0,0]=4 787 B11R1.29 O=C(NCCI)c1nnco1 a77565eb82e1fabc775f60879b597fe7 [0,2,0,0,0,0|1,1,0]=4 788 B11R1.29 O=C(NCCO)c1ccco1 d1dff333f1685197c7717060e53f80c8 [0,2,0,0,0,0|1,1,0]=4 789 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,2,0,0,0,0|1,0,0]=3 790 B11R1.29 O=C(NCCO)c1ccns1 fd508a116e24c5b4a40289fb39324811 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.29 O=C(NCCO)c1ccon1 45d014ed584f9586c3feab142f6e4df6 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.29 O=C(NCCO)c1ccsn1 a0234999d4dd72b14e944f77fc6f636f [0,2,0,0,0,0|2,0,0]=4 793 B11R1.29 O=C(NCCO)c1cncs1 6d1cbd4f329d93ed8f2059768f90065d [0,2,0,0,0,0|2,0,0]=4 794 B11R1.29 O=C(NCCO)c1cocn1 253f25f99125f7addb5100512e728c29 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.29 O=C(NCCO)c1cscn1 4642e0cbf6ca626921b3a494e379793b [0,2,0,0,0,0|2,0,0]=4 796 B11R1.29 O=C(NCCO)c1ncco1 a7fbe4f9da9c46d9cd52676527965991 [0,2,0,0,0,0|0,1,0]=3 797 B11R1.29 O=C(NCCO)c1nccs1 b562304a528adb16b34e4b9da18c2c5c [0,2,0,0,0,0|0,0,0]=2 798 B11R1.29 O=C(NCCO)c1ncns1 0de6b8ffb33142561e4d6b96617bbbbf [0,2,0,0,0,0|1,0,0]=3 799 B11R1.29 O=C(NCCO)c1ncon1 56524c7a28f7e75373c10782baedbb30 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.29 O=C(NCCO)c1nnco1 87cfe7410943364344cb8a0b009ccd45 [0,2,0,0,0,0|1,1,0]=4 801 B11R1.29 O=C(NCCS)c1ccco1 32077be75d73ebb14fb9991bd123b7cd [0,2,0,0,0,0|1,1,0]=4 802 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,2,0,0,0,0|1,0,0]=3 803 B11R1.29 O=C(NCCS)c1ccns1 974cf9e0fce0d5e62fc5a8441216e482 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.29 O=C(NCCS)c1ccon1 bb8f019eedfe0945ac17cd0c19d101a2 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.29 O=C(NCCS)c1ccsn1 84e727b1a1c56a72cd14fe80aa54ebe1 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.29 O=C(NCCS)c1cncs1 34995d48978f02a0be1d0e1d24782c87 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.29 O=C(NCCS)c1cocn1 95182173a49ebb800618c8b1511ab721 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.29 O=C(NCCS)c1cscn1 1ee9171f94169aebbe309486fdef8607 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.29 O=C(NCCS)c1ncco1 2bf2edf52d3025c34621d30041d2a131 [0,2,0,0,0,0|0,1,0]=3 810 B11R1.29 O=C(NCCS)c1nccs1 d2c72eed24ffb5227db504a76a4e3581 [0,2,0,0,0,0|0,0,0]=2 811 B11R1.29 O=C(NCCS)c1ncns1 01a57a547a9c9ccea389735abc7a2503 [0,2,0,0,0,0|1,0,0]=3 812 B11R1.29 O=C(NCCS)c1ncon1 0fa0c0d0b55570823a53fdc8045e3b62 