0 B11R1.29 C#CCNC(=O)c1ccco1 54ff4fbf94cdf57e102cd95c169c2b22 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.29 C#CCNC(=O)c1cccs1 a73f20fac8a22321b114b7ca12fcbd41 [0,0,0,0,0,0|1,1,2]=4 2 B11R1.29 C#CCNC(=O)c1ccno1 08b7f30e229d0b217996365a4e246e2b [0,0,0,0,0,0|2,0,2]=4 3 B11R1.29 C#CCNC(=O)c1cnco1 af04fdd6b0fb654fc6c86f243bcb8e52 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.29 C#CCNC(=O)c1ncco1 de0ccbaabc1e72bd169d003147748fc4 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.29 CC(NCCF)c1ccco1 2a9add295a7376e24c0060f240d02c67 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.29 CC(NCCO)c1ccco1 69d6c02ba83682b3efb129f6090de12a [0,0,0,0,0,0|3,0,1]=4 7 B11R1.29 CC(NCCS)c1ccco1 df42ebe1a40d40339012260e8818d33d [0,0,0,0,0,0|3,0,1]=4 8 B11R1.29 CC(OCCF)c1ccco1 10f0dddbbecb7a4fa1347c04a154b2d6 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.29 CC(OCCS)c1ccco1 f4004cbc673a5ac19c3887f2e1bfe5ec [0,0,0,0,0,0|3,0,1]=4 10 B11R1.29 CCCCC(=O)N1CC=CC1 1c16c01c5cce8e90bec05288d2ffc79b [0,0,0,0,0,0|2,0,1]=3 11 B11R1.29 CCCCN(C)c1cc[nH]n1 ff5a256682bfe23bc13c94f52bfe4083 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.29 CCCCN(C)c1ccns1 1e27408d50cde3146122b593db727a30 [0,0,0,0,0,0|3,1,0]=4 13 B11R1.29 CCCCN(C)c1ccon1 bbfea199669bed60955e9ac7520d0fce [0,0,0,0,0,0|4,0,0]=4 14 B11R1.29 CCCCN(C)c1ccsc1 73e8d03923f6fe8b0d0808b0a2b3448a [0,0,0,0,0,0|4,0,0]=4 15 B11R1.29 CCCCN(C)c1ncc[nH]1 576b07109087348130088b54d54f6fe0 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.29 CCCCN(C)c1ncco1 86bdcf44921157adba12893b90cc5d2b [0,0,0,0,0,0|3,0,0]=3 17 B11R1.29 CCCCN(C)c1nccs1 38174c21b3f5686eb8777300f990dbe9 [0,0,0,0,0,0|3,1,0]=4 18 B11R1.29 CCCCN(C)c1nnco1 0fbfad40ef7d1b8810fe78532c7de18d [0,0,0,0,0,0|4,0,0]=4 19 B11R1.29 CCCNC(=O)C1=CCCC1 581b7e80fde64cc894f2aa1fbed86279 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.29 CCCNC(=O)C1=CCOC1 abb3d5b7de3c9d9c54297a499fbd9b2f [0,0,0,0,0,0|3,0,1]=4 21 B11R1.29 CCCNC(=O)C1=COCC1 fb31114ba4affbe8b9b65f6245b8ba05 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.29 CCCNC(=O)N1CC=CC1 ed435726676b7d47da10dd29462e6d8d [0,0,0,0,0,0|3,0,1]=4 23 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,0,0,0,0,0|1,1,0]=2 25 B11R1.29 CCCNC(=O)c1ccno1 c77a86055203fe3167c7545c3ffd5006 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.29 CCCNC(=O)c1ccns1 9d9271c488c7abd875ce72ed3cf44ba5 [0,0,0,0,0,0|2,1,0]=3 27 B11R1.29 CCCNC(=O)c1ccoc1 b710ca9b77d5dd5c6625c458d5e02fff [0,0,0,0,0,0|3,0,0]=3 28 B11R1.29 CCCNC(=O)c1ccon1 b0dc163d9fefb7a716284cef4e030748 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.29 CCCNC(=O)c1ccsc1 f3d21a60ff16bfd1a406284ddaeeda64 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.29 CCCNC(=O)c1ccsn1 e8c0b20cf619db44cfbb541f25483c83 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.29 CCCNC(=O)c1cnco1 4fd1ce58de56a0a6274075bcec5acbfd [0,0,0,0,0,0|2,0,0]=2 32 B11R1.29 CCCNC(=O)c1cncs1 e91fe99ebdc2a4d8795f2723108d1eae [0,0,0,0,0,0|2,1,0]=3 33 B11R1.29 CCCNC(=O)c1cnns1 64db1d867fdd41ade60d5010644d07e4 [0,0,0,0,0,0|3,1,0]=4 34 B11R1.29 CCCNC(=O)c1cnoc1 b2d070d5eee30fe7af3396e390e0b228 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.29 CCCNC(=O)c1cnon1 23b85a447afd9f704b8ac0dc096077ba [0,0,0,0,0,0|4,0,0]=4 36 B11R1.29 CCCNC(=O)c1cnsc1 ba82ecfdec2a2b2e14ab0c2784f0a54b [0,0,0,0,0,0|4,0,0]=4 37 B11R1.29 CCCNC(=O)c1cnsn1 37870b0002f0f46911501ff35dd2632c [0,0,0,0,0,0|4,0,0]=4 38 B11R1.29 CCCNC(=O)c1cocn1 2575f7f0f3b0833b3d960e27221e8713 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.29 CCCNC(=O)c1cscn1 070671f79af8ad71ff8934158ae62037 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.29 CCCNC(=O)c1csnn1 59a6a016976fc9c0e2c685241bdc6c59 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.29 CCCNC(=O)c1ncco1 ae748957f37f8038ea8711a85c12e485 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.29 CCCNC(=O)c1nccs1 b508beeea12b29e1771eeed4bc4b32ee [0,0,0,0,0,0|2,1,0]=3 43 B11R1.29 CCCNC(=O)c1ncns1 3fe9acd037e6ed9b672559366c86ae91 [0,0,0,0,0,0|3,1,0]=4 44 B11R1.29 CCCNC(=O)c1ncon1 37f6c57674c11383df86f37ceac27f9c [0,0,0,0,0,0|4,0,0]=4 45 B11R1.29 CCCNC(=O)c1nnco1 1cfa22074c4ff364b7ff2ab43dab0a5f [0,0,0,0,0,0|3,0,0]=3 46 B11R1.29 CCCNC(C)c1ccco1 7e86f1ea622a23860ffb4a628b926f5c [0,0,0,0,0,0|2,0,1]=3 47 B11R1.29 CCCNC(C)c1cccs1 5aa9843479ce77815080bd0dc1188a66 [0,0,0,0,0,0|2,1,1]=4 48 B11R1.29 CCCNC(C)c1ncco1 7e876297f86bbbf2c23cc8f221d3f51e [0,0,0,0,0,0|3,0,1]=4 49 B11R1.29 CCCN[C@@H](C)c1cccs1 098413012ff26c797e0fcae43b28d795 [0,0,0,0,0,0|2,1,1]=4 50 B11R1.29 CCCN[C@H](C)c1ccco1 842b31baf27b8ee70706649ada8ebef1 [0,0,0,0,0,0|2,0,1]=3 51 B11R1.29 CCCN[C@H](C)c1cccs1 d06b2fe6113708b6534bdf5ede68b17d [0,0,0,0,0,0|2,1,1]=4 52 B11R1.29 CCCOC(C)c1ccco1 0c8192b3fce9fa8d97db205912c0cbc9 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.29 CCCOC(C)c1cccs1 7b6bdb3f83eaafe65831e71864baaf4a [0,0,0,0,0,0|2,1,1]=4 54 B11R1.29 CCCO[C@@H](C)c1cccs1 21ea319236f123ccc86c3b2cf90832cc [0,0,0,0,0,0|2,1,1]=4 55 B11R1.29 CCCO[C@H](C)c1ccco1 8a90bd4017346c35e1595975c1908a98 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.29 CCCO[C@H](C)c1cccs1 29e31d089cc062e1ef867d38e325320e [0,0,0,0,0,0|2,1,1]=4 57 B11R1.29 CCNCC(O)c1ccco1 528c2aad00677439131d2a8d894a2f6c [0,0,0,0,0,0|1,0,2]=3 58 B11R1.29 CCNCC(O)c1cccs1 0c5890746682937c6b36dd00db074136 [0,0,0,0,0,0|1,1,2]=4 59 B11R1.29 CCOCC(=O)N1CC=CC1 cbe04d07f816e15e959c3e44421cb76a [0,0,0,0,0,0|3,0,1]=4 60 B11R1.29 CCOCC(=O)c1ccco1 914a75ebe3137d0727414a3562da2864 [0,0,0,0,0,0|1,0,0]=1 61 B11R1.29 CCOCN(C)c1ncco1 40f43e530f7fd411649bf7e217c36d7e [0,0,0,0,0,0|4,0,0]=4 62 B11R1.29 CCSCC(=O)N1CC=CC1 4efcb7b52d579e38e1c0f577d8f60916 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.29 CN(CCCF)c1ncco1 615ed7ef22709b8e33e372a0c82d8443 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.29 CN(CCCO)c1cccs1 e6daf353414ec8ee096ae8062390662c [0,0,0,0,0,0|3,1,0]=4 65 B11R1.29 CN(CCCO)c1ncco1 1b53211c34571bcb5f681228d78e05b6 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.29 CN(CCCS)c1ncco1 b72522081599e6ed25b7e4a64e5bb957 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.29 COCCC(=O)N1CC=CC1 51fdb788d024b9a9fce1aab10b35f222 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.29 COCCN(C)c1ncco1 4672e1489d6a69bff12eaed6854556e1 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.29 COCNC(C)c1ccco1 32057decc3fed592a6e76a815459ddd1 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.29 COCN[C@H](C)c1ccco1 be4dcc2f7ba04d40894497417b536ba9 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.29 CSCCC(=O)N1CC=CC1 fffebcae5c3e940447a048425e657816 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.29 CSCCN(C)c1ncco1 275c6df72c98677923f59826e4411dda [0,0,0,0,0,0|4,0,0]=4 73 B11R1.29 CSCNC(C)c1ccco1 af04926486f46f1ded73f9de1fe05881 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.29 CSCN[C@H](C)c1ccco1 517be0c14aea623e338bc0e28f49ee13 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.29 C[C@@H](NCCF)c1ccco1 99d0b04c2de0233367755b8adb89391f [0,0,0,0,0,0|3,0,1]=4 76 B11R1.29 C[C@@H](NCCO)c1ccco1 a92e6290682e4a9cd9e77fa1613f2146 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.29 C[C@@H](NCCS)c1ccco1 db60d68a1e1cf43e7b3d7c9ce11cc2eb [0,0,0,0,0,0|3,0,1]=4 78 B11R1.29 C[C@@H](OCCF)c1ccco1 f4d7d8c9ded12605d9a55c2d221894a1 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.29 C[C@@H](OCCS)c1ccco1 41565a4abc9e21b37ab8da4b94e920fb [0,0,0,0,0,0|3,0,1]=4 80 B11R1.29 N#CCNC(=O)c1ccco1 d313d8b0ce76d9c99b94fac6efbe655d [0,0,0,0,0,0|2,0,1]=3 81 B11R1.29 N#CCNC(=O)c1cccs1 13176c523a2d4c2196241743e91c74ce [0,0,0,0,0,0|2,1,1]=4 82 B11R1.29 N#CCNC(=O)c1ccno1 81934f7a43c2838bbfe7d5fdaf673eb4 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.29 N#CCNC(=O)c1cnco1 a56ff5d9836840f52c8df6af6b678b3c [0,0,0,0,0,0|3,0,1]=4 84 B11R1.29 N#CCNC(=O)c1ncco1 f1e9f1f9a677f8bea34273934174e41a [0,0,0,0,0,0|3,0,1]=4 85 B11R1.29 N#CNCC(=O)c1ccco1 7d006b99701e12406ebdf274950972cb [0,0,0,0,0,0|2,0,1]=3 86 B11R1.29 N#CNCC(=O)c1cccs1 34e482cca636b2327c3ed850acb09e0f [0,0,0,0,0,0|2,1,1]=4 87 B11R1.29 N#CNCC(=O)c1ncco1 1d5609bccdedd9817f4ace835a86f5a0 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.29 O=C(CCCF)N1CC=CC1 914889989899ebbf50824f6d825c76be [0,0,0,0,0,0|3,0,1]=4 89 B11R1.29 O=C(CCCS)N1CC=CC1 acf73866edd6fe1ff3bb7e4bf00c8d72 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.29 O=C(COCF)c1ccco1 17b6d760525bf4481cd14a7fa5054d49 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.29 O=C(NCCBr)c1ccco1 a0a02576173476b1d0f57aa98df99ffa [0,0,0,0,0,0|2,0,0]=2 92 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,0,0,0,0,0|2,1,0]=3 93 B11R1.29 O=C(NCCBr)c1ccno1 9a906130ef97f1cf1826565367a02026 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.29 O=C(NCCBr)c1ccoc1 f17b4805ccc8050fa79e72b10af601a3 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.29 O=C(NCCBr)c1ccsc1 e38ae1ea88454d8bd1978965b12e5086 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.29 O=C(NCCBr)c1cnco1 f213b12c539887a7112db4c1eff3b684 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.29 O=C(NCCBr)c1cncs1 60fbde55268ffca5c3be8cf756de24e1 [0,0,0,0,0,0|3,1,0]=4 98 B11R1.29 O=C(NCCBr)c1cocn1 cfd1e1548d98aefe311ff6b4486d7abf [0,0,0,0,0,0|4,0,0]=4 99 B11R1.29 O=C(NCCBr)c1cscn1 7caf1113a205fa3a768a4f60a6dfcaca [0,0,0,0,0,0|4,0,0]=4 100 B11R1.29 O=C(NCCBr)c1ncco1 ddfe2bffa9dbf30bfc49d06c78a41a13 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.29 O=C(NCCBr)c1nccs1 2f66e8cff02a375147879a0050d7c8d9 [0,0,0,0,0,0|3,1,0]=4 102 B11R1.29 O=C(NCCF)c1ccco1 3debe2a549207ec0880069641356d391 [0,0,0,0,0,0|2,0,0]=2 103 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,0,0,0,0,0|2,1,0]=3 104 B11R1.29 O=C(NCCF)c1ccno1 2fc4ae01e473d6e2938d4b854c16bc61 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.29 O=C(NCCF)c1ccns1 e5c5a111f8976524a3b3e3fbbf7f1396 [0,0,0,0,0,0|3,1,0]=4 106 B11R1.29 O=C(NCCF)c1ccoc1 dc7d561c6a59183e9b5592773f8ccae0 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.29 O=C(NCCF)c1ccon1 142d3c284a476383841b2cf6a9d2d225 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.29 O=C(NCCF)c1ccsc1 5671a45f2671253d004b5c4a0d81ee8b [0,0,0,0,0,0|4,0,0]=4 109 B11R1.29 O=C(NCCF)c1ccsn1 173f0ef87207bc7ab11a877afb1d6ce2 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.29 O=C(NCCF)c1cnco1 0e4d328ade266bcd470550f55f4b8214 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.29 O=C(NCCF)c1cncs1 383955fe88e0dc0fa7d36d083e3465fa [0,0,0,0,0,0|3,1,0]=4 112 B11R1.29 O=C(NCCF)c1cocn1 b5ee11bcd5c13814fed2a82d160c97ff [0,0,0,0,0,0|4,0,0]=4 113 B11R1.29 O=C(NCCF)c1cscn1 ab71382f1a3a031fd30aabc233b27d99 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.29 O=C(NCCF)c1ncco1 7b4a48b6dd9dac5dc75cb2f84f090566 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.29 O=C(NCCF)c1nccs1 77eb2769675c943061834add83081ee5 [0,0,0,0,0,0|3,1,0]=4 116 B11R1.29 O=C(NCCF)c1nnco1 d603f56e76fcc4e867d82d6d72188aa2 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.29 O=C(NCCI)c1ccco1 5f8d286413b9d386aa5f26a345db8e0d [0,0,0,0,0,0|2,0,0]=2 118 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,0,0,0,0,0|2,1,0]=3 119 B11R1.29 O=C(NCCI)c1ccno1 33f83caed4e05fa64b2512b71d58eca7 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.29 O=C(NCCI)c1ccns1 a1da8b64574cd4b7b6848bb7562cdcca [0,0,0,0,0,0|3,1,0]=4 121 B11R1.29 O=C(NCCI)c1ccoc1 937c026f38ef0d37ba356822a011d166 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.29 O=C(NCCI)c1ccon1 80dc1be028b5b257ddea035c7e53ae34 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.29 O=C(NCCI)c1ccsc1 73851a3bb363013c32e7ebbc55213373 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.29 O=C(NCCI)c1ccsn1 f4d53a643298fdbd6d91d796a4b8a023 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.29 O=C(NCCI)c1cnco1 c87e910213bc69260e0c8db022a3fb59 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.29 O=C(NCCI)c1cncs1 3a3d795952c46b3daef9a5b6d68fa412 [0,0,0,0,0,0|3,1,0]=4 127 B11R1.29 O=C(NCCI)c1cocn1 2ed053c043c561dc6a809a5ccdecafd0 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.29 O=C(NCCI)c1cscn1 f2560ca5efe03971012bed9b84485591 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.29 O=C(NCCI)c1ncco1 93d34a67e692c1c193eb6a83e00f8535 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.29 O=C(NCCI)c1nccs1 036a52a19aa67d410084de031cedb749 [0,0,0,0,0,0|3,1,0]=4 131 B11R1.29 O=C(NCCI)c1nnco1 a77565eb82e1fabc775f60879b597fe7 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.29 O=C(NCCO)c1ccco1 d1dff333f1685197c7717060e53f80c8 [0,0,0,0,0,0|2,0,0]=2 133 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,0,0,0,0,0|2,1,0]=3 134 B11R1.29 O=C(NCCO)c1ccno1 d5654daeb27fe7d7448fb88f8a40cd7a [0,0,0,0,0,0|3,0,0]=3 135 B11R1.29 O=C(NCCO)c1ccns1 fd508a116e24c5b4a40289fb39324811 [0,0,0,0,0,0|3,1,0]=4 136 B11R1.29 O=C(NCCO)c1ccoc1 26f27fa8047d75aba267ec90ff5f5db5 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.29 O=C(NCCO)c1ccon1 45d014ed584f9586c3feab142f6e4df6 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.29 O=C(NCCO)c1ccsc1 cd4b4e6a612d00f35fffe04cc8f8d9b0 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.29 O=C(NCCO)c1ccsn1 a0234999d4dd72b14e944f77fc6f636f [0,0,0,0,0,0|4,0,0]=4 140 B11R1.29 O=C(NCCO)c1cnco1 b61e2bef4acc84ed4e0fe63f8c9498c1 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.29 O=C(NCCO)c1cncs1 6d1cbd4f329d93ed8f2059768f90065d [0,0,0,0,0,0|3,1,0]=4 142 B11R1.29 O=C(NCCO)c1cocn1 253f25f99125f7addb5100512e728c29 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.29 O=C(NCCO)c1cscn1 4642e0cbf6ca626921b3a494e379793b [0,0,0,0,0,0|4,0,0]=4 144 B11R1.29 O=C(NCCO)c1ncco1 a7fbe4f9da9c46d9cd52676527965991 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.29 O=C(NCCO)c1nccs1 b562304a528adb16b34e4b9da18c2c5c [0,0,0,0,0,0|3,1,0]=4 146 B11R1.29 O=C(NCCO)c1nnco1 87cfe7410943364344cb8a0b009ccd45 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.29 O=C(NCCS)c1ccco1 32077be75d73ebb14fb9991bd123b7cd [0,0,0,0,0,0|2,0,0]=2 148 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,0,0,0,0,0|2,1,0]=3 149 B11R1.29 O=C(NCCS)c1ccno1 3745e7100d16f98fcf8824204413aee5 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.29 O=C(NCCS)c1ccns1 974cf9e0fce0d5e62fc5a8441216e482 [0,0,0,0,0,0|3,1,0]=4 151 B11R1.29 O=C(NCCS)c1ccoc1 1c37d5ab00bec609b56f86d92eede865 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.29 O=C(NCCS)c1ccon1 