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.29 O=C(NCCS)c1nnco1 5464e9d7407318beb6e01b232d3f8146 [0,2,0,0,0,0|1,1,0]=4 814 B11R1.77 C=C(C)CN(C)c1nccs1 9776fa31603018733ed4b66f193ccd00 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.77 CC(C)CN(C)c1nccs1 0356b181785727c1d271923f6f0393d2 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.77 CC(C)NC(C)c1nccs1 5ff3a4aad80f5a02a7e202845f06bdf6 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.77 CC(C)N[C@@H](C)c1nccs1 06a4993970b77ba60d112c10d386366e [0,2,0,0,0,0|1,0,1]=4 818 B11R1.77 CC(C)OC(C)c1nccs1 518db131c476bcb66aeb2ade64d7ae4f [0,2,0,0,0,0|1,0,1]=4 819 B11R1.77 CC(C)O[C@@H](C)c1nccs1 76e9fc6b60eae9460f35a14e8c99fcbc [0,2,0,0,0,0|1,0,1]=4 820 B11R1.77 CC(C)O[C@H](C)c1nccs1 4c1e4d94445d9ece80ff72b5d5b1d00a [0,2,0,0,0,0|1,0,1]=4 821 B11R1.77 CC(O)CN(C)c1nccs1 f60aa290a31bbdbf17c24bd8c33b7d38 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.77 CN(C)CN(C)c1nccs1 dfe45078d9387b24ebdc66d9901c3ee1 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.77 CN(CC(F)F)c1nccs1 b8d61fbd62ddaf71b5ccc3ef241b9f6b [0,2,0,0,0,0|2,0,0]=4 824 B11R1.77 C[C@H](O)CN(C)c1nccs1 9c226de93c2fb35fcfae98c839fd1b98 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.226 CCN(C)c1nc(c(s1)C)Br 83b1cab0539cfe47cb25d05f91533b60 [0,2,0,0,0,0|2,0,0]=4 826 B11R2.5 CC1CC1Nc2nccs2 35db904ad8c85e2fe57090415dd4e002 [0,0,0,1,0,1|1,0,1]=4 827 B11R2.237 c1csc(n1)CN2CCC2 437e6047eb6b0af04795bdafe485e1ee [0,0,0,1,0,1|2,0,0]=4 828 B11R2.237 c1csc(n1)OC2CCC2 14fc5a83b3b5ad432bb9f5b067995817 [0,0,0,1,0,1|1,0,1]=4 829 B11R2.388 CC1(CC1)Nc2nccs2 fe230f85df15cb58a008abbade84ab85 [0,0,0,1,0,1|1,0,1]=4 830 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,1|2,0,0]=4 831 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,1|2,0,0]=4 832 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,0,0,0,0,1|2,0,0]=4 833 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,0,0,0,1|2,0,0]=4 834 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,0,0,0,0,1|2,0,0]=4 835 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [1,0,0,0,0,1|2,0,0]=4 836 B9R1.8 CCNc1nccnn1 de6c00a96ec865d94fb0210d389d00df [1,0,0,0,0,1|2,0,0]=4 837 B9R1.8 CCNc1ncncn1 95af6b7d0adfcc03c2c5620567ce30a7 [1,0,0,0,0,1|2,0,0]=4 838 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,1|2,0,0]=4 839 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,1|2,0,0]=4 840 