bb8f019eedfe0945ac17cd0c19d101a2 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.29 O=C(NCCS)c1ccsc1 b12a79ad271bb7b9ba5d316882d21f81 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.29 O=C(NCCS)c1ccsn1 84e727b1a1c56a72cd14fe80aa54ebe1 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.29 O=C(NCCS)c1cnco1 0f812843e2b307f761a930dbcfa6f774 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.29 O=C(NCCS)c1cncs1 34995d48978f02a0be1d0e1d24782c87 [0,0,0,0,0,0|3,1,0]=4 157 B11R1.29 O=C(NCCS)c1cocn1 95182173a49ebb800618c8b1511ab721 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.29 O=C(NCCS)c1cscn1 1ee9171f94169aebbe309486fdef8607 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.29 O=C(NCCS)c1ncco1 2bf2edf52d3025c34621d30041d2a131 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.29 O=C(NCCS)c1nccs1 d2c72eed24ffb5227db504a76a4e3581 [0,0,0,0,0,0|3,1,0]=4 161 B11R1.29 O=C(NCCS)c1nnco1 5464e9d7407318beb6e01b232d3f8146 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.29 OC(CNCF)c1ccco1 3a0eeb21422252519cfbbac6487a41b0 [0,0,0,0,0,0|2,0,2]=4 163 B11R1.29 OCNCC(O)c1ccco1 b3dbc901afe42871f041c3fb7a098a05 [0,0,0,0,0,0|2,0,2]=4 164 B10R1.11 CCCC(=O)N1CC=CC1 bb898560fa964db98f98cd376b86f0ce [1,0,0,0,0,0|2,0,1]=4 165 B10R1.11 CCCN(C)c1ncco1 27c97316d262b6ffcd37b67051233e1e [1,0,0,0,0,0|3,0,0]=4 166 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [1,0,0,0,0,0|2,0,1]=4 168 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [1,0,0,0,0,0|2,0,1]=4 169 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.21 C#CCCOc1ccco1 b5d30f180675da8f0d260f78d02e291d [1,0,0,0,0,0|1,0,2]=4 173 B10R1.21 C/C=C/COc1ccco1 49607601c603ccca16018edf0f4cebb7 [1,0,0,0,0,0|1,0,2]=4 174 B10R1.21 C/C=C\COc1ccco1 081cefe6a82f756391efccda3cbbafc4 [1,0,0,0,0,0|1,0,2]=4 175 B10R1.21 C=CCCNc1ccco1 2dc99c635e0fd320f4473dac533cdebc [1,0,0,0,0,0|1,0,2]=4 176 B10R1.21 C=CCCOc1ccco1 c4a6b7713487c646ea5190de2827309c [1,0,0,0,0,0|1,0,2]=4 177 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [1,0,0,0,0,0|1,0,2]=4 178 B10R1.21 CCCCNc1c[nH]cn1 c32a5f86e55cb9897330164d8efcb9fe [1,0,0,0,0,0|3,0,0]=4 179 B10R1.21 CCCCNc1cc[nH]n1 08191c11b8fd0a9b902620d66fe69344 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [1,0,0,0,0,0|1,0,0]=2 181 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [1,0,0,0,0,0|1,1,0]=3 182 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [1,0,0,0,0,0|2,0,0]=3 183 B10R1.21 CCCCNc1ccns1 a07df3d7bb3cf2bc4b424479532c48a1 [1,0,0,0,0,0|2,1,0]=4 184 B10R1.21 CCCCNc1ccoc1 640322940a87afc9d827bccc7d39ae5e [1,0,0,0,0,0|3,0,0]=4 185 B10R1.21 CCCCNc1ccon1 1d9d6f5bb9f6f4fb68fa3ea6f9775ccf [1,0,0,0,0,0|3,0,0]=4 186 B10R1.21 CCCCNc1ccsc1 c64d8e4067791c5f42e37c69db44e430 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.21 CCCCNc1cncs1 4a96645b2a572926fbd6e45054b4e3f7 [1,0,0,0,0,0|2,1,0]=4 188 B10R1.21 CCCCNc1cocn1 5e3b989a44937a5b280cf60b71051b69 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.21 CCCCNc1cscn1 171f3e731934a6d1d3644c2ffd036bf0 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.21 CCCCNc1ncc[nH]1 3616ba14c142c28225de2f7de9635479 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.21 CCCCNc1nccs1 12133cb9a1da0d94840ed9a3baf14a9a [1,0,0,0,0,0|2,1,0]=4 193 B10R1.21 CCCCNc1nnco1 670187d65c48cc15447592ba7fb271da [1,0,0,0,0,0|3,0,0]=4 194 B10R1.21 CCCCOc1c[nH]cn1 2de79fd47cbcb5ac95e2c102e85f22a4 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [1,0,0,0,0,0|1,0,0]=2 196 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [1,0,0,0,0,0|1,1,0]=3 197 B10R1.21 CCCCOc1ccn[nH]1 624ca312369c33edfb509f311a6b8972 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.21 CCCCOc1ccsc1 770f8463a70d6c9063754e6f8e52cc5c [1,0,0,0,0,0|3,0,0]=4 199 B10R1.21 CCCCOc1nccs1 8ff8aac1654c33a390fc90e62ff87a97 [1,0,0,0,0,0|2,1,0]=4 200 B10R1.21 CCCCOn1cccn1 d11a05bd6c9f30ec63b2f2090ca17285 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [1,0,0,0,0,0|1,0,1]=3 203 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [1,0,0,0,0,0|1,1,1]=4 204 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [1,0,0,0,0,0|2,0,1]=4 205 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [1,0,0,0,0,0|2,0,1]=4 207 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [1,0,0,0,0,0|2,0,1]=4 208 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [1,0,0,0,0,0|1,0,1]=3 209 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [1,0,0,0,0,0|1,1,1]=4 210 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [1,0,0,0,0,0|2,0,1]=4 211 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [1,0,0,0,0,0|1,0,1]=3 215 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [1,0,0,0,0,0|1,1,1]=4 216 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [1,0,0,0,0,0|1,0,1]=3 218 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [1,0,0,0,0,0|1,1,1]=4 219 B10R1.21 CCOCNc1cccs1 fdc9729af7149ad96898b9c1e1995195 [1,0,0,0,0,0|2,1,0]=4 220 B10R1.21 CCOCNc1ccno1 529b44871c8dfd34bf68b0175f50e619 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.21 CCOCNc1ncco1 250f1feeca8dbd10b67fead60ad657bd [1,0,0,0,0,0|3,0,0]=4 222 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.21 CCOCOc1cccs1 f1905e8f0a82ed892bc2c970faf9dff2 [1,0,0,0,0,0|2,1,0]=4 224 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.21 COCCNc1cccs1 4679346317f357faed462ffad2613f4e [1,0,0,0,0,0|2,1,0]=4 226 B10R1.21 COCCNc1ccno1 adedf48200497bd8ece47a916d2f6e29 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.21 COCCNc1ncco1 27ef3b5cdb6ddb84737afcdb0a8564a1 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.21 COCCOc1cccs1 376aff47162023b820da889700ce60b2 [1,0,0,0,0,0|2,1,0]=4 230 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [1,0,0,0,0,0|2,0,1]=4 231 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [1,0,0,0,0,0|2,0,1]=4 232 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [1,0,0,0,0,0|2,0,0]=3 233 B10R1.21 CSCCNc1cccs1 01d49ac6e99e11e56f4bd6fc081c9e5f [1,0,0,0,0,0|2,1,0]=4 234 B10R1.21 CSCCNc1ccno1 b1c7208426eeceedc2a03beed8da02a3 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.21 CSCCNc1ncco1 8311037a857d62fbb40e2a92bfa36330 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [1,0,0,0,0,0|2,0,0]=3 237 B10R1.21 CSCCOc1cccs1 7150bd7e2c4ada0071b0350ef4644150 [1,0,0,0,0,0|2,1,0]=4 238 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [1,0,0,0,0,0|2,0,0]=3 241 B10R1.21 ClCCCNc1cccs1 fbce81ff25a9f7a9cf998778e28fb8cd [1,0,0,0,0,0|2,1,0]=4 242 B10R1.21 ClCCCNc1ncco1 4017e4f58a0e4152e4ac61177c419a8f [1,0,0,0,0,0|3,0,0]=4 243 B10R1.21 FCCCNc1cccs1 31ac9134e6d62b97401471d4ea45a70d [1,0,0,0,0,0|2,1,0]=4 244 B10R1.21 FCCCNc1ccno1 eb42f09138b283fba82dfacba41558ac [1,0,0,0,0,0|3,0,0]=4 245 B10R1.21 FCCCNc1ncco1 9e3bd4cf48e7c0fa13708268fb89b2cb [1,0,0,0,0,0|3,0,0]=4 246 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.21 FCCCOc1cccs1 8b580ea4e86b76b5b7438bc561b77a9d [1,0,0,0,0,0|2,1,0]=4 248 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [1,0,0,0,0,0|2,0,1]=4 250 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [1,0,0,0,0,0|2,0,1]=4 251 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [1,0,0,0,0,0|2,0,1]=4 252 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [1,0,0,0,0,0|2,0,1]=4 253 B10R1.21 N#CCCOc1ccco1 8ce5c34beea847e702c4d0fddf65978a [1,0,0,0,0,0|2,0,1]=4 254 B10R1.21 NOCCNc1ccco1 982512c5e2d50fb1ae411cdaf4bf2093 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.21 O=CCCOc1ccco1 29d0eddc230514e8e3bb8cacc9923f78 [1,0,0,0,0,0|2,0,1]=4 256 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.21 OCCCNc1cccs1 55eef094d687f19b3a4b8d33bdca1f77 [1,0,0,0,0,0|2,1,0]=4 258 B10R1.21 OCCCNc1ccno1 635acccfbfa77aa72ef18cbdba2e4a73 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.21 OCCCNc1ncco1 9df59432fe5a095679b4136a055b46e3 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.21 SCCCNc1cccs1 b2bd8dd51f559a41d4ab60443e74a227 [1,0,0,0,0,0|2,1,0]=4 263 B10R1.21 SCCCNc1ccno1 8520663ad0462ac5a3f95a82af76ece3 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.21 SCCCNc1ncco1 03f06c346af623c1d1d37064182cc0c3 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.21 SCCCOc1cccs1 6f93465f61b75a0424c0871f86fddc3d [1,0,0,0,0,0|2,1,0]=4 267 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [1,0,0,0,0,0|2,0,1]=4 268 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [1,0,0,0,0,0|2,0,1]=4 269 B12R1.15 C#CC(C)NC(=O)c1ccco1 acf53c64bda85bed11fa26ffb2321f92 [0,1,0,0,0,0|1,0,2]=4 270 B12R1.15 C#C[C@@H](C)NC(=O)c1ccco1 dee126210f4701577e628e6489df5887 [0,1,0,0,0,0|1,0,2]=4 271 B12R1.15 C#C[C@H](C)NC(=O)c1ccco1 e45622daf661591711a8ed3e6663f0d5 [0,1,0,0,0,0|1,0,2]=4 272 B12R1.15 C=CC(C)NC(=O)c1ccco1 0acb30d584490b4bbf12c94896988d7a [0,1,0,0,0,0|1,0,2]=4 273 B12R1.15 CC(C#N)NC(=O)c1ccco1 1c7a072ee7435cff8596ab3d9845cb31 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.15 CC(CO)NC(=O)c1ccco1 4a09a19799d9a4d27122c3d98b299696 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.15 CC(CO)NC(=O)c1cccs1 13bcdefa9d9ab2808de0cf9d79d90b2f [0,1,0,0,0,0|2,1,0]=4 276 B12R1.15 CC(CO)NC(=O)c1ccno1 0db85ff63aa129c5ba9a8637820a9f26 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.15 CC(CO)NC(=O)c1cnco1 0955db887c73d7c07a09c16ec258cfd9 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.15 CC(CO)NC(=O)c1ncco1 3b6c3836f70380a81f91778b4ac1d885 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.15 CCC(C)CC(=O)N1CC=CC1 935bd6da3df14d88565918f0a69ec2c7 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.15 CCC(C)CN(C)c1ncco1 9f109cdbe8291375c19c8967cfa1421a [0,1,0,0,0,0|3,0,0]=4 281 B12R1.15 CCC(C)NC(=O)c1ccco1 9665ddfcb4b3c896f44fb86f6afbd5cf [0,1,0,0,0,0|1,0,0]=2 282 B12R1.15 CCC(C)NC(=O)c1cccs1 94c0d5e815bee9ad8df0b19fb4ee9b3e [0,1,0,0,0,0|1,1,0]=3 283 B12R1.15 CCC(C)NC(=O)c1ccno1 acb8c982d16758bd5c9ef19eb308e10c [0,1,0,0,0,0|2,0,0]=3 284 B12R1.15 CCC(C)NC(=O)c1ccns1 7783bee2fadd1ad8331e6ae140fdbf2b [0,1,0,0,0,0|2,1,0]=4 285 B12R1.15 CCC(C)NC(=O)c1ccoc1 ccb170d046030dfa7eeec624752a5d9c [0,1,0,0,0,0|3,0,0]=4 286 B12R1.15 CCC(C)NC(=O)c1ccon1 0aa631bcceb8d3d94d0e5a08f82fb361 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.15 CCC(C)NC(=O)c1ccsc1 710bab33ff7e1af0ca605b6fc828f7cc [0,1,0,0,0,0|3,0,0]=4 288 B12R1.15 CCC(C)NC(=O)c1ccsn1 3ca734f389f4e0f82d3104e50669d6cb [0,1,0,0,0,0|3,0,0]=4 289 B12R1.15 CCC(C)NC(=O)c1cnco1 2a9f421702286e27497891511a5c74d9 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.15 CCC(C)NC(=O)c1cncs1 6bac8cd0c62ec87525a1569f3df87f77 [0,1,0,0,0,0|2,1,0]=4 291 B12R1.15 CCC(C)NC(=O)c1cocn1 36bab8afb5f494115d36f529c69a3432 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.15 CCC(C)NC(=O)c1cscn1 19387067235d80064c3b0bf420c557a8 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.15 CCC(C)NC(=O)c1ncco1 c53bf53c0d4bd65d0fec4ac74500bc32 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.15 CCC(C)NC(=O)c1nccs1 86d4b256369f71446bfeffc57b2b3594 [0,1,0,0,0,0|2,1,0]=4 295 B12R1.15 CCC(C)NC(=O)c1nnco1 756e21a7ed1e7ddf26c8173f4fc08c03 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.15 CCC(C)OC(C)c1ccco1 bc46d8fa8e7bd9309d8bcffd4ba74cc2 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.15 CCC(C)O[C@H](C)c1ccco1 46d85a570e95008000e90cd65e40bc2e [0,1,0,0,0,0|2,0,1]=4 298 B12R1.15 CCC(O)CC(=O)N1CC=CC1 a3ad604222546e2c55a3531e4d1043a4 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.15 CCC(O)CN(C)c1ncco1 023e87acf6a161f99ebd34aaff7c1b28 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.15 CCN(C)CC(=O)c1ccco1 505744ad759f03e4af74801b751476bf [0,1,0,0,0,0|1,0,0]=2 301 B12R1.15 CCN(C)CC(=O)c1cccs1 59fa2fceece6e869d9632d0cc65b7c6d [0,1,0,0,0,0|1,1,0]=3 302 B12R1.15 CCN(C)CC(=O)c1ccsc1 b410b72ec10b30cef8a92cfd1946fcc1 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.15 CCN(C)CC(=O)c1cocn1 d5e823e8eee8fe36dabd617d0ebd300d [0,1,0,0,0,0|3,0,0]=4 304 B12R1.15 CCN(C)CC(=O)c1ncco1 ed52c5b0c09b3eb8922812d4d6100499 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.15 CCN(C)CC(=O)c1nccs1 b7b7cfff69e48888b436f96f9a19692b [0,1,0,0,0,0|2,1,0]=4 306 B12R1.15 CCN(C)CC(=O)n1cccn1 b71904d800753f4c7690a6b51b581bc6 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.15 CC[C@@H](C)CC(=O)N1CC=CC1 205bbd69af608b297abf776a6b4a0ac4 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.15 CC[C@@H](C)CN(C)c1ncco1 b293847c3617e0db169ec612f2d6c557 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.15 CC[C@@H](C)NC(=O)c1ccco1 7cce0a31f715a783bbfc17be073e3d9e [0,1,0,0,0,0|1,0,0]=2 310 B12R1.15 CC[C@@H](C)NC(=O)c1cccs1 b921176b2c0e80cc582387347d3922a0 [0,1,0,0,0,0|1,1,0]=3 311 B12R1.15 CC[C@@H](C)NC(=O)c1ccno1 553db3b1e6051a7748e2a46770c5c2b1 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.15 CC[C@@H](C)NC(=O)c1ccns1 30b823c77acec950d17595c3e0094fe9 [0,1,0,0,0,0|2,1,0]=4 313 B12R1.15 CC[C@@H](C)NC(=O)c1ccoc1 85bc3b4643426d0de799c6e61157f310 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.15 CC[C@@H](C)NC(=O)c1ccon1 1f170e7d52f220a570845cd71b7c3000 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.15 CC[C@@H](C)NC(=O)c1ccsc1 163ef41036da83deea420d69712a78a4 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.15 CC[C@@H](C)NC(=O)c1ccsn1 a5b702517ec342ae55e91914d9b20fff [0,1,0,0,0,0|3,0,0]=4 317 B12R1.15 CC[C@@H](C)NC(=O)c1cnco1 01720dc5a43907271dac9bb4501771cf [0,1,0,0,0,0|2,0,0]=3 318 B12R1.15 CC[C@@H](C)NC(=O)c1cncs1 a77a77262e269f06121b38f78fa4b7f3 [0,1,0,0,0,0|2,1,0]=4 319 B12R1.15 CC[C@@H](C)NC(=O)c1cocn1 7a252a9d558b69568e61369bbe08ba6d [0,1,0,0,0,0|3,0,0]=4 320 B12R1.15 CC[C@@H](C)NC(=O)c1cscn1 e3f874b95384ac1600c411ce86ff1c59 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.15 CC[C@@H](C)NC(=O)c1ncco1 d0220ae3a0bf70a4a5075d5799acd274 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.15 CC[C@@H](C)NC(=O)c1nccs1 b8ffb2285dd47b155e507ec411d6b94d [0,1,0,0,0,0|2,1,0]=4 323 B12R1.15 CC[C@@H](C)NC(=O)c1nnco1 1dbf43839925fc7b997c67fb0d17908c [0,1,0,0,0,0|3,0,0]=4 324 B12R1.15 CC[C@@H](O)CC(=O)N1CC=CC1 f4912474a97886aa742f2400164a2f60 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.15 CC[C@H](C)CC(=O)N1CC=CC1 1073a5331d5d1a004b015d65d2cc51e2 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.15 CC[C@H](C)CN(C)c1ncco1 2521ff59755779bf9b7cac29977d7116 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 d9059dc6c8f32d289f868af6109bc5c9 [0,1,0,0,0,0|1,0,0]=2 328 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 40ec2d6ba72a6bb80db91849f9e251de [0,1,0,0,0,0|1,1,0]=3 329 B12R1.15 CC[C@H](C)NC(=O)c1ccno1 adbbee4ae5147655e52ffed9b91ce4d5 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.15 CC[C@H](C)NC(=O)c1ccns1 1ed1a1231c76b2b9b032b13ba2c5c8a2 [0,1,0,0,0,0|2,1,0]=4 331 B12R1.15 CC[C@H](C)NC(=O)c1ccoc1 4fac3f4ff88c1597116328be432fd3be [0,1,0,0,0,0|3,0,0]=4 332 B12R1.15 CC[C@H](C)NC(=O)c1ccon1 9799d2da0178aeda4f07c48725b4d7c9 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.15 CC[C@H](C)NC(=O)c1ccsc1 044c7507dbd8ccd1fc0c714c310efa83 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.15 CC[C@H](C)NC(=O)c1ccsn1 abd98a47f426b75f47b8a5080c5edefc [0,1,0,0,0,0|3,0,0]=4 335 B12R1.15 CC[C@H](C)NC(=O)c1cnco1 92024235cfbeb4982c0d2c22bd595a2a [0,1,0,0,0,0|2,0,0]=3 336 B12R1.15 CC[C@H](C)NC(=O)c1cncs1 58c3afd69cc849b969b88dad9c00a21a [0,1,0,0,0,0|2,1,0]=4 337 B12R1.15 CC[C@H](C)NC(=O)c1cocn1 cd2a15af1f9b2e37c6895bd348ae8c92 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.15 CC[C@H](C)NC(=O)c1cscn1 269ca9dd7e36f01d75de44a8ead415c8 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.15 CC[C@H](C)NC(=O)c1ncco1 7b56b1fb6c2f1e18bc570a71e6a3cb7d [0,1,0,0,0,0|2,0,0]=3 340 B12R1.15 CC[C@H](C)NC(=O)c1nccs1 5ce039d4ec78d7cca8595b92e96f46a6 [0,1,0,0,0,0|2,1,0]=4 341 B12R1.15 CC[C@H](C)NC(=O)c1nnco1 32321d3338b4b1cbd48d8ffda231c2cb [0,1,0,0,0,0|3,0,0]=4 342 B12R1.15 CC[C@H](O)CC(=O)N1CC=CC1 ed46bc48c4ddae103169824b7c36beaf [0,1,0,0,0,0|2,0,1]=4 343 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 e6b66bec19c7310b3d33eb9d8584c367 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.15 C[C@@H](CO)NC(=O)c1cccs1 0a5f20a6276603abc864232d3ff328ce [0,1,0,0,0,0|2,1,0]=4 345 B12R1.15 C[C@@H](CO)NC(=O)c1ccno1 c028b959e980c9a70fe6843e97f4397b [0,1,0,0,0,0|3,0,0]=4 346 B12R1.15 C[C@@H](CO)NC(=O)c1cnco1 fe6c7fc11463ba17103f8c34150a1fe8 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.15 C[C@@H](CO)NC(=O)c1ncco1 3a23d109a8a480536afbf36e34a77d32 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.15 C[C@H](CO)NC(=O)c1ccco1 4017f7669408328ed0b90687e2d43bf7 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.15 C[C@H](CO)NC(=O)c1cccs1 69e37dec3cd85e90ffab3c49ae369cfa [0,1,0,0,0,0|2,1,0]=4 350 B12R1.15 C[C@H](CO)NC(=O)c1ccno1 e492129f26f49cf8c0b13dcace78ed6e [0,1,0,0,0,0|3,0,0]=4 351 B12R1.15 C[C@H](CO)NC(=O)c1cnco1 21cd33ab1a1fc9dd9100779039907f4b [0,1,0,0,0,0|3,0,0]=4 352 B12R1.15 C[C@H](CO)NC(=O)c1ncco1 8e0c481b1de0904c844de43e06d12a9b [0,1,0,0,0,0|3,0,0]=4 353 B12R1.29 C#CCNC(=O)c1cc(co1)Br 903cdfa40caa308b439c0fff49754206 [0,1,0,0,0,0|1,0,2]=4 354 B12R1.29 C#CCNC(=O)c1cc(co1)C 320847ae900a4fbfd0ab1e586ed736c0 [0,1,0,0,0,0|1,0,2]=4 355 B12R1.29 C#CCNC(=O)c1cc(co1)Cl acd52529c027953d098b1d640c4f766a [0,1,0,0,0,0|1,0,2]=4 356 B12R1.29 C#CCNC(=O)c1ccc(o1)Br 77e3c3ce76414ece6ea0cbb3a2f71a08 [0,1,0,0,0,0|1,0,2]=4 357 B12R1.29 C#CCNC(=O)c1ccc(o1)C b71b1075d625baf957a1a4026c5f63fe [0,1,0,0,0,0|1,0,2]=4 358 B12R1.29 C#CCNC(=O)c1ccc(o1)Cl 8beb301e6d7892f5362091a00e6445b4 [0,1,0,0,0,0|1,0,2]=4 359 B12R1.29 C#CCNC(=O)c1ccc(o1)F 5ca429537ce4e273a1d98352a401d3ca [0,1,0,0,0,0|1,0,2]=4 360 B12R1.29 C#CCNC(=O)c1ccc(o1)I 44eab28b536804c064b47f58eff08193 [0,1,0,0,0,0|1,0,2]=4 361 B12R1.29 CCCCN(C)c1ccc(o1)C 7de32e6fa497a6d952a794ecf1437856 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.29 CCCNC(=O)C1=CC(=O)CC1 2da574a03df6e4da313604aa333ab64e [0,1,0,0,0,0|2,0,1]=4 363 B12R1.29 CCCNC(=O)c1cc(co1)Br 1d73fc202ccbf48725e93e7e247da8dd [0,1,0,0,0,0|1,0,0]=2 364 B12R1.29 CCCNC(=O)c1cc(co1)C caa3b146fdbfd641c3513d7150bcf14e [0,1,0,0,0,0|1,0,0]=2 365 B12R1.29 CCCNC(=O)c1cc(co1)Cl 6b9852ef6bae11fee04d12b81642f3f1 [0,1,0,0,0,0|1,0,0]=2 366 B12R1.29 CCCNC(=O)c1cc(cs1)Br b78cd733dd85f49dc5f115973354cbea [0,1,0,0,0,0|1,1,0]=3 367 B12R1.29 CCCNC(=O)c1cc(cs1)C 2c1eaccfae4d5dc5e5da3451ee3c6547 [0,1,0,0,0,0|1,1,0]=3 368 B12R1.29 CCCNC(=O)c1cc(cs1)Cl 3453904790d187bf173848696df2adb5 [0,1,0,0,0,0|1,1,0]=3 369 B12R1.29 CCCNC(=O)c1cc(cs1)F 646e2820370bffab186415836d18ae22 [0,1,0,0,0,0|1,1,0]=3 370 B12R1.29 CCCNC(=O)c1cc(cs1)O 66198856725f27420d029423e6958a60 [0,1,0,0,0,0|1,1,0]=3 371 B12R1.29 CCCNC(=O)c1cc(no1)Br 2063f87a91c555c5323df2891c71e152 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.29 CCCNC(=O)c1cc(no1)C f8e9b903bf3ff53c5a734d9ede4db0fd [0,1,0,0,0,0|2,0,0]=3 373 B12R1.29 CCCNC(=O)c1cc(no1)Cl 7e0822a6dd21a31a3e7f4e8666c44967 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.29 CCCNC(=O)c1cc(no1)O 9506c2e6b81e202d1d0158a6cf453a97 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.29 CCCNC(=O)c1cc(ns1)Br 7f1b9878dd0aadcb3e39ffaa7d8365ab [0,1,0,0,0,0|2,1,0]=4 376 B12R1.29 CCCNC(=O)c1cc(ns1)C 63df4f95408112d1851e424ed14ee8bb [0,1,0,0,0,0|2,1,0]=4 377 B12R1.29 CCCNC(=O)c1cc(ns1)Cl 0ac28fd18ddbe997db56ebcd870a60ce [0,1,0,0,0,0|2,1,0]=4 378 B12R1.29 CCCNC(=O)c1cc(on1)C 1d5d544d6a0c0c49167428b8c3f44ef6 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.29 CCCNC(=O)c1cc(on1)Cl 219d7aa9d4229b8a3dc3db88fe246f8f [0,1,0,0,0,0|3,0,0]=4 380 B12R1.29 CCCNC(=O)c1cc(on1)I a164e91d07176d702119bf938e521055 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.29 CCCNC(=O)c1cc(sn1)Br 168f1891a984748eea7a11c5875787bb [0,1,0,0,0,0|3,0,0]=4 382 B12R1.29 CCCNC(=O)c1cc(sn1)C 77fdf80eda7ade76f991c1ff7de2703f [0,1,0,0,0,0|3,0,0]=4 383 B12R1.29 CCCNC(=O)c1ccc(o1)Br 0572fc68b11895ff814444a1ba6ff8e3 [0,1,0,0,0,0|1,0,0]=2 384 B12R1.29 CCCNC(=O)c1ccc(o1)C bf0058a1a234cd93b2ebaa3e54b0e642 [0,1,0,0,0,0|1,0,0]=2 385 B12R1.29 CCCNC(=O)c1ccc(o1)Cl 32c5f0e1e11b57b3e8fa002968ef928b [0,1,0,0,0,0|1,0,0]=2 386 B12R1.29 CCCNC(=O)c1ccc(o1)F 966c7dc2b5809b6ad8a7cbcf19250656 [0,1,0,0,0,0|1,0,0]=2 387 B12R1.29 CCCNC(=O)c1ccc(o1)I d91e64f5bcc20dcc3383dcaa34abd50c [0,1,0,0,0,0|1,0,0]=2 388 B12R1.29 CCCNC(=O)c1ccc(s1)Br 1d4ac5c8f1a9edbcbbf1b006eed3f88a [0,1,0,0,0,0|1,1,0]=3 389 B12R1.29 CCCNC(=O)c1ccc(s1)C f0566454de4885ea08b5b31120297c67 [0,1,0,0,0,0|1,1,0]=3 390 B12R1.29 CCCNC(=O)c1ccc(s1)Cl ef60fe87bd45c69f02d76ee93f97946a [0,1,0,0,0,0|1,1,0]=3 391 B12R1.29 CCCNC(=O)c1ccc(s1)F 9aa86e6aa10b9e8f6c992b1f1298f75d [0,1,0,0,0,0|1,1,0]=3 392 B12R1.29 CCCNC(=O)c1ccc(s1)I 9b49fc66b14fc080bfbcaefe7f2423db [0,1,0,0,0,0|1,1,0]=3 393 B12R1.29 CCCNC(=O)c1ccn(c1)C febce661ac141246601cc82b97a6bbb2 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.29 CCCNC(=O)c1ccn(n1)C 1ee40e0269f55aa5239f072460d9c730 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.29 CCCNC(=O)c1cn(cn1)C 3e48334b588ed31b597b5237014ae810 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.29 CCCNC(=O)c1cnc(o1)Br b280df77112c1ffd6320ffb051d12896 [0,1,0,0,0,0|2,0,0]=3 397 B12R1.29 CCCNC(=O)c1cnc(o1)C e19b8167b309fb02d334ecc147cb1eaa [0,1,0,0,0,0|2,0,0]=3 398 B12R1.29 CCCNC(=O)c1cnc(o1)Cl ebce6f20187ffc300dd327b17443dd01 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.29 CCCNC(=O)c1cnc(o1)I 7f1717e1889cc93b10fb55f9394148c3 [0,1,0,0,0,0|2,0,0]=3 400 B12R1.29 CCCNC(=O)c1cnc(o1)O ca2b22cdd71fdf924d2ff9c4dd142dde [0,1,0,0,0,0|2,0,0]=3 401 B12R1.29 CCCNC(=O)c1cnc(s1)Br 9cd2c7100dd87d136a780d23e62208e0 [0,1,0,0,0,0|2,1,0]=4 402 B12R1.29 CCCNC(=O)c1cnc(s1)C 3d59616f8c84bfea3c625b1a448e37ae [0,1,0,0,0,0|2,1,0]=4 403 B12R1.29 CCCNC(=O)c1cnc(s1)Cl db2bd78a78215ba73b16f88a0930ae19 [0,1,0,0,0,0|2,1,0]=4 404 B12R1.29 CCCNC(=O)c1coc(c1)Br 8c7a6ce0db33b2552f00b093bf31b542 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.29 CCCNC(=O)c1coc(c1)C a355eb767aa594d39e59dc8f15d40248 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.29 CCCNC(=O)c1coc(n1)Br 8258885e78715181dae80dbe147bd727 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.29 CCCNC(=O)c1coc(n1)C 310e27e62fdeab374b3dfe74fe12ccb7 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.29 CCCNC(=O)c1coc(n1)Cl 74cd3fc41412e2d0f212210757008193 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.29 CCCNC(=O)c1csc(c1)Br 95821410078def27ea5474659f2b1643 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.29 CCCNC(=O)c1csc(c1)C d03ed353d6c7c039472e2bae9534a021 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.29 CCCNC(=O)c1csc(c1)Cl 129c844502f79b3906a56c6a4ef434a8 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.29 CCCNC(=O)c1csc(c1)I 7c4e76d7bd2d72feac67d39d48624d60 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.29 CCCNC(=O)c1csc(n1)Br 17d3fc3bb15dc9953a7825e05a74c2f0 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.29 CCCNC(=O)c1csc(n1)C 5375c9a5fa7fa359a53be83e140e4cc3 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.29 CCCNC(=O)c1csc(n1)Cl 376d7076a838aa9d33882d3a0d7a1280 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.29 CCCNC(=O)c1csc(n1)I a99c4d1a83540e8fb2b3ed37f5b9947b [0,1,0,0,0,0|3,0,0]=4 417 B12R1.29 CCCNC(=O)c1nc(co1)Br 6b59f061205431ab1850c4010b155366 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.29 CCCNC(=O)c1nc(co1)C b881c890d7bed1d6db3f4b2499a7fd96 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.29 CCCNC(=O)c1nc(cs1)Br d2b9dc64a38af0feb5443431ddf60e8e [0,1,0,0,0,0|2,1,0]=4 420 B12R1.29 CCCNC(=O)c1nc(cs1)C 639e37ffe1feb7950a5ace78d01e6244 [0,1,0,0,0,0|2,1,0]=4 421 B12R1.29 CCCNC(=O)c1nc(cs1)Cl 1f667c11993df67d4fd74c1e476ebd46 [0,1,0,0,0,0|2,1,0]=4 422 B12R1.29 CCCNC(=O)c1nc(no1)C abe8022976eafbc472990b0cedbb4581 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.29 CCCNC(=O)c1ncc(o1)Br 59344be2df3b891a7bce8afcc07324c7 [0,1,0,0,0,0|2,0,0]=3 424 B12R1.29 CCCNC(=O)c1ncc(o1)C a749cbf26b6fa9d7a68209296d15dc84 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.29 CCCNC(=O)c1ncc(s1)Br 629ab25ced4683b79559a12d9927a70a [0,1,0,0,0,0|2,1,0]=4 426 B12R1.29 CCCNC(=O)c1ncc(s1)C 902d1c515c1f02e708b223eaf129c345 [0,1,0,0,0,0|2,1,0]=4 427 B12R1.29 CCCNC(=O)c1nnc(o1)C 24f542fb0869da94323a90a6a24b3b21 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.29 CCCNC(C)c1ccc(o1)C f67d3c7cc5122f3180d8cff508c5ff2d [0,1,0,0,0,0|2,0,1]=4 429 B12R1.29 CCCN[C@H](C)c1ccc(o1)C d23ccfc5d8626157b75eaaa0bbea01fc [0,1,0,0,0,0|2,0,1]=4 430 B12R1.29 COCCN(C)c1ccc(o1)C 71dda6d676bce0f8de07b4b65768c4cd [0,1,0,0,0,0|3,0,0]=4 431 B12R1.29 CSCCN(C)c1ccc(o1)C 05fe02972360bb32db196dc6e5f15ab5 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.29 Cc1cc(on1)C(=O)NCCBr 4fb186a85b7466b86fe905d0a72f2b0e [0,1,0,0,0,0|3,0,0]=4 433 B12R1.29 Cc1cc(on1)C(=O)NCCF e77ed50bac4108f029eec965189752f1 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.29 Cc1cc(on1)C(=O)NCCI 10a26634a5fa356b0ee536d05215d17d [0,1,0,0,0,0|3,0,0]=4 435 B12R1.29 Cc1cc(on1)C(=O)NCCO fdb0154c101ea73b1063010f5f67d70e [0,1,0,0,0,0|3,0,0]=4 436 B12R1.29 Cc1cc(on1)C(=O)NCCS cc834541c7b392f0d72cb294013c76a8 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.29 Cc1ccc(o1)C(=O)CNC#N 0e4ec6927489f1d749cba66155ed0d8d [0,1,0,0,0,0|2,0,1]=4 438 B12R1.29 Cc1ccc(o1)C(=O)NCC#N d1bff0e3ac91453190adb961f3259477 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.29 Cc1ccc(o1)C(=O)NCCBr 1976370165bd9e115d577a9cf2d38418 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.29 Cc1ccc(o1)C(=O)NCCF e9256ee3327de9d1981d513cf7b6b076 [0,1,0,0,0,0|2,0,0]=3 441 B12R1.29 Cc1ccc(o1)C(=O)NCCI 7a3f480de5124339c96df83571160f71 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.29 Cc1ccc(o1)C(=O)NCCO bf77870bebccf0a7cef09871885fee21 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.29 Cc1ccc(o1)C(=O)NCCS cd206eb1148f595c6b95744be811d86b [0,1,0,0,0,0|2,0,0]=3 444 B12R1.29 Cc1ccc(o1)N(C)CCCO 6b14d22d28449bd76d1d2bd131047050 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.29 Cc1ccc(s1)C(=O)NCCBr 231fb7cdb6128a2a8804373f11396862 [0,1,0,0,0,0|2,1,0]=4 446 B12R1.29 Cc1ccc(s1)C(=O)NCCF 0bc36d774a29857c387f440b062139ff [0,1,0,0,0,0|2,1,0]=4 447 B12R1.29 Cc1ccc(s1)C(=O)NCCI 963a9eae366bbbfacae98d046978601b [0,1,0,0,0,0|2,1,0]=4 448 B12R1.29 Cc1ccc(s1)C(=O)NCCO a1ff210591b486de6e98356d512c7b61 [0,1,0,0,0,0|2,1,0]=4 449 B12R1.29 Cc1ccc(s1)C(=O)NCCS dc10fecb1c508ef46a6baad7c80d9012 [0,1,0,0,0,0|2,1,0]=4 450 B12R1.29 Cc1cnc(o1)C(=O)NCCBr a2163b9b0a73740e4e7052d03331a77b [0,1,0,0,0,0|3,0,0]=4 451 B12R1.29 Cc1cnc(o1)C(=O)NCCF 0fecb242e1603547c14e6cc13b39791c [0,1,0,0,0,0|3,0,0]=4 452 B12R1.29 Cc1cnc(o1)C(=O)NCCI 69e0d8abceae45906ce2a5fb956fd1c7 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.29 Cc1cnc(o1)C(=O)NCCO 31c390c2734f7f9353d74c4761935701 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.29 Cc1cnc(o1)C(=O)NCCS 3fbcfc02f9bf8778a895083ac6b96f06 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.29 Cc1coc(c1)C(=O)NCC#N 8f65ac7dd3fe8c1c5eaea4ede5f6c14e [0,1,0,0,0,0|2,0,1]=4 456 B12R1.29 Cc1coc(c1)C(=O)NCCBr 9df332631fa993b40646f091751ba9a3 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.29 Cc1coc(c1)C(=O)NCCF 76619d712d9dc6834d59a939666ade85 [0,1,0,0,0,0|2,0,0]=3 458 B12R1.29 Cc1coc(c1)C(=O)NCCI c6be568e858ef2a05bfaa17f8da7810c [0,1,0,0,0,0|2,0,0]=3 459 B12R1.29 Cc1coc(c1)C(=O)NCCO 099173875a299d51a3b49a41c6b8f665 [0,1,0,0,0,0|2,0,0]=3 460 B12R1.29 Cc1coc(c1)C(=O)NCCS 33ad353cae195e6c1d1e42b98bbff63a [0,1,0,0,0,0|2,0,0]=3 461 B12R1.29 Cc1coc(n1)C(=O)NCCBr 68c71db269a8b572b8a9c24650d78a0f [0,1,0,0,0,0|3,0,0]=4 462 B12R1.29 Cc1coc(n1)C(=O)NCCF 6440dc947fed0dcfe072182149a1a7b2 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.29 Cc1coc(n1)C(=O)NCCI 224a1db2c840052dfa0645e663ea6025 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.29 Cc1coc(n1)C(=O)NCCO 35fc48259cd660a5ddfe479ed7cd7bec [0,1,0,0,0,0|3,0,0]=4 465 B12R1.29 Cc1coc(n1)C(=O)NCCS 5b56e3e948fd404326eaf9e773a32e6c [0,1,0,0,0,0|3,0,0]=4 466 B12R1.29 Cc1csc(c1)C(=O)NCCF 7e11bacf0d9b7cfb08139ce8aa838f25 [0,1,0,0,0,0|2,1,0]=4 467 B12R1.29 Cc1csc(c1)C(=O)NCCI a60fd679507d2ad0de7c04d2a68a4b8c [0,1,0,0,0,0|2,1,0]=4 468 B12R1.29 Cc1csc(c1)C(=O)NCCO a3f50ebb232efe2da1306f59b06eeebb [0,1,0,0,0,0|2,1,0]=4 469 B12R1.29 Cc1csc(c1)C(=O)NCCS 542ab7a1aaad277aa274c1676d9acfc1 [0,1,0,0,0,0|2,1,0]=4 470 B12R1.29 Cc1ncc(o1)C(=O)NCCBr 5da4f960659a92fedda80491e0ea386d [0,1,0,0,0,0|3,0,0]=4 471 B12R1.29 Cc1ncc(o1)C(=O)NCCF e207bed84a0c3272b857d3a9fdbbc051 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.29 Cc1ncc(o1)C(=O)NCCI d7005966a95996713a4213f8ea716801 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.29 Cc1ncc(o1)C(=O)NCCO 82ce1ba7adcaac5aeeedde01d8d47e60 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.29 Cc1ncc(o1)C(=O)NCCS 8d8d1d26f126e12fa24e8bb541d30d10 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.29 N#CCNC(=O)c1cc(co1)Br cf1dbdf5c3c83f23e75c2833228331cc [0,1,0,0,0,0|2,0,1]=4 