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,0,0,0,0,1|2,0,0]=4 841 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [1,0,0,0,0,1|2,0,0]=4 842 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,2|1,0,0]=3 843 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,2|1,0,0]=3 844 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,0,0,0,0,2|1,0,0]=3 845 B11R1.40 CCC(=O)Nc1ccncn1 b77f302a19ddecbb1a61c216faedf774 [0,0,0,0,0,2|1,0,0]=3 846 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,0,0,0,0,2|1,0,0]=3 847 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,0,0,0,0,2|2,0,0]=4 848 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,0,0,0,0,2|2,0,0]=4 849 B11R1.40 O=C(CF)Nc1cccnn1 956ee4b8acdca6d1b3b267a9d3c5501e [0,0,0,0,0,2|2,0,0]=4 850 B11R1.40 O=C(CF)Nc1ccncn1 a44111f60632a2eea12e2d1d61934c5a [0,0,0,0,0,2|2,0,0]=4 851 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,0,0,0,0,2|2,0,0]=4 852 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,0,0,0,0,2|2,0,0]=4 853 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,0,0,0,0,2|2,0,0]=4 854 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,0,0,0,0,2|2,0,0]=4 855 B11R1.40 O=C(CO)Nc1ccncn1 1ec35e9ab589eb6ea004d772ff8dd3ef [0,0,0,0,0,2|2,0,0]=4 856 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,0,0,0,0,2|2,0,0]=4 857 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,0,0,0,0,2|2,0,0]=4 858 B11R1.40 O=C(CS)Nc1cccnn1 41f91dff9cbbc670e95242818cb16a37 [0,0,0,0,0,2|2,0,0]=4 859 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,0,0,0,0,2|2,0,0]=4 860 B11R1.25 C#CC(=O)NCc1nccs1 101708ac729868a1e172e22fbec0f20d [0,0,0,0,0,2|0,0,2]=4 861 B11R1.25 C=C(CC)CNc1cccs1 691e4bd042ab397e632b12f7150dd97e [0,0,0,0,0,2|2,0,0]=4 862 B11R1.25 C=C(CC)CNc1ncc[nH]1 2818ec4bf9e43fb02c1a54e3cf91afd0 [0,0,0,0,0,2|2,0,0]=4 863 B11R1.25 C=C(CC)CNc1ncco1 d5dc11050358a6a8645d73fc23371cd5 [0,0,0,0,0,2|1,1,0]=4 864 B11R1.25 C=C(CC)CNc1nccs1 46a373964fe9e5211ac4b72c369f2b12 [0,0,0,0,0,2|1,0,0]=3 865 B11R1.25 C=C(CC)CNc1ncns1 5157959927bebbd2d1525458257f8c08 [0,0,0,0,0,2|2,0,0]=4 866 B11R1.25 C=C(CC)CNc1nncs1 8e1d8439bfa93199dcdd90a8e6001513 [0,0,0,0,0,2|2,0,0]=4 867 B11R1.25 C=C(CC)COc1nccs1 b0827b35a225aa870ff2bd39ea09b753 [0,0,0,0,0,2|1,0,0]=3 868 B11R1.25 C=C(CC)COc1nncs1 9b491da034a4d110162ea742a8c5485d [0,0,0,0,0,2|2,0,0]=4 869 B11R1.25 C=C(CNc1nccs1)OC 3ab40b8fa48ff6704fd28e617281dc9c [0,0,0,0,0,2|2,0,0]=4 870 B11R1.25 C=C(CO)CNc1nccs1 