476 B12R1.29 N#CCNC(=O)c1cc(co1)Cl 36f3bfa133149a1caae0a8e9e11130f3 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.29 N#CCNC(=O)c1ccc(o1)Br db9f14961d176bea8c3797d87c006883 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.29 N#CCNC(=O)c1ccc(o1)Cl 6612d97e420a079fe2952ad701996f35 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.29 N#CCNC(=O)c1ccc(o1)F b80800e4d7b51c8db56668e3fd35a6b2 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.29 N#CCNC(=O)c1ccc(o1)I e12dd31c02676f64d89f88e4a6361a0d [0,1,0,0,0,0|2,0,1]=4 481 B12R1.29 O=C(NCCBr)c1cc(co1)Br 1921ded338f8326c0ffc1ccee5d72437 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.29 O=C(NCCBr)c1cc(co1)Cl 8e7e48603983720c0561329840c30848 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.29 O=C(NCCBr)c1cc(cs1)Br 1d98f8632f72d2e623b68775042ebb1d [0,1,0,0,0,0|2,1,0]=4 484 B12R1.29 O=C(NCCBr)c1cc(cs1)O 68c313d39656c626b2e6042c7c778497 [0,1,0,0,0,0|2,1,0]=4 485 B12R1.29 O=C(NCCBr)c1cc(no1)Br ee2dfbcf5a8ee06c8c15a92d956ef6e8 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.29 O=C(NCCBr)c1cc(no1)Cl 6ea523f4def766035693f8f83f018678 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.29 O=C(NCCBr)c1cc(no1)O 2a2ef7bdc51208679ac70364e156b52f [0,1,0,0,0,0|3,0,0]=4 488 B12R1.29 O=C(NCCBr)c1ccc(o1)Br cdc9f7bbd765aa9216048193d611d60f [0,1,0,0,0,0|2,0,0]=3 489 B12R1.29 O=C(NCCBr)c1ccc(o1)Cl 09d8c61c8ad62ce03e775e895a76f677 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.29 O=C(NCCBr)c1ccc(o1)F 35c304bda5349c28898ef4614ada650d [0,1,0,0,0,0|2,0,0]=3 491 B12R1.29 O=C(NCCBr)c1ccc(o1)I 095fd697eae55c9604d66f2700469fc0 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.29 O=C(NCCBr)c1ccc(s1)F c18c57d7027d6681c7708b596b071454 [0,1,0,0,0,0|2,1,0]=4 493 B12R1.29 O=C(NCCBr)c1ccc(s1)I ba52aa7f405b357c85a46d58c8ff9ee5 [0,1,0,0,0,0|2,1,0]=4 494 B12R1.29 O=C(NCCBr)c1cnc(o1)Br 125bb23259a297047fe55a704835d4ec [0,1,0,0,0,0|3,0,0]=4 495 B12R1.29 O=C(NCCBr)c1cnc(o1)Cl d34c241bfc9128aff18c825b539d0ee5 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.29 O=C(NCCBr)c1cnc(o1)I 2e934e973dbe0ec05738472b75149a19 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.29 O=C(NCCBr)c1cnc(o1)O 77c99bc55f28562bf821862cd286d362 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.29 O=C(NCCBr)c1nc(co1)Br 9bbaaef517250059d343da697bbaf911 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.29 O=C(NCCBr)c1ncc(o1)Br e5407264172699477f6639e4f3d601e9 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.29 O=C(NCCF)c1cc(co1)Br 803cdce98b76139139c3c8cb74fec13a [0,1,0,0,0,0|2,0,0]=3 501 B12R1.29 O=C(NCCF)c1cc(co1)Cl 336c12622d18e99cece0576b2545c752 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.29 O=C(NCCF)c1cc(cs1)Br cce3ea56bfae2c319bce40b44e2b1aeb [0,1,0,0,0,0|2,1,0]=4 503 B12R1.29 O=C(NCCF)c1cc(cs1)Cl 4d800181d53ecef4549c3666203fd2e5 [0,1,0,0,0,0|2,1,0]=4 504 B12R1.29 O=C(NCCF)c1cc(cs1)F 53b04f8c8aa70e6b3ae45a9dc9c04582 [0,1,0,0,0,0|2,1,0]=4 505 B12R1.29 O=C(NCCF)c1cc(cs1)O 916429a5416b2602693951eaff8fba42 [0,1,0,0,0,0|2,1,0]=4 506 B12R1.29 O=C(NCCF)c1cc(no1)Br 523e74e36cff6ccad6734cc34d57a06c [0,1,0,0,0,0|3,0,0]=4 507 B12R1.29 O=C(NCCF)c1cc(no1)Cl c9e06fa7de7266e3d47f4359ca13c4ea [0,1,0,0,0,0|3,0,0]=4 508 B12R1.29 O=C(NCCF)c1cc(no1)O 6802b97c9f95fce8de7f9873dd04612c [0,1,0,0,0,0|3,0,0]=4 509 B12R1.29 O=C(NCCF)c1ccc(o1)Br dee47b280e278232c7604e8870c574c5 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.29 O=C(NCCF)c1ccc(o1)Cl 41a117e4dfe68b80c6d5695c166ec095 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.29 O=C(NCCF)c1ccc(o1)F 3069db320f9110af93ca6b125306b1ae [0,1,0,0,0,0|2,0,0]=3 512 B12R1.29 O=C(NCCF)c1ccc(o1)I 9decc9f275576393751b16d6fa720bc8 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.29 O=C(NCCF)c1ccc(s1)Br dbf5eb94b0be9597f70d45584de0486a [0,1,0,0,0,0|2,1,0]=4 514 B12R1.29 O=C(NCCF)c1ccc(s1)Cl 72e8d4ed0d530ab269b6b54992b193f8 [0,1,0,0,0,0|2,1,0]=4 515 B12R1.29 O=C(NCCF)c1ccc(s1)F 143bed4e578c740a3584ac147fef6e72 [0,1,0,0,0,0|2,1,0]=4 516 B12R1.29 O=C(NCCF)c1ccc(s1)I 6dbee7019b66499198fa11b276d01c81 [0,1,0,0,0,0|2,1,0]=4 517 B12R1.29 O=C(NCCF)c1cnc(o1)Br 611ae168ac7cb2ee9a57c3a76714c1e2 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.29 O=C(NCCF)c1cnc(o1)Cl 7ee2d155b6f43df3a86d632990b7a64e [0,1,0,0,0,0|3,0,0]=4 519 B12R1.29 O=C(NCCF)c1cnc(o1)I ac5d92d908b1d8156e90e4aa5fd3dd20 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.29 O=C(NCCF)c1cnc(o1)O f08ba0c4c409842eeede2c2a3caaee9a [0,1,0,0,0,0|3,0,0]=4 521 B12R1.29 O=C(NCCF)c1nc(co1)Br 39b336a5be9de39d626194006aa418bd [0,1,0,0,0,0|3,0,0]=4 522 B12R1.29 O=C(NCCF)c1ncc(o1)Br efe482af05fcb714c63a03bcf68f1e65 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.29 O=C(NCCI)c1cc(co1)Br 594eb414f59773ba7a232d2a761bb65b [0,1,0,0,0,0|2,0,0]=3 524 B12R1.29 O=C(NCCI)c1cc(co1)Cl b659af50bd579d65a5f19827097e75fd [0,1,0,0,0,0|2,0,0]=3 525 B12R1.29 O=C(NCCI)c1cc(cs1)Br 4ceaa44a52bad19038ced32af718453e [0,1,0,0,0,0|2,1,0]=4 526 B12R1.29 O=C(NCCI)c1cc(cs1)Cl e5edb2a5d5bbda8bcb7d425a12ba2539 [0,1,0,0,0,0|2,1,0]=4 527 B12R1.29 O=C(NCCI)c1cc(cs1)F 055abbdb617cc81cc71d8c9dde085248 [0,1,0,0,0,0|2,1,0]=4 528 B12R1.29 O=C(NCCI)c1cc(cs1)O 22b140367c3171127355adaeaec5099d [0,1,0,0,0,0|2,1,0]=4 529 B12R1.29 O=C(NCCI)c1cc(no1)Br 3fb94b92f6baddb9bd694d545a29719e [0,1,0,0,0,0|3,0,0]=4 530 B12R1.29 O=C(NCCI)c1cc(no1)Cl 11d3a400b146d65b2cbb69184c5c5683 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.29 O=C(NCCI)c1cc(no1)O c6311171d7d5d81e870eb85f310f0226 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.29 O=C(NCCI)c1ccc(o1)Br 8c576de7d862d5fb04a85e81baf165e4 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.29 O=C(NCCI)c1ccc(o1)Cl 1fcce1a0ec9116dd5e677b3480371b4b [0,1,0,0,0,0|2,0,0]=3 534 B12R1.29 O=C(NCCI)c1ccc(o1)F 7a8fa7405ec9d933d7c1f64d8f3bb205 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.29 O=C(NCCI)c1ccc(o1)I f1cf6208261e243d32a1aa51ec0c57c2 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.29 O=C(NCCI)c1ccc(s1)Br 25cf163e4443c193dfa6065d7788b61d [0,1,0,0,0,0|2,1,0]=4 537 B12R1.29 O=C(NCCI)c1ccc(s1)Cl 89beea4380467648151bc4fb2e025a66 [0,1,0,0,0,0|2,1,0]=4 538 B12R1.29 O=C(NCCI)c1ccc(s1)F aa710fecfa69beaa0af3239990826e05 [0,1,0,0,0,0|2,1,0]=4 539 B12R1.29 O=C(NCCI)c1ccc(s1)I 31eecea351bb881ed5389525f39e80e2 [0,1,0,0,0,0|2,1,0]=4 540 B12R1.29 O=C(NCCI)c1cnc(o1)Br 459467c044ba9dee65869b8caac7b31a [0,1,0,0,0,0|3,0,0]=4 541 B12R1.29 O=C(NCCI)c1cnc(o1)Cl e428ebd906247a7192acea1174e22529 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.29 O=C(NCCI)c1cnc(o1)I f4e460fc4632b228b402ec8c3571dbd2 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.29 O=C(NCCI)c1cnc(o1)O 6a5fa06a7cabbaef273666bfd25304e5 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.29 O=C(NCCI)c1nc(co1)Br bae4c4e33e14e9610dc07a00f6cbafaf [0,1,0,0,0,0|3,0,0]=4 545 B12R1.29 O=C(NCCI)c1ncc(o1)Br 9994851a3f4ef3ed57ead4bdbf4feb98 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.29 O=C(NCCO)c1cc(co1)Br aa96f30b601dfd6a62187fdf0120f5a5 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.29 O=C(NCCO)c1cc(co1)Cl 7df0808c0d2f326f0497eb2f6d75f224 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.29 O=C(NCCO)c1cc(cs1)Br 16c2cdc01968787b7958d6903646de3d [0,1,0,0,0,0|2,1,0]=4 549 B12R1.29 O=C(NCCO)c1cc(cs1)Cl d687ab9ef82c176f275c92d24b499eb1 [0,1,0,0,0,0|2,1,0]=4 550 B12R1.29 O=C(NCCO)c1cc(cs1)F c105dfa9facb38f622682877381b6025 [0,1,0,0,0,0|2,1,0]=4 551 B12R1.29 O=C(NCCO)c1cc(cs1)O 79df12c9aaa54bf648bf72b00e4bee53 [0,1,0,0,0,0|2,1,0]=4 552 B12R1.29 O=C(NCCO)c1cc(no1)Br c652ff4e624151f6b69bedcb0b43ea6a [0,1,0,0,0,0|3,0,0]=4 553 B12R1.29 O=C(NCCO)c1cc(no1)Cl bc7db046adae9cd8613dbf3966766652 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.29 O=C(NCCO)c1cc(no1)O 88ffe78d17bde7ad30b102cb7d8635bc [0,1,0,0,0,0|3,0,0]=4 555 B12R1.29 O=C(NCCO)c1ccc(o1)Br 3ee9ab02ecd015ae20ac87b239eae60c [0,1,0,0,0,0|2,0,0]=3 556 B12R1.29 O=C(NCCO)c1ccc(o1)Cl 2cd22fe021fee93ecce15335e8f348ee [0,1,0,0,0,0|2,0,0]=3 557 B12R1.29 O=C(NCCO)c1ccc(o1)F 7347da9cf1ed270bc84918b1e3bf42d5 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.29 O=C(NCCO)c1ccc(o1)I 9561cdf8f6a7e2f27a433506e3fd9d5c [0,1,0,0,0,0|2,0,0]=3 559 B12R1.29 O=C(NCCO)c1ccc(s1)Br f4eaa42654bcefb4412a2a3a8e1b9115 [0,1,0,0,0,0|2,1,0]=4 560 B12R1.29 O=C(NCCO)c1ccc(s1)Cl 15197255ee455159328fc4b0d92457bd [0,1,0,0,0,0|2,1,0]=4 561 B12R1.29 O=C(NCCO)c1ccc(s1)F 341fa5b43b148eb4f5a508363e8813ee [0,1,0,0,0,0|2,1,0]=4 562 B12R1.29 O=C(NCCO)c1ccc(s1)I 1f6e1514df53ca111734910070640db9 [0,1,0,0,0,0|2,1,0]=4 563 B12R1.29 O=C(NCCO)c1cnc(o1)Br e4bed761dd0729e634fcf139bbf1a975 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.29 O=C(NCCO)c1cnc(o1)Cl 0fdccbb820871f88beae796e64681bc0 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.29 O=C(NCCO)c1cnc(o1)I adfb6527890fcecc74b93b8eb63f716a [0,1,0,0,0,0|3,0,0]=4 566 B12R1.29 O=C(NCCO)c1cnc(o1)O e9471eb5fdb73a33bda69f3b3e9185b7 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.29 O=C(NCCO)c1nc(co1)Br eeaa2af1f971875e3709a2cd2da0aa3c [0,1,0,0,0,0|3,0,0]=4 568 B12R1.29 O=C(NCCO)c1ncc(o1)Br 63a6b350df41bff7cd70c6c77eb74ae8 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.29 O=C(NCCS)c1cc(co1)Br 9a18e82def4c6cf01226d0446d83fbea [0,1,0,0,0,0|2,0,0]=3 570 B12R1.29 O=C(NCCS)c1cc(co1)Cl 7c9c7b086d17eff895c4d2e3c5130a76 [0,1,0,0,0,0|2,0,0]=3 571 B12R1.29 O=C(NCCS)c1cc(cs1)Br 4442465a5904c78f882b2ac58eb6bf7e [0,1,0,0,0,0|2,1,0]=4 572 B12R1.29 O=C(NCCS)c1cc(cs1)Cl 72355003a8d9eb7eb56e76de2a6790d4 [0,1,0,0,0,0|2,1,0]=4 573 B12R1.29 O=C(NCCS)c1cc(cs1)F 14fb39a6227c7a135616d61aa94e2da6 [0,1,0,0,0,0|2,1,0]=4 574 B12R1.29 O=C(NCCS)c1cc(cs1)O 40f4f0c77f728d401477a0332d21fbdc [0,1,0,0,0,0|2,1,0]=4 575 B12R1.29 O=C(NCCS)c1cc(no1)Br 938961b1e373c901d71950c911c64522 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.29 O=C(NCCS)c1cc(no1)Cl 0663195aca05be661d0655ae6dac440c [0,1,0,0,0,0|3,0,0]=4 577 B12R1.29 O=C(NCCS)c1cc(no1)O 1da9ada0bfea1c5a9a87dee7bd855790 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.29 O=C(NCCS)c1ccc(o1)Br f573d334bad2a09f348fb020a5488a8c [0,1,0,0,0,0|2,0,0]=3 579 B12R1.29 O=C(NCCS)c1ccc(o1)Cl 41f349734d3b319ff480ee186527e4f6 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.29 O=C(NCCS)c1ccc(o1)F 8485b3a584a1c3a71b8bf56bba1c2f56 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.29 O=C(NCCS)c1ccc(o1)I b36f59d008cf8f54b43beab559204ecf [0,1,0,0,0,0|2,0,0]=3 582 B12R1.29 O=C(NCCS)c1ccc(s1)Br ed1e9d1a947f2e35f9afa960fd4b47d1 [0,1,0,0,0,0|2,1,0]=4 583 B12R1.29 O=C(NCCS)c1ccc(s1)Cl 6df2cc69ddfeda4a68d2c1653ac198b3 [0,1,0,0,0,0|2,1,0]=4 584 B12R1.29 O=C(NCCS)c1ccc(s1)F 1bb099a11949810c903780cb1430bd98 [0,1,0,0,0,0|2,1,0]=4 585 B12R1.29 O=C(NCCS)c1ccc(s1)I 34ec60f5d57e2e771649c403cf7af428 [0,1,0,0,0,0|2,1,0]=4 586 B12R1.29 O=C(NCCS)c1cnc(o1)Br 9e40ea1957719de156d650ca6f2591da [0,1,0,0,0,0|3,0,0]=4 587 B12R1.29 O=C(NCCS)c1cnc(o1)Cl 690d41aff47762bc425afa61e2704c44 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.29 O=C(NCCS)c1cnc(o1)I 5b04cd26ff2f8dd91823f3ca0515d7cd [0,1,0,0,0,0|3,0,0]=4 589 B12R1.29 O=C(NCCS)c1cnc(o1)O 4c23ac1e7277c23230f45a3afdae9747 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.29 O=C(NCCS)c1nc(co1)Br 25d122904598dae75f19fc101726a71d [0,1,0,0,0,0|3,0,0]=4 591 B12R1.29 O=C(NCCS)c1ncc(o1)Br d2be5e29f4fbb2d017d7bf10e932a19b [0,1,0,0,0,0|3,0,0]=4 592 B12R1.35 C#CCCNC(=O)c1ccco1 ffe27fddd7a8be1f040fab6d20586d86 [0,1,0,0,0,0|0,0,2]=3 593 B12R1.35 C#CCCNC(=O)c1cccs1 508af79faaa6ad3ba6c30c8936051dbc [0,1,0,0,0,0|0,1,2]=4 594 B12R1.35 C#CCCNC(=O)c1ccno1 806365b9e472e7956de6b14e0ea2909b [0,1,0,0,0,0|1,0,2]=4 595 B12R1.35 C#CCCNC(=O)c1cnco1 137f37378f1cf02e91d7a8267ed0e47c [0,1,0,0,0,0|1,0,2]=4 596 B12R1.35 C#CCCNC(=O)c1ncco1 7dae52582fb1d57cfc21a30a574560f4 [0,1,0,0,0,0|1,0,2]=4 597 B12R1.35 C#CCNCC(=O)c1ccco1 930089fddb76d0efe492e1af24fd65a5 [0,1,0,0,0,0|0,0,2]=3 598 B12R1.35 C#CCNCC(=O)c1cccs1 ef839fdc395cb0c5ef81763346abe3be [0,1,0,0,0,0|0,1,2]=4 599 B12R1.35 C#CCNCC(=O)c1ncco1 014af6605a294a61d82777e47b24ae87 [0,1,0,0,0,0|1,0,2]=4 600 B12R1.35 C#CCOCC(=O)c1ccco1 8f93bc89869bec7b2f297061541f48fc [0,1,0,0,0,0|0,0,2]=3 601 B12R1.35 C#CCOCC(=O)c1cccs1 5e322c28160436f791ea76411657f110 [0,1,0,0,0,0|0,1,2]=4 602 B12R1.35 C#CCOCC(=O)c1ncco1 fe28d8da674cf34faf3fbb6a7def51fb [0,1,0,0,0,0|1,0,2]=4 603 B12R1.35 C=CCCNC(=O)c1ccco1 82c93730bd5cba16663ae4a43411a3cf [0,1,0,0,0,0|0,0,2]=3 604 B12R1.35 C=CCCNC(=O)c1cccs1 7435dd7056b5bc35e71da8838791a448 [0,1,0,0,0,0|0,1,2]=4 605 B12R1.35 C=CCCNC(=O)c1ccno1 76e01ec713269cf218459eb1646f3f95 [0,1,0,0,0,0|1,0,2]=4 606 B12R1.35 C=CCCNC(=O)c1cnco1 66c3258e8bafab3946c792aeb2cf8225 [0,1,0,0,0,0|1,0,2]=4 607 B12R1.35 C=CCCNC(=O)c1ncco1 55021bfec1874c3fb70545b342855379 [0,1,0,0,0,0|1,0,2]=4 608 B12R1.35 C=CCOCC(=O)c1ccco1 05e80fa26905d5161fc61af2d3f7806e [0,1,0,0,0,0|0,0,2]=3 609 B12R1.35 CC#CCNC(=O)c1ccco1 73fb4cbf33676028a47b5dbd71cc53db [0,1,0,0,0,0|0,0,2]=3 610 B12R1.35 CC#CCNC(=O)c1cccs1 98474c99187a189c06961db9b57afe94 [0,1,0,0,0,0|0,1,2]=4 611 B12R1.35 CC#CCNC(=O)c1ccno1 2897a9d78be98647bb87d224f3f6f581 [0,1,0,0,0,0|1,0,2]=4 612 B12R1.35 CC#CCNC(=O)c1cnco1 0f002f12add9dd6e665a9c4ffb4fb41d [0,1,0,0,0,0|1,0,2]=4 613 B12R1.35 CC#CCNC(=O)c1ncco1 b8feb064743af0a9a8a076587d34b4a8 [0,1,0,0,0,0|1,0,2]=4 614 B12R1.35 CC(NCCCF)c1ccco1 4ddb4e472d105323be4dab690bf02540 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.35 CC(NCCCO)c1ccco1 cfecb952e7d95dba4fc7c4aab7fc2c74 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.35 CC(NCCCS)c1ccco1 f39c909b6e0edd62c06237ad1d87c56c [0,1,0,0,0,0|2,0,1]=4 617 B12R1.35 CC(OCCCF)c1ccco1 6684b51580516c6771a7a21bcd0ef135 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.35 CC=CCNC(=O)c1ccco1 913767bbde344c40703f3011cc15b69e [0,1,0,0,0,0|0,0,2]=3 619 B12R1.35 CC=CCNC(=O)c1cccs1 256ef922b6a74cf14c732f1e8cbc0c11 [0,1,0,0,0,0|0,1,2]=4 620 B12R1.35 CC=CCNC(=O)c1ccno1 1d5fe360e6a6520450f552575a2c6fce [0,1,0,0,0,0|1,0,2]=4 621 B12R1.35 CC=CCNC(=O)c1cnco1 da06017d25cdb07c1707e71cd9afc452 [0,1,0,0,0,0|1,0,2]=4 622 B12R1.35 CC=CCNC(=O)c1ncco1 069596794feb59c2ebc76dbb25fac4d9 [0,1,0,0,0,0|1,0,2]=4 623 B12R1.35 CCCCCC(=O)N1CC=CC1 7f66938992139f5e64b457214364e2ea [0,1,0,0,0,0|2,0,1]=4 624 B12R1.35 CCCCCN(C)c1ncco1 cdda9c128a779ddbd24c6779a12da3f8 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.35 CCCCNC(=O)C1=CCCC1 f6687151d7ce721c87b19e34a0221c73 [0,1,0,0,0,0|1,0,2]=4 626 B12R1.35 CCCCNC(=O)C1=CCOC1 cbe1507cbc05dde418640bbc91034c8d [0,1,0,0,0,0|2,0,1]=4 627 B12R1.35 CCCCNC(=O)C1=COCC1 54c2abf0d7fd7a5d172ece0e46e0ec2d [0,1,0,0,0,0|2,0,1]=4 628 B12R1.35 CCCCNC(=O)N1CC=CC1 f0d51137a2c234d790f44c692d71fb28 [0,1,0,0,0,0|2,0,1]=4 629 B12R1.35 CCCCNC(=O)c1ccco1 65cf84a005a8f3d7f73aa434d4a30611 [0,1,0,0,0,0|0,0,0]=1 630 B12R1.35 CCCCNC(=O)c1cccs1 c862d5aaaebdbe3c2c9bb74e709185b8 [0,1,0,0,0,0|0,1,0]=2 631 B12R1.35 CCCCNC(=O)c1ccno1 4748a6b955d046f3d9e60b44a9d686c5 [0,1,0,0,0,0|1,0,0]=2 632 B12R1.35 CCCCNC(=O)c1ccns1 01e64d9d28123d1993e62fc4ce2f0bab [0,1,0,0,0,0|1,1,0]=3 633 B12R1.35 CCCCNC(=O)c1ccoc1 678355c6ba173140bb8d9524b846083a [0,1,0,0,0,0|2,0,0]=3 634 B12R1.35 CCCCNC(=O)c1ccon1 4c2a595f60ab1ac2aab3ab5d659ce60b [0,1,0,0,0,0|2,0,0]=3 635 B12R1.35 CCCCNC(=O)c1ccsc1 103c0bec82bdf228124e99a6c8f8b0e0 [0,1,0,0,0,0|2,0,0]=3 636 B12R1.35 CCCCNC(=O)c1ccsn1 f1c38626e8231f411ccaeda7ca0551d4 [0,1,0,0,0,0|2,0,0]=3 637 B12R1.35 CCCCNC(=O)c1cnco1 dd7d8ac51b69e38c27b1409fbe4da013 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.35 CCCCNC(=O)c1cncs1 b2789d1219d3620ddddf3bac84d5d60c [0,1,0,0,0,0|1,1,0]=3 639 B12R1.35 CCCCNC(=O)c1cnns1 99ff9300ac0061e5a3eb23a1077d05e5 [0,1,0,0,0,0|2,1,0]=4 640 B12R1.35 CCCCNC(=O)c1cnoc1 85b71e37d7b962e7d92cb4ee989e4046 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.35 CCCCNC(=O)c1cnon1 61de87af109d7e3f5a3125b48dad6677 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.35 CCCCNC(=O)c1cnsc1 df2c510c0d50112edaabc2e40f50136a [0,1,0,0,0,0|3,0,0]=4 643 B12R1.35 CCCCNC(=O)c1cnsn1 aeb91aaeea3f9850d3f969e5107334f5 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.35 CCCCNC(=O)c1cocn1 3bcb8d4f8994ef86ba9e4a5e169d6c7c [0,1,0,0,0,0|2,0,0]=3 645 B12R1.35 CCCCNC(=O)c1cscn1 7957a39474abebc032da2c5b5790b704 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.35 CCCCNC(=O)c1csnn1 fb3686a20f362f1391066402ab301f92 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.35 CCCCNC(=O)c1ncco1 485f7ae0cec806006770a2853b53cfb1 [0,1,0,0,0,0|1,0,0]=2 648 B12R1.35 CCCCNC(=O)c1nccs1 6021569b0303c5056da3294415ea56ff [0,1,0,0,0,0|1,1,0]=3 649 B12R1.35 CCCCNC(=O)c1ncns1 437605bd49b05a63d013e33c84d0000d [0,1,0,0,0,0|2,1,0]=4 650 B12R1.35 CCCCNC(=O)c1ncon1 5b2f722c67f5d9da20dee699542ab865 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.35 CCCCNC(=O)c1nnco1 6714f5b08221a551667cdaa9109469fa [0,1,0,0,0,0|2,0,0]=3 652 B12R1.35 CCCCNC(C)c1ccco1 5fa17c0d8862cc5174ea0b902da1b422 [0,1,0,0,0,0|1,0,1]=3 653 B12R1.35 CCCCNC(C)c1cccs1 5fcd0424c4d5a4015b62609832f44aee [0,1,0,0,0,0|1,1,1]=4 654 B12R1.35 CCCCNC(C)c1ncco1 3beb66a2a16c39423ecb1eed9335e795 [0,1,0,0,0,0|2,0,1]=4 655 B12R1.35 CCCCN[C@@H](C)c1cccs1 d03dea8602c5e7697a582754c07de3d9 [0,1,0,0,0,0|1,1,1]=4 656 B12R1.35 CCCCN[C@H](C)c1ccco1 e72b348acd08587bf11f5b08b6438b09 [0,1,0,0,0,0|1,0,1]=3 657 B12R1.35 CCCCN[C@H](C)c1cccs1 9755ab7eb4d083afc8ccc56a6dde31b0 [0,1,0,0,0,0|1,1,1]=4 658 B12R1.35 CCCCOC(C)c1ccco1 fe8f0e28181437956db0721b05737b54 [0,1,0,0,0,0|1,0,1]=3 659 B12R1.35 CCCCOC(C)c1cccs1 cc7f87865181212a4986a324ee20dfba [0,1,0,0,0,0|1,1,1]=4 660 B12R1.35 CCCCOC(C)c1ncco1 ba6e8a5928d4b05b679144387b3b237d [0,1,0,0,0,0|2,0,1]=4 661 B12R1.35 CCCCO[C@@H](C)c1cccs1 ceddb9f24b838e434a2e14ab7c652f59 [0,1,0,0,0,0|1,1,1]=4 662 B12R1.35 CCCCO[C@H](C)c1ccco1 c8f73cb3192dc92625d4a38db87a2194 [0,1,0,0,0,0|1,0,1]=3 663 B12R1.35 CCCCO[C@H](C)c1cccs1 dd6f69a02b8f60501bf7a6d008e83891 [0,1,0,0,0,0|1,1,1]=4 664 B12R1.35 CCCNCC(=O)c1ccc[nH]1 b45c80b5745ab22b13e155d1ca00670c [0,1,0,0,0,0|1,0,0]=2 665 B12R1.35 CCCNCC(=O)c1ccco1 52e5a58dc04027848e4346689b25e2f7 [0,1,0,0,0,0|0,0,0]=1 666 B12R1.35 CCCNCC(=O)c1cccs1 c1b3d4b90186ca5a56266465c790ba7d [0,1,0,0,0,0|0,1,0]=2 667 B12R1.35 CCCNCC(=O)c1ccsc1 34d66d158018e103b0f3c59d5ed4baef [0,1,0,0,0,0|2,0,0]=3 668 B12R1.35 CCCNCC(=O)c1cocn1 d7decb1a9402c6dc37a2af0867d72aff [0,1,0,0,0,0|2,0,0]=3 669 B12R1.35 CCCNCC(=O)c1ncco1 224df0efc2aa02fa3b2050b7d10e9373 [0,1,0,0,0,0|1,0,0]=2 670 B12R1.35 CCCNCC(=O)c1nccs1 9afaa5ef76bb7b07d99802233adbf2e1 [0,1,0,0,0,0|1,1,0]=3 671 B12R1.35 CCCNCC(=O)n1cccn1 f41fdd9f0a9be1c2336a3643a2700f9c [0,1,0,0,0,0|2,0,0]=3 672 B12R1.35 CCCNCC(O)c1ccco1 7366d63705288cdd55be06286e0b45ac [0,1,0,0,0,0|0,0,2]=3 673 B12R1.35 CCCNCC(O)c1cccs1 37491094fe09bd6c95ff82e5a0373971 [0,1,0,0,0,0|0,1,2]=4 674 B12R1.35 CCCOCC(=O)N1CC=CC1 cb0b69fede843deb0b175e95a29fc8eb [0,1,0,0,0,0|2,0,1]=4 675 B12R1.35 CCCOCC(=O)c1ccco1 2663e8a78cc2c66d8f0bef1c516df59c [0,1,0,0,0,0|0,0,0]=1 676 B12R1.35 CCCOCC(=O)c1cccs1 f6a57f7b2db711e8ca5e47686ecb3eb9 [0,1,0,0,0,0|0,1,0]=2 677 B12R1.35 CCCOCC(=O)c1ccsc1 1f807ec8271a8bb247477f329c0b036f [0,1,0,0,0,0|2,0,0]=3 678 B12R1.35 CCCOCC(=O)c1cocn1 d3269abc459e7c90323af54a86fba01a [0,1,0,0,0,0|2,0,0]=3 679 B12R1.35 CCCOCC(=O)c1ncco1 6d042b1b2564793faa935375ec2312e1 [0,1,0,0,0,0|1,0,0]=2 680 B12R1.35 CCCOCC(=O)c1nccs1 358c5f6fa062a7dc07cfcd5a6b4755aa [0,1,0,0,0,0|1,1,0]=3 681 B12R1.35 CCCOCC(=O)n1cccn1 a29cbf96a38e8a6e15bb5c03425d7dd9 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.35 CCCSCC(=O)N1CC=CC1 a8cb71d071da01624b432cf1d220d6f7 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.35 CCOCCC(=O)N1CC=CC1 456c0e382f63a0bfcad514b6225d661a [0,1,0,0,0,0|2,0,1]=4 684 B12R1.35 CCOCCN(C)c1ncco1 64860db9ba6687136d28ed2a85984a97 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.35 CCOCNC(C)c1ccco1 5205984ccf94a1288b55fac17657559e [0,1,0,0,0,0|2,0,1]=4 686 B12R1.35 CCOCN[C@H](C)c1ccco1 e7fb9ced2cd9c811d07f6d66edf2d16a [0,1,0,0,0,0|2,0,1]=4 687 B12R1.35 CCSCCC(=O)N1CC=CC1 5a32e6f039ef0d8322baa03b1c5afd26 [0,1,0,0,0,0|2,0,1]=4 688 B12R1.35 CCSCCN(C)c1ncco1 9edc165e6e66e479dc12a4056b89485d [0,1,0,0,0,0|3,0,0]=4 689 B12R1.35 CN(CCCCF)c1ncco1 a0fff5d204326f0bdd0deb5e15caa8d2 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.35 CN(CCCCO)c1cccs1 7a2265143718ced9945d1757c70b987d [0,1,0,0,0,0|2,1,0]=4 691 B12R1.35 CN(CCCCO)c1ncco1 293d8140aad044a4a7b1394dbb5de797 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.35 COCCCC(=O)N1CC=CC1 0f98bf7b297c242be09c58d624c993b6 [0,1,0,0,0,0|2,0,1]=4 693 B12R1.35 COCCCN(C)c1cccs1 f0a44848953d16f4ea37ab8b39009fe8 [0,1,0,0,0,0|2,1,0]=4 694 B12R1.35 COCCCN(C)c1ncco1 50eae82c2fe4a5cbac360123d631a983 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.35 COCCNC(=O)c1ccco1 1ba4106ac1c62a9dd3104605c90677b1 [0,1,0,0,0,0|1,0,0]=2 696 B12R1.35 COCCNC(=O)c1cccs1 7d76769a5daa0cc50ddead860daa247b [0,1,0,0,0,0|1,1,0]=3 697 B12R1.35 COCCNC(=O)c1ccno1 9b228c17e1906b48a5a6e6a1d9d83189 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.35 COCCNC(=O)c1ccns1 6813dc1634faef32c63c16425ca02158 [0,1,0,0,0,0|2,1,0]=4 699 B12R1.35 COCCNC(=O)c1ccoc1 d640ed17b178a9463f44f388b85ae154 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.35 COCCNC(=O)c1ccon1 1c8244b0a8969a092096769aae1c4288 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.35 COCCNC(=O)c1ccsc1 4d248b611c2540244ca33299a0b351e6 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.35 COCCNC(=O)c1ccsn1 557ac09ceaef601ea8d416c11d07cdb8 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.35 COCCNC(=O)c1cnco1 b1fd0b33298a5a065bf59df9afc95532 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.35 COCCNC(=O)c1cncs1 19b5df55ee41543518b6ea29733e055e [0,1,0,0,0,0|2,1,0]=4 705 B12R1.35 COCCNC(=O)c1cocn1 bd51d3ce6a3225de9b29adb168e00bfe [0,1,0,0,0,0|3,0,0]=4 706 B12R1.35 COCCNC(=O)c1cscn1 92e669395e9cf2d69cf1977a98064739 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.35 COCCNC(=O)c1ncco1 dc4a1125964f79b68157106265141be5 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.35 COCCNC(=O)c1nccs1 a800b52698081a3209bd7339cd6194c6 [0,1,0,0,0,0|2,1,0]=4 709 B12R1.35 COCCNC(=O)c1nnco1 2464cbdc0f571f0286260b2e3c965913 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.35 COCCNC(C)c1ccco1 7000ea5d2b4446b5f6ba8ff7c5ebc35f [0,1,0,0,0,0|2,0,1]=4 711 B12R1.35 COCCN[C@H](C)c1ccco1 672406f63ade7c702bd7f3066a9ba8c2 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.35 COCCOC(C)c1ccco1 75dbd55770d9e4f9ae51538b4aecb097 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.35 COCCO[C@H](C)c1ccco1 48b47ddbca8aa3fe9607d6d21b2af301 [0,1,0,0,0,0|2,0,1]=4 714 B12R1.35 COCNCC(O)c1ccco1 42dd71073c9113d0d3255f385a07ee73 [0,1,0,0,0,0|1,0,2]=4 715 B12R1.35 COCOCC(=O)c1ccco1 c04e6378f3be6545200ce78af75d26d7 [0,1,0,0,0,0|1,0,0]=2 716 B12R1.35 COCOCC(=O)c1cccs1 794506d81521683c42c25c12db992171 [0,1,0,0,0,0|1,1,0]=3 717 B12R1.35 COCOCC(=O)c1ccsc1 8b475e112600b330763d9653719aa519 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.35 COCOCC(=O)c1cocn1 91b9ce67398daaa6e7d32f6ef605da9f [0,1,0,0,0,0|3,0,0]=4 719 B12R1.35 COCOCC(=O)c1ncco1 6a96492833e4b611b5abecb17cccb15d [0,1,0,0,0,0|2,0,0]=3 720 B12R1.35 COCOCC(=O)c1nccs1 5b5c15ca0620a59f180a293dc5838d0e [0,1,0,0,0,0|2,1,0]=4 721 B12R1.35 COCOCC(=O)n1cccn1 80a35c29c8e81c009f75826522ee0c1b [0,1,0,0,0,0|3,0,0]=4 722 B12R1.35 CSCCCC(=O)N1CC=CC1 c47110a8d59dc9b38e2e9310808a0349 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.35 CSCCCN(C)c1ncco1 20890ace983716af6ad7e75d576e835e [0,1,0,0,0,0|3,0,0]=4 724 B12R1.35 CSCCNC(=O)c1ccco1 a69bf3067f8baad0adb058cde5fa2051 [0,1,0,0,0,0|1,0,0]=2 725 B12R1.35 CSCCNC(=O)c1cccs1 d7c7c6461dc356a9e5958adf7742c549 [0,1,0,0,0,0|1,1,0]=3 726 B12R1.35 CSCCNC(=O)c1ccno1 75bac86f9ca91b4719a6a8fb76ce69a9 [0,1,0,0,0,0|2,0,0]=3 727 B12R1.35 CSCCNC(=O)c1ccns1 c03fef2138e68133bca5821c1334a96e [0,1,0,0,0,0|2,1,0]=4 728 B12R1.35 CSCCNC(=O)c1ccoc1 d178d06442d56b0d8abdd301ddd7acf9 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.35 CSCCNC(=O)c1ccon1 f5b64fee12cdcd32ec58b8c12075eeac [0,1,0,0,0,0|3,0,0]=4 730 B12R1.35 CSCCNC(=O)c1ccsc1 3ce00b344e24c301f76574a49aebcefa [0,1,0,0,0,0|3,0,0]=4 731 B12R1.35 CSCCNC(=O)c1ccsn1 2980aef4608d3a3458e2c2b33f3c375c [0,1,0,0,0,0|3,0,0]=4 732 B12R1.35 CSCCNC(=O)c1cnco1 475098bfcdbf908489b8c7eabc76e74e [0,1,0,0,0,0|2,0,0]=3 733 B12R1.35 CSCCNC(=O)c1cncs1 4ccd61c81bd9e60d3de07f7e03b6e4dc [0,1,0,0,0,0|2,1,0]=4 734 B12R1.35 CSCCNC(=O)c1cocn1 4b57b3fdca7099ccc1061d27e6a88b3f [0,1,0,0,0,0|3,0,0]=4 735 B12R1.35 CSCCNC(=O)c1cscn1 70c15832f6ede9ae4025b671e390c4ca [0,1,0,0,0,0|3,0,0]=4 736 B12R1.35 CSCCNC(=O)c1ncco1 36bf8d3418148391af454dbc12e9b29d [0,1,0,0,0,0|2,0,0]=3 737 B12R1.35 CSCCNC(=O)c1nccs1 1ceb9d7e19d7de09a960dda4c0066e5d [0,1,0,0,0,0|2,1,0]=4 738 B12R1.35 CSCCNC(=O)c1nnco1 aee118f6febb8b83e95a79af63df3467 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.35 CSCCNC(C)c1ccco1 4b5626a66c7fd216d2003e30ca72d214 [0,1,0,0,0,0|2,0,1]=4 740 B12R1.35 CSCCN[C@H](C)c1ccco1 d844b7a7ab28ef410e5d80f1263fa14d [0,1,0,0,0,0|2,0,1]=4 741 B12R1.35 CSCCOC(C)c1ccco1 94418dc2f0fdb95362691abf99918cc6 [0,1,0,0,0,0|2,0,1]=4 742 B12R1.35 CSCCO[C@H](C)c1ccco1 c4513f119488c2d2c41a2da6e031c5e7 [0,1,0,0,0,0|2,0,1]=4 743 B12R1.35 CSCNCC(O)c1ccco1 89d5590380d9d4b065787cafacf595e1 [0,1,0,0,0,0|1,0,2]=4 744 B12R1.35 CSCOCC(=O)c1ccco1 2a4db24dce384e7277ba0d53a7bdd7b5 [0,1,0,0,0,0|1,0,0]=2 745 B12R1.35 C[C@@H](NCCCF)c1ccco1 846fdade5e1ccb98c92a5c9a41bb0a5f [0,1,0,0,0,0|2,0,1]=4 746 B12R1.35 C[C@@H](NCCCO)c1ccco1 436075ccd49060c0dd6ff88d14820f8d [0,1,0,0,0,0|2,0,1]=4 747 B12R1.35 C[C@@H](NCCCS)c1ccco1 75a224985230f4d8428519202e72641e [0,1,0,0,0,0|2,0,1]=4 748 B12R1.35 C[C@@H](OCCCF)c1ccco1 24cbb7e409d407fe9e5058b77b5c1dd8 [0,1,0,0,0,0|2,0,1]=4 749 B12R1.35 N#CCCNC(=O)c1ccco1 aec4114149b0335e0e831f1ed96fec46 [0,1,0,0,0,0|1,0,1]=3 750 B12R1.35 N#CCCNC(=O)c1cccs1 74ac4cf704cdebd734ae00c2815ef5cd [0,1,0,0,0,0|1,1,1]=4 751 B12R1.35 N#CCCNC(=O)c1ccno1 5226a985f5a454b598e97ceb7fa0f070 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.35 N#CCCNC(=O)c1cnco1 86c64857b0592df41c44947d2ae944b0 [0,1,0,0,0,0|2,0,1]=4 753 B12R1.35 N#CCCNC(=O)c1ncco1 4818bb2fbe8e0fbe055d9ead80880166 [0,1,0,0,0,0|2,0,1]=4 754 B12R1.35 N#CCNCC(=O)c1ccco1 006b0b9e91c43e65148424c978f92edc [0,1,0,0,0,0|1,0,1]=3 755 B12R1.35 N#CCNCC(=O)c1cccs1 0e02621b65b2c6c255a6cc08351ef0ef [0,1,0,0,0,0|1,1,1]=4 756 B12R1.35 N#CCNCC(=O)c1ncco1 6f5433999eb2d425897f8e69c7110d43 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.35 N#CCOCC(=O)c1ccco1 bdc2e48469b83aacc61e96f742b2d101 [0,1,0,0,0,0|1,0,1]=3 758 B12R1.35 N#CCOCC(=O)c1cccs1 71f36771bc1317fcefc06bcf14863002 [0,1,0,0,0,0|1,1,1]=4 759 B12R1.35 N#CCOCC(=O)c1ncco1 6247f8fc8a8214ee96d8556474160f85 [0,1,0,0,0,0|2,0,1]=4 760 B12R1.35 N#CNCCC(=O)c1cccs1 1396aa121dc3897cad3307f32e237b88 [0,1,0,0,0,0|1,1,1]=4 761 B12R1.35 NOCCNC(=O)c1ccco1 ab907f56c1892c90588456a27807336c [0,1,0,0,0,0|2,0,0]=3 762 B12R1.35 NOCCNC(=O)c1cccs1 2ffaffac95977b056c81866f4f751e88 [0,1,0,0,0,0|2,1,0]=4 763 B12R1.35 NOCCNC(=O)c1ccno1 a70f273519065344ab7bedf7e9ce6b62 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.35 NOCCNC(=O)c1cnco1 046c26f9ea88a769dbb62a51907cf6b9 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.35 NOCCNC(=O)c1ncco1 ea4035ddf3ace5ab6bbdc4845907ab67 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.35 O=C(CCCCF)N1CC=CC1 ffccf6ffe1553493bb8b6c5e0926accd [0,1,0,0,0,0|2,0,1]=4 767 B12R1.35 O=C(CCCCO)N1CC=CC1 c85b218cb42ff0b9f9d330d8a0514b37 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.35 O=C(CCCCS)N1CC=CC1 490cbd1975b21d598ccd35af68bc29c4 [0,1,0,0,0,0|2,0,1]=4 769 B12R1.35 O=C(CNCCBr)c1ccc[nH]1 d1e94a08cb223d6bad0caad4a10537cc [0,1,0,0,0,0|2,0,0]=3 770 B12R1.35 O=C(CNCCBr)c1ccco1 093fbd01ef262aff341ddffdf5ee04fe [0,1,0,0,0,0|1,0,0]=2 771 B12R1.35 O=C(CNCCBr)c1cccs1 5a15e4ca3e408c72245327c408588d6b [0,1,0,0,0,0|1,1,0]=3 772 B12R1.35 O=C(CNCCBr)c1ccsc1 9e11206225d80edd8b864edcd676c853 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.35 O=C(CNCCBr)c1cocn1 3f80d6b996f57c7e75a4e87151ef86de [0,1,0,0,0,0|3,0,0]=4 774 B12R1.35 O=C(CNCCBr)c1ncco1 7039e7ec6f9d3e0af1d8be3d91f0341a [0,1,0,0,0,0|2,0,0]=3 775 B12R1.35 O=C(CNCCBr)c1nccs1 a5d7b5c80d6c9c5a39042fa4bf5d4575 [0,1,0,0,0,0|2,1,0]=4 776 B12R1.35 O=C(CNCCBr)n1cccn1 f41dc6b9ad7f6222712cb85340a751fc [0,1,0,0,0,0|3,0,0]=4 777 B12R1.35 O=C(CNCCF)c1ccc[nH]1 c2dea22d138bd9401d1c47542ce2d8b6 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.35 O=C(CNCCF)c1ccco1 3212932b5d0c27f158e3a5df5d6ea998 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.35 O=C(CNCCF)c1cccs1 f8643ac39a51a7092610a184e7c361d6 [0,1,0,0,0,0|1,1,0]=3 780 B12R1.35 O=C(CNCCF)c1ccsc1 402d17221344ea8c2f11c04b47308811 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.35 O=C(CNCCF)c1cocn1 c0e47ff797a3b63a123b3c033b78aa0b [0,1,0,0,0,0|3,0,0]=4 