9e0eaf6ba51c0dd6d1fae925ea16afa0 [0,0,0,0,0,2|2,0,0]=4 871 B11R1.25 C=C(COc1nccs1)OC 9478be655a2542e49f4e9b995ad495d0 [0,0,0,0,0,2|2,0,0]=4 872 B11R1.25 C=CC(=O)NCc1nccs1 7005d89c57b25b9cf903d6d8586382c5 [0,0,0,0,0,2|0,0,2]=4 873 B11R1.25 CCC(=O)CNc1cc[nH]n1 e997c6416866c8245ba22b3f18379c2e [0,0,0,0,0,2|2,0,0]=4 874 B11R1.25 CCC(=O)CNc1cccs1 b4fbace754947742811c99821187431d [0,0,0,0,0,2|1,0,0]=3 875 B11R1.25 CCC(=O)CNc1ccns1 85fbab8f51c9456997810486e8fd7296 [0,0,0,0,0,2|2,0,0]=4 876 B11R1.25 CCC(=O)CNc1ccon1 87768a16d4e5a1881f477c6199bf85a0 [0,0,0,0,0,2|2,0,0]=4 877 B11R1.25 CCC(=O)CNc1cncs1 6c4daeb0baf3bb577a1698df3aadcc2a [0,0,0,0,0,2|2,0,0]=4 878 B11R1.25 CCC(=O)CNc1cocn1 1210b9cc4362ce824421d62a1eadb08f [0,0,0,0,0,2|2,0,0]=4 879 B11R1.25 CCC(=O)CNc1cscn1 a30a56d95073ebde8e56e9f8a798b1f0 [0,0,0,0,0,2|2,0,0]=4 880 B11R1.25 CCC(=O)CNc1nc[nH]n1 eb647ec40d9a73d955c80adcbfa21d3f [0,0,0,0,0,2|2,0,0]=4 881 B11R1.25 CCC(=O)CNc1ncc[nH]1 8e64a0392ed2efd287d7f64a294011d7 [0,0,0,0,0,2|1,0,0]=3 882 B11R1.25 CCC(=O)CNc1ncco1 76440fc14e6f7ad0dd7140ac3ef610d7 [0,0,0,0,0,2|0,1,0]=3 883 B11R1.25 CCC(=O)CNc1nccs1 f96c22ed9aa1e85023b846bc3829aa18 [0,0,0,0,0,2|0,0,0]=2 884 B11R1.25 CCC(=O)CNc1ncns1 a9d474130007a550ec37d5ddb936066a [0,0,0,0,0,2|1,0,0]=3 885 B11R1.25 CCC(=O)CNc1ncon1 d7f8c54c52010c946377820c52737d45 [0,0,0,0,0,2|2,0,0]=4 886 B11R1.25 CCC(=O)CNc1ncsn1 701c19e2dd65bf19a51674abdb080d51 [0,0,0,0,0,2|2,0,0]=4 887 B11R1.25 CCC(=O)CNc1nnco1 1b60e51b86a718f4cadad6e4f220acc9 [0,0,0,0,0,2|1,1,0]=4 888 B11R1.25 CCC(=O)CNc1nncs1 d5123f43be9bf6972bcdff4b848fe5b0 [0,0,0,0,0,2|1,0,0]=3 889 B11R1.25 CCC(=O)CNc1nnns1 2d7b85e9a39c1835aa3c542033319dfd [0,0,0,0,0,2|2,0,0]=4 890 B11R1.25 CCC(=O)COc1c[nH]cn1 ebbdc63684d5436c52d4180c6f23caed [0,0,0,0,0,2|2,0,0]=4 891 B11R1.25 CCC(=O)COc1ccco1 84a63c846c70eaac9456a85969f85a7b [0,0,0,0,0,2|1,1,0]=4 892 B11R1.25 CCC(=O)COc1cccs1 62a1dd7ee9a489d60b74777043a9f2b4 [0,0,0,0,0,2|1,0,0]=3 893 B11R1.25 CCC(=O)COc1nccs1 7db71ad47fd7728c3ddad7ba378ac6b5 [0,0,0,0,0,2|0,0,0]=2 894 B11R1.25 CCC(=O)COc1nncs1 820623a549570cb65dac93659e0e3a6e [0,0,0,0,0,2|1,0,0]=3 895 B11R1.25 CCC(=O)COn1cccn1 9a15b8909c9aa171ac194e49060548a6 [0,0,0,0,0,2|2,0,0]=4 896 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [0,0,0,0,0,2|1,1,0]=4 897 B11R1.25 CCC(=O)NCc1cccs1 6c557a7153df782ceae55abb6bb418b3 [0,0,0,0,0,2|1,0,0]=3 898 B11R1.25 CCC(=O)NCc1ccns1 c9819aa535efeca49d7cabc83ef3ae5b [0,0,0,0,0,2|2,0,0]=4 899 B11R1.25 CCC(=O)NCc1ccon1 6366e92ed1a88ce0e764c86b71f0715e [0,0,0,0,0,2|2,0,0]=4 900 B11R1.25 CCC(=O)NCc1ccsn1 936b35ef40f1061cb499b9d85b850543 [0,0,0,0,0,2|2,0,0]=4 901 B11R1.25 CCC(=O)NCc1cncs1 642bc0d4cafddf9cfcfcd52e8a1581c9 [0,0,0,0,0,2|2,0,0]=4 902 B11R1.25 CCC(=O)NCc1cocn1 3cd8317583d3b66432aef148bb9d4668 [0,0,0,0,0,2|2,0,0]=4 903 B11R1.25 CCC(=O)NCc1cscn1 bf38b5d479d0b75d3c0776e9b580e1e0 [0,0,0,0,0,2|2,0,0]=4 904 B11R1.25 CCC(=O)NCc1ncco1 e578991323529f456c684a1a876e4365 [0,0,0,0,0,2|0,1,0]=3 905 B11R1.25 CCC(=O)NCc1nccs1 ef8f755cf84c310f41b86bcd4a497d12 [0,0,0,0,0,2|0,0,0]=2 906 B11R1.25 CCC(C)CNc1nccs1 9a650a0be5c9d2f1d733cccfe8b54c36 [0,0,0,0,0,2|1,0,1]=4 907 B11R1.25 CCC(C)COc1nccs1 534a5123408a807e859f19cf7b5354b2 [0,0,0,0,0,2|1,0,1]=4 908 B11R1.25 CCC(C)NCc1nccs1 f1806a38612384d531431fbb92493421 [0,0,0,0,0,2|1,0,1]=4 909 B11R1.25 CCC(C)OCc1nccs1 d5b27e792ce284504f9f4dced85178ec [0,0,0,0,0,2|1,0,1]=4 910 B11R1.25 CCC(O)CNc1nccs1 19df48c4da5478fe504cd24a1465b4e0 [0,0,0,0,0,2|0,0,2]=4 911 B11R1.25 CC[C@@H](C)CNc1nccs1 86e4ed310c9b665501173f790eb317b4 [0,0,0,0,0,2|1,0,1]=4 912 B11R1.25 CC[C@@H](C)COc1nccs1 0f0cba1ec56fc9fe075c3ad4382f1654 [0,0,0,0,0,2|1,0,1]=4 913 B11R1.25 CC[C@@H](C)NCc1nccs1 3696c22674463bf4a1fc394b63b8e0e2 [0,0,0,0,0,2|1,0,1]=4 914 B11R1.25 CC[C@@H](C)OCc1nccs1 b635d6b73497b300b93deccd1879dff5 [0,0,0,0,0,2|1,0,1]=4 915 B11R1.25 CC[C@@H](O)CNc1nccs1 363bddd81469c5defd006f53566f7e9f [0,0,0,0,0,2|0,0,2]=4 916 B11R1.25 CC[C@H](C)CNc1nccs1 5999010e82803f13c7c51e869e43576e [0,0,0,0,0,2|1,0,1]=4 917 B11R1.25 CC[C@H](C)COc1nccs1 4351045ddfb572a1de0480c3f9f67325 [0,0,0,0,0,2|1,0,1]=4 918 B11R1.25 CC[C@H](C)NCc1nccs1 8f56052b04c82fa642a57b186989db05 [0,0,0,0,0,2|1,0,1]=4 919 B11R1.25 CC[C@H](C)OCc1nccs1 61b9f5f48e5d78c76237e2a5cbc8d384 [0,0,0,0,0,2|1,0,1]=4 920 B11R1.25 CNC(=O)CNc1cccs1 6f087d70dc1595761c626ef8cc8ed2e1 [0,0,0,0,0,2|2,0,0]=4 921 B11R1.25 CNC(=O)CNc1ncc[nH]1 4b0c222e31cfcc3b6b5256279cd5cd88 [0,0,0,0,0,2|2,0,0]=4 922 B11R1.25 CNC(=O)CNc1ncco1 ceeb9335263c80021a1974fd2776fefd [0,0,0,0,0,2|1,1,0]=4 923 B11R1.25 CNC(=O)CNc1nccs1 7e50cf24590611fe1cfd5de9fa135322 [0,0,0,0,0,2|1,0,0]=3 924 B11R1.25 CNC(=O)CNc1ncns1 91896dff63be7066dab8d0cf942f9907 [0,0,0,0,0,2|2,0,0]=4 925 B11R1.25 CNC(=O)CNc1nncs1 191fea510e03d57879ee820131c38f32 [0,0,0,0,0,2|2,0,0]=4 926 B11R1.25 CNC(=O)COc1cccs1 591444907ff3d0e617e25662bdc82222 [0,0,0,0,0,2|2,0,0]=4 927 B11R1.25 CNC(=O)COc1nccs1 fce58b31ba1dc41d8fdbaad10f48e62e [0,0,0,0,0,2|1,0,0]=3 928 B11R1.25 CNC(=O)COc1nncs1 e7d5d823e7a9180750f175355b22f09a [0,0,0,0,0,2|2,0,0]=4 929 B11R1.25 COC(=O)CNc1cccs1 59d52dc657b50ac2b04e7700320d3026 [0,0,0,0,0,2|2,0,0]=4 930 B11R1.25 COC(=O)CNc1ncc[nH]1 7c9601fb92d5394e0818a2daf4963f44 [0,0,0,0,0,2|2,0,0]=4 931 B11R1.25 COC(=O)CNc1ncco1 feededd87b0a92f1d612ca2091d69650 [0,0,0,0,0,2|1,1,0]=4 932 B11R1.25 COC(=O)CNc1nccs1 003289569b44bbfe2ad788550ab8ae0b [0,0,0,0,0,2|1,0,0]=3 933 B11R1.25 COC(=O)CNc1ncns1 84ed557b55abe3e27f6f8ca9606fd9e5 [0,0,0,0,0,2|2,0,0]=4 934 B11R1.25 COC(=O)CNc1nncs1 0f634136ddb8401e09267f29597f773e [0,0,0,0,0,2|2,0,0]=4 935 B11R1.25 COC(=O)COc1cccs1 700d40abb2597ef2d3922f15e3e62a6a [0,0,0,0,0,2|2,0,0]=4 936 B11R1.25 COC(=O)COc1nccs1 f20c3b0834e1b93e4a4a1a0d0751d246 [0,0,0,0,0,2|1,0,0]=3 937 B11R1.25 COC(=O)COc1nncs1 2fe719147406cf99cd6affc2fcfeac21 [0,0,0,0,0,2|2,0,0]=4 938 B11R1.25 O=C(CF)NCc1cccs1 da3b7d350577e65c6692e055abd20b60 [0,0,0,0,0,2|2,0,0]=4 939 B11R1.25 O=C(CF)NCc1ncco1 268b9a58e234628a13e01d0df574f804 [0,0,0,0,0,2|1,1,0]=4 940 B11R1.25 O=C(CF)NCc1nccs1 b432e279a864a8c6caf38f0121f197d3 [0,0,0,0,0,2|1,0,0]=3 941 B11R1.25 O=C(CNc1nccs1)NO f5f45399f283c9ce57fab174a55a55f6 [0,0,0,0,0,2|2,0,0]=4 942 B11R1.25 O=C(CO)CNc1cccs1 2fa55ac8bbb5c873ad00e48a9966c29f [0,0,0,0,0,2|2,0,0]=4 943 B11R1.25 O=C(CO)CNc1ncc[nH]1 69704ea6c43fc74150b022b23878a3c0 [0,0,0,0,0,2|2,0,0]=4 944 B11R1.25 O=C(CO)CNc1ncco1 a77c7f1da0fa7ae8f9927e6aed614ed2 [0,0,0,0,0,2|1,1,0]=4 945 B11R1.25 O=C(CO)CNc1nccs1 901ef886dfd9a645055e9e4f46953aca [0,0,0,0,0,2|1,0,0]=3 946 B11R1.25 O=C(CO)CNc1ncns1 080452ba87356c7b6836d26c14fb1b64 [0,0,0,0,0,2|2,0,0]=4 947 B11R1.25 O=C(CO)CNc1nncs1 13580cc8fb176dff1cbb7d836a992296 [0,0,0,0,0,2|2,0,0]=4 948 B11R1.25 O=C(CO)NCc1cccs1 99ae0ae91c0a822e251b5bff14f6cde8 [0,0,0,0,0,2|2,0,0]=4 949 B11R1.25 O=C(CO)NCc1ncco1 e3899f38fa2e20a5067a6a3ba3371079 [0,0,0,0,0,2|1,1,0]=4 950 B11R1.25 O=C(CO)NCc1nccs1 65d54e94672af8f9f1f2be1a10536bcf [0,0,0,0,0,2|1,0,0]=3 951 B11R1.25 O=C(CS)NCc1cccs1 ae334004146e0d855e3ddc67faa76e34 [0,0,0,0,0,2|2,0,0]=4 952 B11R1.25 O=C(CS)NCc1ncco1 8d62f9204c654f67f617562ca66be425 [0,0,0,0,0,2|1,1,0]=4 953 B11R1.25 O=C(CS)NCc1nccs1 e18ca2c3e41a5414ef567bfc9ee78b0a [0,0,0,0,0,2|1,0,0]=3 954 B11R1.25 O=CC(=O)NCc1nccs1 202681d5a3c73d5ceaf5d0c1d85e251c [0,0,0,0,0,2|1,0,1]=4