782 B12R1.35 O=C(CNCCF)c1ncco1 d0cd5799d60ebe718bd55684f958abb1 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.35 O=C(CNCCF)c1nccs1 d5ae9fd1a615b795fd78f94bc559ed00 [0,1,0,0,0,0|2,1,0]=4 784 B12R1.35 O=C(CNCCF)n1cccn1 534181fbea7e7032badb756eada5e0cc [0,1,0,0,0,0|3,0,0]=4 785 B12R1.35 O=C(CNCCI)c1ccc[nH]1 81e8ede4179798471ee02518032ebfcf [0,1,0,0,0,0|2,0,0]=3 786 B12R1.35 O=C(CNCCI)c1ccco1 afc2dde93b188d0a67ec2f1860018a9e [0,1,0,0,0,0|1,0,0]=2 787 B12R1.35 O=C(CNCCI)c1cccs1 7d43785f1f10a2fda0097e2fcdbf6e6c [0,1,0,0,0,0|1,1,0]=3 788 B12R1.35 O=C(CNCCI)c1ccsc1 8316b81f25a4f1af406702ce81ba8644 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.35 O=C(CNCCI)c1cocn1 bce18ff81e1dec2e6c60eaa1babf9fa3 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.35 O=C(CNCCI)c1ncco1 38e3759986893a00080059ed53110364 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.35 O=C(CNCCI)c1nccs1 f887cdd99dd5947cab63936ddb08818a [0,1,0,0,0,0|2,1,0]=4 792 B12R1.35 O=C(CNCCI)n1cccn1 a5e60083fde9bdf838381a53af876f8b [0,1,0,0,0,0|3,0,0]=4 793 B12R1.35 O=C(CNCCO)c1ccc[nH]1 5d125e581a65f71372151c1a719d8488 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.35 O=C(CNCCO)c1ccco1 d5383ff02d65f08eb3404f223c9c6d97 [0,1,0,0,0,0|1,0,0]=2 795 B12R1.35 O=C(CNCCO)c1cccs1 d8934e8c14b1f044b19a79eccde62c24 [0,1,0,0,0,0|1,1,0]=3 796 B12R1.35 O=C(CNCCO)c1ccsc1 94d21bab5340482528313652fa4d2686 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.35 O=C(CNCCO)c1cocn1 5529213df4e3b2bcbcb33514c5c75fc9 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.35 O=C(CNCCO)c1ncco1 9a2789a0010abbe1ddefcb50465aa883 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.35 O=C(CNCCO)c1nccs1 38b9ec777cea69567e4b571eed81f144 [0,1,0,0,0,0|2,1,0]=4 800 B12R1.35 O=C(CNCCO)n1cccn1 a11077cb2c4fcbdb7e3a4305d607f936 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.35 O=C(CNCCS)c1ccc[nH]1 c0fb8915c2b30bf182263b9b828ec444 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.35 O=C(CNCCS)c1ccco1 e684c3dea7dd267caa054cbb9ca463ea [0,1,0,0,0,0|1,0,0]=2 803 B12R1.35 O=C(CNCCS)c1cccs1 850fdd7037e2da77c9f877ba2cbdc7a9 [0,1,0,0,0,0|1,1,0]=3 804 B12R1.35 O=C(CNCCS)c1ccsc1 5388a170e9b7990295713c1bce8b149c [0,1,0,0,0,0|3,0,0]=4 805 B12R1.35 O=C(CNCCS)c1cocn1 6131ff2084c1487ce4dfc144a903e3bc [0,1,0,0,0,0|3,0,0]=4 806 B12R1.35 O=C(CNCCS)c1ncco1 cbb46db144c9025a6282036f4d2a93c9 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.35 O=C(CNCCS)c1nccs1 aacb2e12bf18fe4f6c4342fa0a5145bd [0,1,0,0,0,0|2,1,0]=4 808 B12R1.35 O=C(CNCCS)n1cccn1 eb4fdf42206222738f514e2f7caab5c8 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.35 O=C(COCCF)c1ccco1 d89e1194cc503dddcfcdc82294ac60b6 [0,1,0,0,0,0|1,0,0]=2 810 B12R1.35 O=C(COCCF)c1cccs1 6f45c6e7c1324c6b36b387a33eaa608c [0,1,0,0,0,0|1,1,0]=3 811 B12R1.35 O=C(COCCF)c1ccsc1 742748b3f7798d83dd4e67b8d0d98495 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.35 O=C(COCCF)c1cocn1 56e8982979a4fa73e99ec884882f524a [0,1,0,0,0,0|3,0,0]=4 813 B12R1.35 O=C(COCCF)c1ncco1 f3537024858c2098a8f151256ebe083a [0,1,0,0,0,0|2,0,0]=3 814 B12R1.35 O=C(COCCF)c1nccs1 2545492839a250b73f0d12817269354f [0,1,0,0,0,0|2,1,0]=4 815 B12R1.35 O=C(COCCF)n1cccn1 bea7e3accd3f4fc34c26fee83f009b05 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.35 O=C(COCCS)c1ccco1 bd7ad890a33fecfd6981343493efb3ab [0,1,0,0,0,0|1,0,0]=2 817 B12R1.35 O=C(COCCS)c1cccs1 0d6a4a041f6506ec8271b93853b31b90 [0,1,0,0,0,0|1,1,0]=3 818 B12R1.35 O=C(COCCS)c1ccsc1 348609afb3d30dccd2c88270732dc58d [0,1,0,0,0,0|3,0,0]=4 819 B12R1.35 O=C(COCCS)c1cocn1 9ac15b807f51c454275e82e3c97121e6 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.35 O=C(COCCS)c1ncco1 cab65fb6b499a46672575aebb7678b67 [0,1,0,0,0,0|2,0,0]=3 821 B12R1.35 O=C(COCCS)c1nccs1 8f9bd40db69468cb65efd4f338e4fccd [0,1,0,0,0,0|2,1,0]=4 822 B12R1.35 O=C(COCCS)n1cccn1 a0a8a473f02ed45930c3eb3aab4ef826 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.35 O=C(NCCCCl)c1ccco1 d3af86f857f33a7e2d41e591ef63af7c [0,1,0,0,0,0|1,0,0]=2 824 B12R1.35 O=C(NCCCCl)c1cccs1 5a44972a3292e4b9eb8047d915c512fd [0,1,0,0,0,0|1,1,0]=3 825 B12R1.35 O=C(NCCCCl)c1ccno1 cb2d5df48ca51e99ed62fb050419dfb9 [0,1,0,0,0,0|2,0,0]=3 826 B12R1.35 O=C(NCCCCl)c1ccns1 ecd56a6c9e091b22efbca7bf778e72aa [0,1,0,0,0,0|2,1,0]=4 827 B12R1.35 O=C(NCCCCl)c1ccoc1 63b832d2ae10702e16bb9f61092614c1 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.35 O=C(NCCCCl)c1ccon1 bc0e45002ba665576bcbda03e6d03fee [0,1,0,0,0,0|3,0,0]=4 829 B12R1.35 O=C(NCCCCl)c1ccsc1 1a8c02b3bb9c9e7f9295d40b058f5041 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.35 O=C(NCCCCl)c1ccsn1 5ae3f5a8785d203d3027152263f72635 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.35 O=C(NCCCCl)c1cnco1 40f6ca4099a81875a0307b11b8fd781e [0,1,0,0,0,0|2,0,0]=3 832 B12R1.35 O=C(NCCCCl)c1cncs1 8185757cb4670476b5a79156636456d0 [0,1,0,0,0,0|2,1,0]=4 833 B12R1.35 O=C(NCCCCl)c1cocn1 fc86d104cab415c48fadecf518cfe27b [0,1,0,0,0,0|3,0,0]=4 834 B12R1.35 O=C(NCCCCl)c1cscn1 4a384362abf2dc96b3c1c03305ae21ad [0,1,0,0,0,0|3,0,0]=4 835 B12R1.35 O=C(NCCCCl)c1ncco1 93ea779643e96166d31c12ce49e330c3 [0,1,0,0,0,0|2,0,0]=3 836 B12R1.35 O=C(NCCCCl)c1nccs1 e970814b0830933a019fba5035356e0c [0,1,0,0,0,0|2,1,0]=4 837 B12R1.35 O=C(NCCCCl)c1nnco1 6316f19008a877a98720e2516cb812cb [0,1,0,0,0,0|3,0,0]=4 838 B12R1.35 O=C(NCCCO)c1ccco1 3c05ef5378c282e6f10b4d56d3317666 [0,1,0,0,0,0|1,0,0]=2 839 B12R1.35 O=C(NCCCO)c1cccs1 bf45c272e31b29fc7f8036f0cadbbfd1 [0,1,0,0,0,0|1,1,0]=3 840 B12R1.35 O=C(NCCCO)c1ccno1 11dd641c80dbb784016620638857a31f [0,1,0,0,0,0|2,0,0]=3 841 B12R1.35 O=C(NCCCO)c1ccns1 042b61cf0107158fb594afd34365701d [0,1,0,0,0,0|2,1,0]=4 842 B12R1.35 O=C(NCCCO)c1ccoc1 193edfcdf86b0180115f817cb6b23aaf [0,1,0,0,0,0|3,0,0]=4 843 B12R1.35 O=C(NCCCO)c1ccon1 a236f8944022d6880728763c293b1461 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.35 O=C(NCCCO)c1ccsc1 0dc4fe16e34c340a16e8580f40e798bb [0,1,0,0,0,0|3,0,0]=4 845 B12R1.35 O=C(NCCCO)c1ccsn1 c0cd5ef5e1fa41ab6c564b69928608cf [0,1,0,0,0,0|3,0,0]=4 846 B12R1.35 O=C(NCCCO)c1cnco1 35eca8ad6298d0c2fa2998827d0949c3 [0,1,0,0,0,0|2,0,0]=3 847 B12R1.35 O=C(NCCCO)c1cncs1 c52cedffec8bfa4488efe3c243840156 [0,1,0,0,0,0|2,1,0]=4 848 B12R1.35 O=C(NCCCO)c1cocn1 cd0a138b300c105e0127d0ac334440f8 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.35 O=C(NCCCO)c1cscn1 ac8e59b2b8129bb2f13a983463a133c7 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.35 O=C(NCCCO)c1ncco1 cbcc794b59930e46dbcd6f87197bcff7 [0,1,0,0,0,0|2,0,0]=3 851 B12R1.35 O=C(NCCCO)c1nccs1 5f143565360308c61caaf97c452c68b0 [0,1,0,0,0,0|2,1,0]=4 852 B12R1.35 O=C(NCCCO)c1nnco1 ba0a1d4960b268ca8ee33879ccdbe9c3 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.35 O=CCOCC(=O)c1ccco1 69321b1cdda39ce7f2c33b187955d20b [0,1,0,0,0,0|1,0,1]=3 854 B12R1.35 OC(CNCCF)c1ccco1 7bdb4c173e9dcf40b242633ff1195604 [0,1,0,0,0,0|1,0,2]=4 855 B12R1.35 OC(CNCCS)c1ccco1 68f0b5be7b21df61ce7995f02c88b011 [0,1,0,0,0,0|1,0,2]=4 856 B12R1.35 OCCNCC(O)c1ccco1 d00a7ef2dd56d9269c2f5bd6d3ede4fb [0,1,0,0,0,0|1,0,2]=4 857 B12R1.36 CCCCN(CC)c1ncco1 6cb63e119ebed154edcc1379c5853346 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.36 CCCNC(CC)c1ccco1 864ef8187e6bad07f36f2b86debe9f63 [0,1,0,0,0,0|2,0,1]=4 859 B12R1.36 CCCOC(CC)c1ccco1 0e459dd3c5626b928854ffe4b1afb756 [0,1,0,0,0,0|2,0,1]=4 860 B12R1.54 C=C(Br)CNC(=O)c1ccco1 cce07c146e882649625fdb23df6f8457 [0,1,0,0,0,0|1,0,2]=4 861 B12R1.54 C=C(C)CNC(=O)c1ccco1 752f4ba6ec69df06823be272bf8de6cc [0,1,0,0,0,0|1,0,1]=3 862 B12R1.54 C=C(C)CNC(=O)c1cccs1 2320e6e113e1bc31a109255aad33a6de [0,1,0,0,0,0|1,1,1]=4 863 B12R1.54 C=C(C)CNC(=O)c1ccno1 3adf80e804e7373dd88d276f2d97ba9c [0,1,0,0,0,0|2,0,1]=4 864 B12R1.54 C=C(C)CNC(=O)c1cnco1 690be135dd036870ec561586d43ee29a [0,1,0,0,0,0|2,0,1]=4 865 B12R1.54 C=C(C)CNC(=O)c1ncco1 1ab49c2fc02e153551a1889147cb12c5 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.54 CC(=O)CNC(=O)c1ccco1 56654b89a8dfbd72cd379dbeb9d1b7b7 [0,1,0,0,0,0|1,0,1]=3 867 B12R1.54 CC(=O)CNC(=O)c1cccs1 fe215c13eefaa2b3c150fade8c32cef7 [0,1,0,0,0,0|1,1,1]=4 868 B12R1.54 CC(=O)CNC(=O)c1ccno1 1c79ea6cd80917f1f1bedea0f3721d92 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.54 CC(=O)CNC(=O)c1cnco1 1b135ac91161c17ce956cbe0b85c44f7 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.54 CC(=O)CNC(=O)c1ncco1 61dcf8f0a01e0a143701fa96502f453a [0,1,0,0,0,0|2,0,1]=4 871 B12R1.54 CC(C)CCC(=O)N1CC=CC1 9203c2a647579be941fd11208ad76fbf [0,1,0,0,0,0|2,0,1]=4 872 B12R1.54 CC(C)CCN(C)c1ncco1 3e22376d2c5fefef92076cb3959e9614 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.54 CC(C)CNC(=O)c1ccco1 30af187b533e7dcd58f9654a3fbfb2e8 [0,1,0,0,0,0|1,0,0]=2 874 B12R1.54 CC(C)CNC(=O)c1cccs1 d824d6664b7180afb486efdf0caa6926 [0,1,0,0,0,0|1,1,0]=3 875 B12R1.54 CC(C)CNC(=O)c1ccno1 2c33878bfe5ddb51408756bd3fda599b [0,1,0,0,0,0|2,0,0]=3 876 B12R1.54 CC(C)CNC(=O)c1ccns1 d9bc3575757ad8a15bfd4dc6dfd128ae [0,1,0,0,0,0|2,1,0]=4 877 B12R1.54 CC(C)CNC(=O)c1ccoc1 7d12faefdc9f122fcd6bf0b4fab2cc88 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.54 CC(C)CNC(=O)c1ccon1 3a4c4e34f9c6346b78c131fb6a950a2f [0,1,0,0,0,0|3,0,0]=4 879 B12R1.54 CC(C)CNC(=O)c1ccsc1 2c26d772fc6a56aa10cf44b13069baa6 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.54 CC(C)CNC(=O)c1ccsn1 15d8640606852556156507189a145b3a [0,1,0,0,0,0|3,0,0]=4 881 B12R1.54 CC(C)CNC(=O)c1cnco1 9c42c082067405e1fa5458d447bfbff0 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.54 CC(C)CNC(=O)c1cncs1 b1e956de68953f334d97f660037329a0 [0,1,0,0,0,0|2,1,0]=4 883 B12R1.54 CC(C)CNC(=O)c1cocn1 1f1c440e578e9b20339aeff2c3eb654c [0,1,0,0,0,0|3,0,0]=4 884 B12R1.54 CC(C)CNC(=O)c1cscn1 e6c72260473fdfb81c93b2e9262a0ac8 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.54 CC(C)CNC(=O)c1ncco1 0aff257a1efc8a19247afa628d51386b [0,1,0,0,0,0|2,0,0]=3 886 B12R1.54 CC(C)CNC(=O)c1nccs1 a80c387cb25e709a47e17f46ac9de9fb [0,1,0,0,0,0|2,1,0]=4 887 B12R1.54 CC(C)CNC(=O)c1nnco1 82468be25a6ccb3345a51ada1e9955ec [0,1,0,0,0,0|3,0,0]=4 888 B12R1.54 CC(C)CNC(C)c1ccco1 475db0a0836b2967c97da4609f8cef12 [0,1,0,0,0,0|2,0,1]=4 889 B12R1.54 CC(C)CN[C@H](C)c1ccco1 53f5d652be06d8c035fa516801011663 [0,1,0,0,0,0|2,0,1]=4 890 B12R1.54 CC(C)COC(C)c1ccco1 8ace6a60ef821ddf64e47ec5a5561609 [0,1,0,0,0,0|2,0,1]=4 891 B12R1.54 CC(C)CO[C@H](C)c1ccco1 930ff0b3ee66e2fa08a5706751038aa8 [0,1,0,0,0,0|2,0,1]=4 892 B12R1.54 CC(C)NCC(O)c1ccco1 49cb4ceb33e9067d3f8f92e972802f32 [0,1,0,0,0,0|1,0,2]=4 893 B12R1.54 CC(C)OCC(=O)c1ccco1 155a55d88c82b5f16ab2135ef10deadb [0,1,0,0,0,0|1,0,0]=2 894 B12R1.54 CC(C)OCC(=O)c1cccs1 22cb4ffc6a69bfbbdf24fe51b56bf0b4 [0,1,0,0,0,0|1,1,0]=3 895 B12R1.54 CC(C)OCC(=O)c1ccsc1 9557277e028d139e937b839d7edafa6f [0,1,0,0,0,0|3,0,0]=4 896 B12R1.54 CC(C)OCC(=O)c1cocn1 3ca62c03ba815fca292bd66f948547e4 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.54 CC(C)OCC(=O)c1ncco1 cd749e65345f298a720d3f4756ba10f6 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.54 CC(C)OCC(=O)c1nccs1 44bd0ab419a011521ff1fe20fdf88a8c [0,1,0,0,0,0|2,1,0]=4 899 B12R1.54 CC(C)OCC(=O)n1cccn1 643487a1bee11171f1a9ce21ebf48721 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.54 CC(NC[C@H](C)O)c1ccco1 e495f95fdd8e68c698ec7a0d8c2185e6 [0,1,0,0,0,0|2,0,1]=4 901 B12R1.54 CC(O)CCC(=O)N1CC=CC1 0eea6689f8d8f90015df94ec55e1d74b [0,1,0,0,0,0|2,0,1]=4 902 B12R1.54 CC(O)CCN(C)c1ncco1 4ba81487bfb938c8d16893bc546d8ccc [0,1,0,0,0,0|3,0,0]=4 903 B12R1.54 CC(O)CNC(=O)c1ccco1 b7e4e5216645de54f94e7fb629df1a34 [0,1,0,0,0,0|1,0,0]=2 904 B12R1.54 CC(O)CNC(=O)c1cccs1 cdfdcdf46f08693accb4106ce1e91018 [0,1,0,0,0,0|1,1,0]=3 905 B12R1.54 CC(O)CNC(=O)c1ccno1 1ff3a464d6890f841e8ef60b61d0e806 [0,1,0,0,0,0|2,0,0]=3 906 B12R1.54 CC(O)CNC(=O)c1ccns1 0d6e1f5714814abd4c2ca3ca525976a2 [0,1,0,0,0,0|2,1,0]=4 907 B12R1.54 CC(O)CNC(=O)c1ccoc1 d3412e09eb41c08a73e1c289d29b2b07 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.54 CC(O)CNC(=O)c1ccon1 4094beeebdb5da92f3633cac229e4550 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.54 CC(O)CNC(=O)c1ccsc1 a2322ca7b3dd5b9eed547d21bf75a5aa [0,1,0,0,0,0|3,0,0]=4 910 B12R1.54 CC(O)CNC(=O)c1ccsn1 540d1ba13ce30bc27a45de0a909d5f7b [0,1,0,0,0,0|3,0,0]=4 911 B12R1.54 CC(O)CNC(=O)c1cnco1 c9128278f2ce67d827571e47ac6bb9c5 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.54 CC(O)CNC(=O)c1cncs1 066a75357057d698895fbf78ae420248 [0,1,0,0,0,0|2,1,0]=4 913 B12R1.54 CC(O)CNC(=O)c1cocn1 e9fc9b8a8cf5dc396b93c69bec60b55f [0,1,0,0,0,0|3,0,0]=4 914 B12R1.54 CC(O)CNC(=O)c1cscn1 245dde743acf1380fdcb05e2b9f306e1 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.54 CC(O)CNC(=O)c1ncco1 5f49082dda60b5d70fa62025ce3aedca [0,1,0,0,0,0|2,0,0]=3 916 B12R1.54 CC(O)CNC(=O)c1nccs1 bcb20d99815657ca04fa92f34b5b95ec [0,1,0,0,0,0|2,1,0]=4 917 B12R1.54 CC(O)CNC(=O)c1nnco1 0d47bd1be1fba35e5bded2b6cbb5fb72 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.54 CC(O)CNC(C)c1ccco1 d8b1a4441c91165d083a1525e17c5312 [0,1,0,0,0,0|2,0,1]=4 919 B12R1.54 CC(O)CN[C@H](C)c1ccco1 02dba8e714dc1925212bc4631aa7ec3f [0,1,0,0,0,0|2,0,1]=4 920 B12R1.54 CC(S)CCC(=O)N1CC=CC1 a149f4e2c4120abb7c5201f74b795ac7 [0,1,0,0,0,0|2,0,1]=4 921 B12R1.54 C[C@@H](O)CNC(=O)c1ccco1 5926c2efa2547655c572071cb8d069c8 [0,1,0,0,0,0|1,0,0]=2 922 B12R1.54 C[C@@H](O)CNC(=O)c1cccs1 b86c98bf9140f52b4849047d1da5b7d6 [0,1,0,0,0,0|1,1,0]=3 923 B12R1.54 C[C@@H](O)CNC(=O)c1ccno1 ac7fae23aaecb18106daf48443aa9e09 [0,1,0,0,0,0|2,0,0]=3 924 B12R1.54 C[C@@H](O)CNC(=O)c1ccns1 882e90314875826c0563cf2584ccb9d4 [0,1,0,0,0,0|2,1,0]=4 925 B12R1.54 C[C@@H](O)CNC(=O)c1ccoc1 a19573d18df1e8eb3cd2e856af18689d [0,1,0,0,0,0|3,0,0]=4 926 B12R1.54 C[C@@H](O)CNC(=O)c1ccon1 4585d640d638caaff91a2a0ca89d6ad2 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.54 C[C@@H](O)CNC(=O)c1ccsc1 70a613dbf0a5c5b45f2570c6d5d39100 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.54 C[C@@H](O)CNC(=O)c1ccsn1 c285f4f2bef97a816af7326d71ecdec1 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.54 C[C@@H](O)CNC(=O)c1cnco1 4d4ad91213b0d737aa0350d899295470 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.54 C[C@@H](O)CNC(=O)c1cncs1 725cc43ed2c1fdf2ffcb258047aed848 [0,1,0,0,0,0|2,1,0]=4 931 B12R1.54 C[C@@H](O)CNC(=O)c1cocn1 b68bf6ba3f9a97b308be6c8b890b5355 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.54 C[C@@H](O)CNC(=O)c1cscn1 4d436afb19682a53df00cba03f5c6706 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.54 C[C@@H](O)CNC(=O)c1ncco1 e684fe7bbab3a665bbc0a7c937155755 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.54 C[C@@H](O)CNC(=O)c1nccs1 a44d7bc7113f46b56bae689db8d02733 [0,1,0,0,0,0|2,1,0]=4 935 B12R1.54 C[C@@H](O)CNC(=O)c1nnco1 1998cad44a5da6b91a264d93b7f1ae16 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.54 C[C@H](O)CNC(=O)c1ccco1 f272a77f774565904d7bf39600f7f013 [0,1,0,0,0,0|1,0,0]=2 937 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 0eb61a8a58e9a53a93ac302bcf8b3be4 [0,1,0,0,0,0|1,1,0]=3 938 B12R1.54 C[C@H](O)CNC(=O)c1ccno1 226efbfcbd85164783e44f160e48ae31 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.54 C[C@H](O)CNC(=O)c1ccns1 f53a803812205345c5f9fd136f542aa4 [0,1,0,0,0,0|2,1,0]=4 940 B12R1.54 C[C@H](O)CNC(=O)c1ccoc1 ebd4526aaa87cb8b96ae69db499ce6c5 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.54 C[C@H](O)CNC(=O)c1ccon1 79eb7e69c22fbc7ea204c5ce10e9b572 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.54 C[C@H](O)CNC(=O)c1ccsc1 f0a5a192e6c4ad34b713f32cd6119463 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.54 C[C@H](O)CNC(=O)c1ccsn1 3ff18551d0079a2dd030ee3f10bd6ec8 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.54 C[C@H](O)CNC(=O)c1cnco1 94ce443470bdc27639a25f4ab7069a9a [0,1,0,0,0,0|2,0,0]=3 945 B12R1.54 C[C@H](O)CNC(=O)c1cncs1 fc8dc9765d5bc33f1dbe45a07e96f19b [0,1,0,0,0,0|2,1,0]=4 946 B12R1.54 C[C@H](O)CNC(=O)c1cocn1 2d6048c1513c26e3b1097f709cdd5581 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.54 C[C@H](O)CNC(=O)c1cscn1 02f809fcf4518e7934a72f5e8c4aafef [0,1,0,0,0,0|3,0,0]=4 948 B12R1.54 C[C@H](O)CNC(=O)c1ncco1 d7137c963af89afc6fa7178229b90a6a [0,1,0,0,0,0|2,0,0]=3 949 B12R1.54 C[C@H](O)CNC(=O)c1nccs1 13b1e63c0358878cda953e1faffdf1d4 [0,1,0,0,0,0|2,1,0]=4 950 B12R1.54 C[C@H](O)CNC(=O)c1nnco1 24174ec631a7784f9ed1f93e2406179e [0,1,0,0,0,0|3,0,0]=4 951 B12R1.54 C[C@H](O)CN[C@H](C)c1ccco1 57cd549502fd98a30ab44b495d95f490 [0,1,0,0,0,0|2,0,1]=4 952 B12R1.54 C[C@H](S)CCC(=O)N1CC=CC1 fcc9ef7c6a44543b630ded0dd30a8572 [0,1,0,0,0,0|2,0,1]=4 953 B12R1.54 NC(=O)CNC(=O)c1ccco1 4ef9b84faefe7b2b9eb9cf8ed8b1626f [0,1,0,0,0,0|2,0,1]=4 954 B12R1.54 O=C(NCC(F)F)c1ccco1 1f3de6c272fac0080247cb24d2711ab6 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.54 O=C(NCC(F)F)c1cccs1 f9fc5c5198664fa6c59222d4a94eebc5 [0,1,0,0,0,0|2,1,0]=4 956 B12R1.54 O=C(NCC(F)F)c1ccno1 dc4ec3dceb6c53a9134e07859a081319 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.54 O=C(NCC(F)F)c1cnco1 0807c7ac2a622a5b47a54498a2b4b7a8 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.54 O=C(NCC(F)F)c1ncco1 502430610be8f2be48437777d440762a [0,1,0,0,0,0|3,0,0]=4 959 B12R1.55 C#CCN(C)C(=O)c1ccco1 969d4a21c1b703c9aaec389e47b7564e [0,1,0,0,0,0|1,0,2]=4 960 B12R1.55 C=CCN(C)C(=O)c1ccco1 63d15dc83aed787c56ab0fb078fbf5a3 [0,1,0,0,0,0|1,0,2]=4 961 B12R1.55 CCCC(C)N(C)c1ncco1 5a77875ca8c5cca77d3c04c8857b1f34 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.55 CCCC(O)C(=O)N1CC=CC1 ec129e9caaf6bdac7b0bb5dc669839c1 [0,1,0,0,0,0|2,0,1]=4 963 B12R1.55 CCCN(C)C(=O)c1ccco1 847a312a031439461727f2124c15e98a [0,1,0,0,0,0|1,0,0]=2 964 B12R1.55 CCCN(C)C(=O)c1cccs1 c6e89e9fb9305e19c43c0cd3153527cc [0,1,0,0,0,0|1,1,0]=3 965 B12R1.55 CCCN(C)C(=O)c1ccno1 1e60530b89fff46b0d0658383877b7b7 [0,1,0,0,0,0|2,0,0]=3 966 B12R1.55 CCCN(C)C(=O)c1ccns1 cb1cdc586ae93acbf22521065cf4a0a4 [0,1,0,0,0,0|2,1,0]=4 967 B12R1.55 CCCN(C)C(=O)c1ccoc1 5e4a3777dadc5886aafa06ab24b15a2b [0,1,0,0,0,0|3,0,0]=4 968 B12R1.55 CCCN(C)C(=O)c1ccon1 74d01fe2dc8a117fbeaa066c8e5b7021 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.55 CCCN(C)C(=O)c1ccsc1 b958acd62318802126c1247bf74a03c1 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.55 CCCN(C)C(=O)c1ccsn1 94b4038547ce3dc386b97cdb460bc36f [0,1,0,0,0,0|3,0,0]=4 971 B12R1.55 CCCN(C)C(=O)c1cnco1 07b681b32352e9e4468ebb81ee3100bf [0,1,0,0,0,0|2,0,0]=3 972 B12R1.55 CCCN(C)C(=O)c1cncs1 82f8dca84dd7f0f1f7d75ac2e61fcf30 [0,1,0,0,0,0|2,1,0]=4 973 B12R1.55 CCCN(C)C(=O)c1cocn1 6df2e96e25c577d94110797b97931b6b [0,1,0,0,0,0|3,0,0]=4 974 B12R1.55 CCCN(C)C(=O)c1cscn1 768545f48c49c73083e1d7ee1890312b [0,1,0,0,0,0|3,0,0]=4 975 B12R1.55 CCCN(C)C(=O)c1ncco1 a864751aa365a42e830eb04b8ddb849a [0,1,0,0,0,0|2,0,0]=3 976 B12R1.55 CCCN(C)C(=O)c1nccs1 e39d119685e23d44c8ae076ef9c76e03 [0,1,0,0,0,0|2,1,0]=4 977 B12R1.55 CCCN(C)C(=O)c1nnco1 df1c1055ed64a23fc193501a80b42baa [0,1,0,0,0,0|3,0,0]=4 978 B12R1.55 CCC[C@@H](O)C(=O)N1CC=CC1 3e11326357294828b533bb5f282cfc82 [0,1,0,0,0,0|2,0,1]=4 979 B12R1.55 CCC[C@H](O)C(=O)N1CC=CC1 4648b09e9abd62c49144b8dfb3dad13a [0,1,0,0,0,0|2,0,1]=4 980 B12R1.55 CN(CC#N)C(=O)c1ccco1 6f0f8a58fc9bfa828e221a8441482083 [0,1,0,0,0,0|2,0,1]=4 981 B12R1.55 CN(CCF)C(=O)c1ccco1 985034dc05b5b49ace3566b9d8acae8e [0,1,0,0,0,0|2,0,0]=3 982 B12R1.55 CN(CCF)C(=O)c1cccs1 21700b920facfbb2148beee44c263b90 [0,1,0,0,0,0|2,1,0]=4 983 B12R1.55 CN(CCF)C(=O)c1ccno1 de7ec631463f345d852ce35c74d9fed7 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.55 CN(CCF)C(=O)c1cnco1 dbaee7c4a8bd072222bf2091243fb038 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.55 CN(CCF)C(=O)c1ncco1 016fb6e77bfa541d7eaa98029cf0af9f [0,1,0,0,0,0|3,0,0]=4 986 B12R1.55 CN(CCO)C(=O)c1ccco1 d746f45239337b1688bb21ad50459371 [0,1,0,0,0,0|2,0,0]=3 987 B12R1.55 CN(CCO)C(=O)c1cccs1 2fc0d2c1b3e9caeb69180eb793307ec6 [0,1,0,0,0,0|2,1,0]=4 988 B12R1.55 CN(CCO)C(=O)c1ccno1 9b29684f68ba187327b8c81e0868684e [0,1,0,0,0,0|3,0,0]=4 989 B12R1.55 CN(CCO)C(=O)c1cnco1 a44fc4115bd11a587d617ce9d9f30c26 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.55 CN(CCO)C(=O)c1ncco1 a786b7288d30fddec829cdcc16b24bfb [0,1,0,0,0,0|3,0,0]=4 991 B12R1.460 C#CCNC(=O)c1occc1Br b6a16b1d42b194658a8e3f4f858da773 [0,1,0,0,0,0|1,0,2]=4 992 B12R1.460 C#CCNC(=O)c1occc1C 29cd3f7002993a01cc54e71f044b38e0 [0,1,0,0,0,0|1,0,2]=4 993 B12R1.460 CCCCN(C)c1sccc1C 32e4fb17b80cff8b83ea243f945ad869 [0,1,0,0,0,0|2,1,0]=4 994 B12R1.460 CCCNC(=O)c1cccn1C 9c954318e3e59242c4f42914606fcef2 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.460 CCCNC(=O)c1ccnn1C 70f83fa81c69995d1a8c3a53e3b7dd84 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.460 CCCNC(=O)c1ccoc1Br 769b20484f446d9bf4931af5d4d317bf [0,1,0,0,0,0|3,0,0]=4 997 B12R1.460 CCCNC(=O)c1ccoc1C cf1bb657ce49ff79bda17cf0d9116812 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.460 CCCNC(=O)c1ccoc1Cl 9fb0852e9750ecad82b08e77388531bb [0,1,0,0,0,0|3,0,0]=4 999 B12R1.460 CCCNC(=O)c1ccoc1I 600248d1b217784e57da349f5f73f6c8 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.460 CCCNC(=O)c1ccsc1Br 143e2a20ec36d19308e1f4587e826e90 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.460 CCCNC(=O)c1ccsc1C f258c978450c56246c8c5790a7f11998 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.460 CCCNC(=O)c1ccsc1Cl 2185e458ad22c7b03d0d6dfc0d4a5e23 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.460 CCCNC(=O)c1ccsc1F f83d09cc1e1f96b0f1f153ac14406486 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.460 CCCNC(=O)c1ccsc1I c4b76dcf652ad8e0cc4a05aa701f2205 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.460 CCCNC(=O)c1cncn1C b777df8ad11f7117cd8284699e652562 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.460 CCCNC(=O)c1cocc1Br f56ae14522e4b9d3baf85db887b00b01 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.460 CCCNC(=O)c1cocc1C 620fc9455c3cb0c910b84304749c0596 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.460 CCCNC(=O)c1cscc1Br e2d907e46b4dd70284a20a29e8d7bf74 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.460 CCCNC(=O)c1cscc1C 8fb3ccd03f899e812d2c9ae90039d3a7 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.460 CCCNC(=O)c1cscc1Cl 7198edee01f687ac0f34cf7a9e5560c4 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.460 CCCNC(=O)c1nccn1C 29eb2f1e6180b6d30eaefec84f499705 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.460 CCCNC(=O)c1ncoc1C 9e1a6a139f6235ecea14a7c97e65ec80 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.460 CCCNC(=O)c1ncsc1Br 65bfdaf131f396d378cfc98d03aaa90c [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.460 CCCNC(=O)c1ncsc1C c7a448efbdbbbde71c5b21d20414f125 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.460 CCCNC(=O)c1ncsc1Cl f83e0af201e195197bdcb1b341c37fdd [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.460 CCCNC(=O)c1nocc1Br b0a5fa6d99985e5b77ec3aa6740290e5 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.460 CCCNC(=O)c1nocc1C 5879d10ba44c32a2e1240b3973f3c3a4 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.460 CCCNC(=O)c1nscc1Br 455677d8f2d920b71d5b4a34650fcc2a [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.460 CCCNC(=O)c1occc1Br bce4e6556e709ba0b740c6d721003963 [0,1,0,0,0,0|1,0,0]=2 1020 B12R1.460 CCCNC(=O)c1occc1C 8655b4386e963c6732549e3866f7a024 [0,1,0,0,0,0|1,0,0]=2 1021 B12R1.460 CCCNC(=O)c1ocnc1Br 329fd685ab2eadf0d75bda9ca073913e [0,1,0,0,0,0|2,0,0]=3 1022 B12R1.460 CCCNC(=O)c1ocnc1C b43a2320ad805d3a23dc5242c23e8ca5 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.460 CCCNC(=O)c1oncc1C 3ad04527617d347a6fa613c24f559105 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.460 CCCNC(=O)c1sccc1Br cf657221d49f089b5c5eec690fa42cd6 [0,1,0,0,0,0|1,1,0]=3 1025 B12R1.460 CCCNC(=O)c1sccc1C e8e2df8e3586b1b4d5499ae614dfa049 [0,1,0,0,0,0|1,1,0]=3 1026 B12R1.460 CCCNC(=O)c1sccc1Cl ec4a3e8e3e492b4f59948bd6c51b59c4 [0,1,0,0,0,0|1,1,0]=3 1027 B12R1.460 CCCNC(=O)c1sccc1F 8c92c9451cf12ab00088f0b3200277a3 [0,1,0,0,0,0|1,1,0]=3 1028 B12R1.460 CCCNC(=O)c1sccc1I b5f2e26ce9a7f0b999904af04da30998 [0,1,0,0,0,0|1,1,0]=3 1029 B12R1.460 CCCNC(=O)c1sccc1O 572acb5c0f5432d0d34d0283e6a8b9c3 [0,1,0,0,0,0|1,1,0]=3 1030 B12R1.460 CCCNC(=O)c1sccc1S b4bae40aa44f9f0ae0c320b4735e14b5 [0,1,0,0,0,0|1,1,0]=3 1031 B12R1.460 CCCNC(=O)c1scnc1Br db602a0473c45a005dd22e5bd1ae73a6 [0,1,0,0,0,0|2,1,0]=4 1032 B12R1.460 CCCNC(=O)c1scnc1C 1e01ba1a812e3309008b7d2196bbdfb7 [0,1,0,0,0,0|2,1,0]=4 1033 B12R1.460 CCCNC(=O)c1scnc1Cl bdf22dd5f1451dd59707b57626ab0521 [0,1,0,0,0,0|2,1,0]=4 1034 B12R1.460 CCCNC(=O)c1sncc1Br d3e4e7032f6fafb828c7537839198992 [0,1,0,0,0,0|2,1,0]=4 1035 B12R1.460 CCCNC(=O)c1sncc1C 320a03cd4ab5654079ff60c8fa47b90b [0,1,0,0,0,0|2,1,0]=4 1036 B12R1.460 CCCNC(=O)c1sncc1Cl dbdf478a09b30ad08cbb980992b60925 [0,1,0,0,0,0|2,1,0]=4 1037 B12R1.460 Cc1ccoc1C(=O)NCC#N 61fb6b3deef54ec20365522c842dfb2a [0,1,0,0,0,0|2,0,1]=4 1038 B12R1.460 Cc1ccoc1C(=O)NCCBr af915ab36d3e8c70ca64646c94faeefb [0,1,0,0,0,0|2,0,0]=3 1039 B12R1.460 Cc1ccoc1C(=O)NCCF 31cc514554554152b78097d0c79c172f [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.460 Cc1ccoc1C(=O)NCCI 74ccba22661c94fc4541f902c8d76422 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.460 Cc1ccoc1C(=O)NCCO 73a54702c90b6ad5372546d59ff58719 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.460 Cc1ccoc1C(=O)NCCS d032e6e3df514ba0c3174ad887cd1491 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.460 Cc1ccsc1C(=O)NCCF 8abc05d48f481929d00c795e8f43ab10 [0,1,0,0,0,0|2,1,0]=4 1044 B12R1.460 Cc1ccsc1C(=O)NCCI d81bec0cc81aeb4872768428209bb662 [0,1,0,0,0,0|2,1,0]=4 1045 B12R1.460 Cc1ccsc1C(=O)NCCO e7ff1af11f989ce50bb6d0ae013ae818 [0,1,0,0,0,0|2,1,0]=4 1046 B12R1.460 Cc1ccsc1C(=O)NCCS e5ce03c1fadc7e2c5c41d440465d0e54 [0,1,0,0,0,0|2,1,0]=4 1047 B12R1.460 Cc1cnoc1C(=O)NCCBr 412434e808cadbc6cb81f97dc71738d4 [0,1,0,0,0,0|3,0,0]=4 1048 B12R1.460 Cc1cnoc1C(=O)NCCF ef5fd15f34fe2fd0fa975f5d7cf7ba77 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.460 Cc1cnoc1C(=O)NCCI 752702db4a440a0087fd709152e6a89a [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.460 Cc1cnoc1C(=O)NCCO 5b05513b9fbdb75b1a37d2d9fa09e5fa [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.460 Cc1cnoc1C(=O)NCCS 97f1389044a6977df524525df59f673e [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.460 Cc1ncoc1C(=O)NCCBr e394bd65fbf1a55618691af0092779e5 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.460 Cc1ncoc1C(=O)NCCF 63cbc9a8d8e8abf1e41cbda52ff23c0f [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.460 Cc1ncoc1C(=O)NCCI 0a760e0da23ef396d6a5cc1dbdcbda54 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.460 Cc1ncoc1C(=O)NCCO 81698fa07aa47c16581b36ca1009bd46 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.460 Cc1ncoc1C(=O)NCCS 5506b45a38df21ef50d762df4ef01219 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.460 Cn1cccc1C(=O)NCCBr 69ee908e1a3114dfcc4cbdb5f94664fe [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.460 Cn1cccc1C(=O)NCCF 090f92506cc228086085cd3adac38ddc [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.460 Cn1cccc1C(=O)NCCI ec24455d3c77ae38159aa770b9fabedf [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.460 Cn1cccc1C(=O)NCCO d36cd40516325983f40001cbcb5c6961 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.460 Cn1cccc1C(=O)NCCS 647e687979df095037a752be0998a0f7 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.460 N#CCNC(=O)c1occc1Br 0178b2450ec09bdbd15cc35bebf2ac52 [0,1,0,0,0,0|2,0,1]=4 1063 B12R1.460 O=C(NCCBr)c1occc1Br 5b370fe6d6ed01a1d4788979d884caa9 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.460 O=C(NCCBr)c1ocnc1Br d7af7d8c1909a33f3728cb05cfe15420 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.460 O=C(NCCBr)c1sccc1Br f71c6ac5a4957798d1ffc9caaeab6580 [0,1,0,0,0,0|2,1,0]=4 1066 B12R1.460 O=C(NCCBr)c1sccc1F 19466df546fac7ab7615f8c715b6558a [0,1,0,0,0,0|2,1,0]=4 1067 B12R1.460 O=C(NCCBr)c1sccc1I a16c7a15a1413b39f0b5ad54f67f4968 [0,1,0,0,0,0|2,1,0]=4 1068 B12R1.460 O=C(NCCBr)c1sccc1O a74232d1a14a716af736542220ef7bae [0,1,0,0,0,0|2,1,0]=4 1069 B12R1.460 O=C(NCCBr)c1sccc1S 04c000e869acf641982b240846ad6c6f [0,1,0,0,0,0|2,1,0]=4 1070 B12R1.460 O=C(NCCF)c1occc1Br a3493f86cc3a6bb82ffba2315e4ea5a1 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.460 O=C(NCCF)c1ocnc1Br 346477970712f7638c5615a87618623b [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.460 O=C(NCCF)c1sccc1Br 8fac5190ed09f95f0767ca03508f97c2 [0,1,0,0,0,0|2,1,0]=4 1073 B12R1.460 O=C(NCCF)c1sccc1Cl 82965c80a19b28427a250dac9bbc36e9 [0,1,0,0,0,0|2,1,0]=4 1074 B12R1.460 O=C(NCCF)c1sccc1F 1ee82da6adc78c75330cafd4ba21b0d1 [0,1,0,0,0,0|2,1,0]=4 1075 B12R1.460 O=C(NCCF)c1sccc1I 3c960cd0d085fee076c24a3e3a590ca0 [0,1,0,0,0,0|2,1,0]=4 1076 B12R1.460 O=C(NCCF)c1sccc1O 8e507dedd92313d4c13accf39ca6fafb [0,1,0,0,0,0|2,1,0]=4 1077 B12R1.460 O=C(NCCF)c1sccc1S 2672e15d5c3b010d24021048aef9c315 [0,1,0,0,0,0|2,1,0]=4 1078 B12R1.460 O=C(NCCI)c1occc1Br 61ad25444ff774ece8d1aac1b77d3070 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.460 O=C(NCCI)c1ocnc1Br e3dfcf6363307bff4eda1d7fbda3fbb3 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.460 O=C(NCCI)c1sccc1Br 3dbefd083aa6da8f46f421715c5d964f [0,1,0,0,0,0|2,1,0]=4 1081 B12R1.460 O=C(NCCI)c1sccc1Cl 9a0ae5f692c160b9cc776a6fe75f4d5c [0,1,0,0,0,0|2,1,0]=4 1082 B12R1.460 O=C(NCCI)c1sccc1F 952ea8f1710e9ed6a4a096eb5d99a124 [0,1,0,0,0,0|2,1,0]=4 1083 B12R1.460 O=C(NCCI)c1sccc1I adec028381b38560b073895b3b1155bd [0,1,0,0,0,0|2,1,0]=4 1084 B12R1.460 O=C(NCCI)c1sccc1O a71848ba700392f8efaa58be6beef3ed [0,1,0,0,0,0|2,1,0]=4 1085 B12R1.460 O=C(NCCI)c1sccc1S 580d7a77d9bd2cd013237c3c2ffe6471 [0,1,0,0,0,0|2,1,0]=4 1086 B12R1.460 O=C(NCCO)c1occc1Br fa2cac3a1929608cd1ec8394e7e3e0a1 [0,1,0,0,0,0|2,0,0]=3 1087 B12R1.460 O=C(NCCO)c1ocnc1Br ad33d3c9c390fa93d010191516613e08 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.460 O=C(NCCO)c1sccc1Br e58a49c6919d3b720e1a1e834c1dc932 [0,1,0,0,0,0|2,1,0]=4 1089 B12R1.460 O=C(NCCO)c1sccc1Cl 8ecb79ea87502c34a79223a58e2f050e [0,1,0,0,0,0|2,1,0]=4 1090 B12R1.460 O=C(NCCO)c1sccc1F fe820edb736be700c88f955d2ad22ab1 [0,1,0,0,0,0|2,1,0]=4 1091 B12R1.460 O=C(NCCO)c1sccc1I 5a7d08b32f130d5625b9f83fc73b0452 [0,1,0,0,0,0|2,1,0]=4 1092 B12R1.460 O=C(NCCO)c1sccc1O 3c3282e92918a212b0ec5f2afba10e3c [0,1,0,0,0,0|2,1,0]=4 1093 B12R1.460 O=C(NCCO)c1sccc1S 51fbf569d42cedbca8704a2f82a0e727 [0,1,0,0,0,0|2,1,0]=4 1094 B12R1.460 O=C(NCCS)c1occc1Br cf5e7b681c88770bf94702eb20e7fba0 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.460 O=C(NCCS)c1ocnc1Br 4a6b31f8a61383a2ff3cfa8614a1c966 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.460 O=C(NCCS)c1sccc1Br 2492a708365f37efd6d76b3cc7adeade [0,1,0,0,0,0|2,1,0]=4 1097 B12R1.460 O=C(NCCS)c1sccc1Cl cb72b3e4d58a694123a7ee083983dfe7 [0,1,0,0,0,0|2,1,0]=4 1098 B12R1.460 O=C(NCCS)c1sccc1F 7da92f527b7835deb1301e5e17cc2e3b [0,1,0,0,0,0|2,1,0]=4 1099 B12R1.460 O=C(NCCS)c1sccc1I 045e4c2c0f598a7cfe5d3df77558f4b1 [0,1,0,0,0,0|2,1,0]=4 1100 B12R1.460 O=C(NCCS)c1sccc1O 5e423b8c5ad4cdedd8dafdfb0196ae2f [0,1,0,0,0,0|2,1,0]=4 1101 B12R1.460 O=C(NCCS)c1sccc1S 1eab3530460ac068267a312140076a7d [0,1,0,0,0,0|2,1,0]=4 1102 B10R0.19 C=CCN(C)C(=O)CCCC 33708410a4312ad2f8a39320e6c8fce3 [0,0,1,0,0,0|2,0,1]=4 1103 B10R0.91 C/C=C/C=C/C(=O)NCCBr 6bcab68acb8c4edf7b093b5044f15698 [0,0,1,0,0,0|3,0,0]=4 1104 B10R0.91 C/C=C/C=C/C(=O)NCCC ad97c5263faed79ca3de2c9d7c98b0d9 [0,0,1,0,0,0|2,0,0]=3 1105 B10R0.91 C/C=C/C=C/C(=O)NCCF 672197f2e6062847e4ee222200556e58 [0,0,1,0,0,0|3,0,0]=4 1106 B10R0.91 C/C=C/C=C/C(=O)NCCI 7e0a02b5008a2de178d20ac4b9213e3e [0,0,1,0,0,0|3,0,0]=4 1107 B10R0.91 C/C=C/C=C/C(=O)NCCO 464657f9c4290fc237630cea8fd1a8bb [0,0,1,0,0,0|3,0,0]=4 1108 B10R0.91 C/C=C/C=C/C(=O)NCCS 7279df4d6ac23fd18f267661c0b29eea [0,0,1,0,0,0|3,0,0]=4 1109 B10R0.91 C=CCCNC(=O)CCCC 69c4edbb5c60d786a453503b63dbd91a [0,0,1,0,0,0|2,0,1]=4 1110 B10R0.91 C=CCOCC(=O)NCCC 669229a3d827ee8564ec608831f19999 [0,0,1,0,0,0|1,0,2]=4 1111 B10R0.91 CC=CC=CC(=O)NCCBr 42df71bfe0eb4ed7e5bc3ca7375ae38d [0,0,1,0,0,0|3,0,0]=4 1112 B10R0.91 CC=CC=CC(=O)NCCC 61b6faa146a00049a7dd6f7decc2bf97 [0,0,1,0,0,0|2,0,0]=3 1113 B10R0.91 CC=CC=CC(=O)NCCF b11e65f2c7e3eedf5c00ebc9bf61a452 [0,0,1,0,0,0|3,0,0]=4 1114 B10R0.91 CC=CC=CC(=O)NCCI 335e0338bfc870dee0fadd39dd5677c0 [0,0,1,0,0,0|3,0,0]=4 1115 B10R0.91 CC=CC=CC(=O)NCCO 9281d1ed962b74e12d40a1a0403bdf11 [0,0,1,0,0,0|3,0,0]=4 1116 B10R0.91 CC=CC=CC(=O)NCCS e31a0bea2a84819d4e310b0232568dd7 [0,0,1,0,0,0|3,0,0]=4 1117 B10R0.91 CC=CCNC(=O)CCCC 4d197d152214c72ad748c812327bf472 [0,0,1,0,0,0|2,0,1]=4 1118 B12R2.2074 CN(CC1CC1)c2ncco2 a09b0ac5453b0b12cf1b2890e015a621 [0,0,0,1,0,0|3,0,0]=4 1119 B12R2.2074 O=C(CC1CC1)N2CC=CC2 4b1aafde61fac515c3fad16169ed997b [0,0,0,1,0,0|2,0,1]=4 1120 B12R2.2074 O=C(NC1CC1)c2ccco2 b9a16304db843f7b4241c371a07368e1 [0,0,0,1,0,0|1,0,0]=2 1121 B12R2.2074 O=C(NC1CC1)c2cccs2 851b60f368e8aa42eee5732ae0ba81e4 [0,0,0,1,0,0|1,1,0]=3 1122 B12R2.2074 O=C(NC1CC1)c2ccno2 ee3dfd655008ad0e9f9d3524244399ed [0,0,0,1,0,0|2,0,0]=3 1123 B12R2.2074 O=C(NC1CC1)c2ccns2 3af48eec0bf4f1e8f747511901dce127 [0,0,0,1,0,0|2,1,0]=4 1124 B12R2.2074 O=C(NC1CC1)c2ccoc2 8e330470b8646d2d091a694e89efb1bd [0,0,0,1,0,0|3,0,0]=4 1125 B12R2.2074 O=C(NC1CC1)c2ccon2 e8e40b71783352f56679411bf186fa5f [0,0,0,1,0,0|3,0,0]=4 1126 B12R2.2074 O=C(NC1CC1)c2ccsc2 dde774f8cdbd28b7bdcccbfc83a0684b [0,0,0,1,0,0|3,0,0]=4 1127 B12R2.2074 O=C(NC1CC1)c2ccsn2 12e2ce1ec6fe7608f2b4845b6b836f07 [0,0,0,1,0,0|3,0,0]=4 1128 B12R2.2074 O=C(NC1CC1)c2cnco2 5ee061a27638d524b315e958a5eba0fa [0,0,0,1,0,0|2,0,0]=3 1129 B12R2.2074 O=C(NC1CC1)c2cncs2 dcc748697599b6791fbe985e99091270 [0,0,0,1,0,0|2,1,0]=4 1130 B12R2.2074 O=C(NC1CC1)c2cocn2 591f8ec5a98c7ffb82cc06f2ce3f9e2e [0,0,0,1,0,0|3,0,0]=4 1131 B12R2.2074 O=C(NC1CC1)c2cscn2 d027dd40cdbdccbf6eb79359b6821e9e [0,0,0,1,0,0|3,0,0]=4 1132 B12R2.2074 O=C(NC1CC1)c2ncco2 c0d5597eea0e8a27d74e097f9152f58c [0,0,0,1,0,0|2,0,0]=3 1133 B12R2.2074 O=C(NC1CC1)c2nccs2 93d48a32845f7a3b9a9b38e969c136e6 [0,0,0,1,0,0|2,1,0]=4 1134 B12R2.3797 CN(c1ncco1)C2CCC2 817ed5241d340d91a11da5146ada8576 [0,0,0,1,0,0|3,0,0]=4 1135 B12R2.3797 O=C(c1ccco1)N2CCC2 64a775b4b8f0f6aa65c2e79281dc2c3e [0,0,0,1,0,0|1,0,0]=2 1136 B12R2.3797 O=C(c1cccs1)N2CCC2 13568d4355b6418b3bf53401259db150 [0,0,0,1,0,0|1,1,0]=3 1137 B12R2.3797 O=C(c1ccno1)N2CCC2 0c9e7678fe668d331daf43c334c89b96 [0,0,0,1,0,0|2,0,0]=3 1138 B12R2.3797 O=C(c1ccns1)N2CCC2 482246755ed74e332b3ff2314fc58b88 [0,0,0,1,0,0|2,1,0]=4 1139 B12R2.3797 O=C(c1ccoc1)N2CCC2 64366478d4ed489b61ceafb90fe25000 [0,0,0,1,0,0|3,0,0]=4 1140 B12R2.3797 O=C(c1ccon1)N2CCC2 fbc46416d8b742113d03036bd68b4171 [0,0,0,1,0,0|3,0,0]=4 1141 B12R2.3797 O=C(c1ccsc1)N2CCC2 54e86b7c2191a1ad36930b55d6e768d6 [0,0,0,1,0,0|3,0,0]=4 1142 B12R2.3797 O=C(c1ccsn1)N2CCC2 5623409975a13354ead9a5ffcfcef47b [0,0,0,1,0,0|3,0,0]=4 1143 B12R2.3797 O=C(c1cnco1)N2CCC2 a5cb223ee23620f333081ef24c41dc32 [0,0,0,1,0,0|2,0,0]=3 1144 B12R2.3797 O=C(c1cncs1)N2CCC2 22090e6ef84d916dffde5c9c0e8a1aea [0,0,0,1,0,0|2,1,0]=4 1145 B12R2.3797 O=C(c1cocn1)N2CCC2 2b2b4e157abd04827356922ce816459d [0,0,0,1,0,0|3,0,0]=4 1146 B12R2.3797 O=C(c1cscn1)N2CCC2 467048e986476fb1e3b929fe3eb5cf83 [0,0,0,1,0,0|3,0,0]=4 1147 B12R2.3797 O=C(c1ncco1)N2CCC2 bb55f1378a9cccb819eaee0c3d4e47c1 [0,0,0,1,0,0|2,0,0]=3 1148 B12R2.3797 O=C(c1nccs1)N2CCC2 b0bc8f78a327e5578f046daa0a0f0767 [0,0,0,1,0,0|2,1,0]=4 1149 B12R2.3797 O=C(c1nnco1)N2CCC2 697ab8f91eb223df7bcc07fe5fdb2b45 [0,0,0,1,0,0|3,0,0]=4 1150 B10R1.178 CCCNC(=O)C1=CCC1 c253539c34fd2323a41369ce905637b3 [0,0,0,0,1,0|1,0,2]=4 1151 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,0,0,0,0,1|3,0,0]=4 1152 B12R1.30 C=C(COCC)c1ccccn1 f40de5671b29d2ee57d19787ac098e3c [0,0,0,0,0,1|3,0,0]=4 1153 B12R1.30 CCCCC(=O)N1CC=CCC1 0661eeb363c70199bf33ad14fdd97871 [0,0,0,0,0,1|2,0,1]=4 1154 B12R1.30 CCCCN(C)c1ccccc1 5138c426816999d109cc4a6b536acc57 [0,0,0,0,0,1|3,0,0]=4 1155 B12R1.30 CCCCN(C)c1ccccn1 28cd8015bdaf9aae9f5fc252e8d2111d [0,0,0,0,0,1|3,0,0]=4 1156 B12R1.30 CCCCN(C)c1cccnc1 088893a35ea97628d677bdb560c104b8 [0,0,0,0,0,1|3,0,0]=4 1157 B12R1.30 CCCCN(C)c1cccnn1 89c1cc84d694607906e57e7e5d8c3a46 [0,0,0,0,0,1|3,0,0]=4 1158 B12R1.30 CCCCN(C)c1ccncc1 75414bf2a6ccb411945f0546844c595b [0,0,0,0,0,1|3,0,0]=4 1159 B12R1.30 CCCCN(C)c1ccncn1 21d8dcf004ed0bbab20f8d430eb68dd3 [0,0,0,0,0,1|3,0,0]=4 1160 B12R1.30 CCCCN(C)c1cnccn1 98c99516c32f82fb99bc5821f007edcf [0,0,0,0,0,1|3,0,0]=4 1161 B12R1.30 CCCCN(C)c1ncccn1 b87cf80f57d561700ef2f63dfae71dda [0,0,0,0,0,1|3,0,0]=4 1162 B12R1.30 CCCNC(=O)C1=CCCCO1 700bc60cc4d8038f79e5492d9bba02a1 [0,0,0,0,0,1|1,0,2]=4 1163 B12R1.30 CCCNC(=O)C1=CCCOC1 83118d7daee7b7f15be86d15e3ed7673 [0,0,0,0,0,1|1,0,2]=4 1164 B12R1.30 CCCNC(=O)C1=COCCO1 d005f8507667ff275efdd5261e394756 [0,0,0,0,0,1|1,0,2]=4 1165 B12R1.30 CCCNC(=O)C1CC=CCO1 7c84774ce20577ba203e6a8fe63bcd63 [0,0,0,0,0,1|1,0,2]=4 1166 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,0,0,0,0,1|2,0,0]=3 1167 B12R1.30 CCCNC(=O)c1ccccn1 aec690230b3cc4437d966e9bbbea0961 [0,0,0,0,0,1|2,0,0]=3 1168 B12R1.30 CCCNC(=O)c1cccnc1 3307a345d1b42f2c6d215fbac04a28f4 [0,0,0,0,0,1|2,0,0]=3 1169 B12R1.30 CCCNC(=O)c1cccnn1 d79db48c2c6d122ffd7c966384637b17 [0,0,0,0,0,1|2,0,0]=3 1170 B12R1.30 CCCNC(=O)c1ccncc1 b693f502598d6ba38fb153a0cebb0267 [0,0,0,0,0,1|2,0,0]=3 1171 B12R1.30 CCCNC(=O)c1ccncn1 5af7bda680935b060506356f810ba6a3 [0,0,0,0,0,1|2,0,0]=3 1172 B12R1.30 CCCNC(=O)c1ccnnc1 ae6705bfa45000d52e03ba70c4a47920 [0,0,0,0,0,1|3,0,0]=4 1173 B12R1.30 CCCNC(=O)c1cnccn1 4f0c6ad8dfe097ecbbeb03521862c352 [0,0,0,0,0,1|2,0,0]=3 1174 B12R1.30 CCCNC(=O)c1cncnc1 76fc5357da0c2a4f4c5ccffda41f833d [0,0,0,0,0,1|3,0,0]=4 1175 B12R1.30 CCCNC(=O)c1ncccn1 021169bd43c989c25245cf4b32ed4963 [0,0,0,0,0,1|2,0,0]=3 1176 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,0,0,0,0,1|2,0,0]=3 1177 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,0,0,0,0,1|2,0,0]=3 1178 B12R1.30 CCOCC(=O)c1ccccn1 dca3a90de36d6da1383fefa302a94393 [0,0,0,0,0,1|2,0,0]=3 1179 B12R1.30 CCOCC(=O)c1cccnc1 aef6d38b572782e69bfe5e03089f6e74 [0,0,0,0,0,1|2,0,0]=3 1180 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,0,0,0,0,1|3,0,0]=4 1181 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,0,0,0,0,1|3,0,0]=4 1182 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,0,0,0,0,1|3,0,0]=4 1183 B12R1.30 O=C(COCF)c1ccccn1 d721e2a9100a69c5669bc1ea4a691a11 [0,0,0,0,0,1|3,0,0]=4 1184 B12R1.30 O=C(COCF)c1cccnc1 9a8e93ae6bef36d6135782ae10319c45 [0,0,0,0,0,1|3,0,0]=4 1185 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,0,0,0,0,1|3,0,0]=4 1186 B12R1.30 O=C(NCCBr)c1cccnc1 aa6bec5a14f064ed8104ac011e985f93 [0,0,0,0,0,1|3,0,0]=4 1187 B12R1.30 O=C(NCCBr)c1ccncc1 45fdcd7147f155e6d1c4ae20d0fcf2c5 [0,0,0,0,0,1|3,0,0]=4 1188 B12R1.30 O=C(NCCBr)c1ccncn1 1b9abfd90ff3e25c016d308039fb490f [0,0,0,0,0,1|3,0,0]=4 1189 B12R1.30 O=C(NCCBr)c1cnccn1 dc1c0ed730ff73184b0071295546980e [0,0,0,0,0,1|3,0,0]=4 1190 B12R1.30 O=C(NCCBr)c1ncccn1 77582b9e2a8d4a28ad04965b58b9b7b0 [0,0,0,0,0,1|3,0,0]=4 1191 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,0,0,0,0,1|3,0,0]=4 1192 B12R1.30 O=C(NCCF)c1ccccn1 4a97f3ab618176ebd6ac2df3dad3b4cc [0,0,0,0,0,1|3,0,0]=4 1193 B12R1.30 O=C(NCCF)c1cccnc1 9e8dfc1ff3c253e05735643d47a5382b [0,0,0,0,0,1|3,0,0]=4 1194 B12R1.30 O=C(NCCF)c1cccnn1 7fb048d0bc77489d7ba47fdfd1f52d0c [0,0,0,0,0,1|3,0,0]=4 1195 B12R1.30 O=C(NCCF)c1ccncc1 fbe99a915ead568fcaa295143ee2ec0a [0,0,0,0,0,1|3,0,0]=4 1196 B12R1.30 O=C(NCCF)c1ccncn1 6dcec3a06380a8037b0019e5be1b7c36 [0,0,0,0,0,1|3,0,0]=4 1197 B12R1.30 O=C(NCCF)c1cnccn1 3f5ca43d495ce3de27a1429bcf06a016 [0,0,0,0,0,1|3,0,0]=4 1198 B12R1.30 O=C(NCCF)c1ncccn1 232b0eb2b3211aab0bc8d7e9762bbb54 [0,0,0,0,0,1|3,0,0]=4 1199 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,0,0,0,0,1|3,0,0]=4 1200 B12R1.30 O=C(NCCI)c1ccccn1 ac35a1f6684de8e8342f6b05eca2693e [0,0,0,0,0,1|3,0,0]=4 1201 B12R1.30 O=C(NCCI)c1cccnc1 08710fab037c1782967a4b685b3a30f8 [0,0,0,0,0,1|3,0,0]=4 1202 B12R1.30 O=C(NCCI)c1cccnn1 4105c854daf15cd5027ddd6f2d49e9fb [0,0,0,0,0,1|3,0,0]=4 1203 B12R1.30 O=C(NCCI)c1ccncc1 6bd59a58e07204c91bdb4e1795f132a9 [0,0,0,0,0,1|3,0,0]=4 1204 B12R1.30 O=C(NCCI)c1ccncn1 574af761f58400fee44b06f35ef3309c [0,0,0,0,0,1|3,0,0]=4 1205 B12R1.30 O=C(NCCI)c1cnccn1 a898438d00857aa21003ec5794c5e020 [0,0,0,0,0,1|3,0,0]=4 1206 B12R1.30 O=C(NCCI)c1ncccn1 938d40f63f2d881680e7e09e84d87ceb [0,0,0,0,0,1|3,0,0]=4 1207 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,0,0,0,0,1|3,0,0]=4 1208 B12R1.30 O=C(NCCO)c1ccccn1 a2021453263d08de31cb9c035df6984e [0,0,0,0,0,1|3,0,0]=4 1209 B12R1.30 O=C(NCCO)c1cccnc1 963df7532c713daef1e9a51aa93e2bdc [0,0,0,0,0,1|3,0,0]=4 1210 B12R1.30 O=C(NCCO)c1cccnn1 473ab53b8b65e7e49910df6118664e38 [0,0,0,0,0,1|3,0,0]=4 1211 B12R1.30 O=C(NCCO)c1ccncc1 b9544645504fe39897f7e585f5d653d0 [0,0,0,0,0,1|3,0,0]=4 1212 B12R1.30 O=C(NCCO)c1ccncn1 d28dccaf32e94ba6fbdc23052afcaca2 [0,0,0,0,0,1|3,0,0]=4 1213 B12R1.30 O=C(NCCO)c1cnccn1 a11b4b760d463a45cf9827c6d1603f32 [0,0,0,0,0,1|3,0,0]=4 1214 B12R1.30 O=C(NCCO)c1ncccn1 f361f4489583b245a895378e72d4b0a8 [0,0,0,0,0,1|3,0,0]=4 1215 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,0,0,0,0,1|3,0,0]=4 1216 B12R1.30 O=C(NCCS)c1ccccn1 8988f54408f8c875b5e29488d2a313be [0,0,0,0,0,1|3,0,0]=4 1217 B12R1.30 O=C(NCCS)c1cccnc1 ec7c915ff51c0bb22668b31efc7b81c3 [0,0,0,0,0,1|3,0,0]=4 1218 B12R1.30 O=C(NCCS)c1cccnn1 7dbf9f1d7340e3f1ffbfa7b147130608 [0,0,0,0,0,1|3,0,0]=4 1219 B12R1.30 O=C(NCCS)c1ccncc1 d3a8346725379b5dc5719ca16669667b [0,0,0,0,0,1|3,0,0]=4 1220 B12R1.30 O=C(NCCS)c1ccncn1 29b5b18821534c6ea1a43d4cb7c90966 [0,0,0,0,0,1|3,0,0]=4 1221 B12R1.30 O=C(NCCS)c1cnccn1 e7b3250631895a78a247501f23f34df7 [0,0,0,0,0,1|3,0,0]=4 1222 B12R1.30 O=C(NCCS)c1ncccn1 d69e0cf0a2d363c0661112a6662e4ab0 [0,0,0,0,0,1|3,0,0]=4 1223 B12R1.53 C#CCCC(=O)Nc1cccs1 3e9829031b2696e33c5960604d036439 [0,0,0,0,0,1|0,1,2]=4 1224 B12R1.53 C#CCCC(=O)Nc1ccno1 e8469b1e2d66f48cbfd387e4b4f8b701 [0,0,0,0,0,1|1,0,2]=4 1225 B12R1.53 C#CCCC(=O)Nc1ncco1 032eadbf97cf4aaa15de8680a9976a3e [0,0,0,0,0,1|1,0,2]=4 1226 B12R1.53 C#CCNC(=O)Cc1ccco1 eb7bc596b6b00769749add9381c76367 [0,0,0,0,0,1|1,0,2]=4 1227 B12R1.53 C/C=C/CC(=O)Nc1cccs1 1f5deb1650de3e4e515687615e3c8d56 [0,0,0,0,0,1|0,1,2]=4 1228 B12R1.53 C/C=C/CC(=O)Nc1ccno1 cb0dc9254d9b675dc21d0c5656ee63bb [0,0,0,0,0,1|1,0,2]=4 1229 B12R1.53 C/C=C/CC(=O)Nc1ncco1 b2ac3bd2a2111d210f30b3b6077aecce [0,0,0,0,0,1|1,0,2]=4 1230 B12R1.53 C=CCCC(=O)Nc1cccs1 0c57b65706ce52584cde59199c993161 [0,0,0,0,0,1|0,1,2]=4 1231 B12R1.53 C=CCCC(=O)Nc1ccno1 d8cf34311505443a72425f843d969a31 [0,0,0,0,0,1|1,0,2]=4 1232 B12R1.53 C=CCCC(=O)Nc1ncco1 e7dcdabb355850accf7bf0a9f13f2f0e [0,0,0,0,0,1|1,0,2]=4 1233 B12R1.53 CC#CCC(=O)Nc1cccs1 a1b12e29c75f898c429e4f0af1d2f8dc [0,0,0,0,0,1|0,1,2]=4 1234 B12R1.53 CC#CCC(=O)Nc1ccno1 da80fa98472bc6a0ba93823598c4c8eb [0,0,0,0,0,1|1,0,2]=4 1235 B12R1.53 CC#CCC(=O)Nc1ncco1 1f174d9519a9830af853a41c40e936dc [0,0,0,0,0,1|1,0,2]=4 1236 B12R1.53 CC/C=C/C(=O)Nc1cccs1 10a2b103e0fbb8eea2e684ef31f05831 [0,0,0,0,0,1|0,1,2]=4 1237 B12R1.53 CC/C=C/C(=O)Nc1ccno1 0e1b3a0a73993f2ac2d49fbe3d15fc86 [0,0,0,0,0,1|1,0,2]=4 1238 B12R1.53 CC/C=C/C(=O)Nc1ncco1 1c2c329b31d935ca6aaeafab81185c61 [0,0,0,0,0,1|1,0,2]=4 1239 B12R1.53 CC/C=C\C(=O)Nc1cccs1 8d9b667f55e7ec59558c68a17e4cef6d [0,0,0,0,0,1|0,1,2]=4 1240 B12R1.53 CC/C=C\C(=O)Nc1ccno1 336b4a4aecc0d923daeef9bb64fe25ca [0,0,0,0,0,1|1,0,2]=4 1241 B12R1.53 CC/C=C\C(=O)Nc1ncco1 78c3b295cef00e5776cd9c1b590812ed [0,0,0,0,0,1|1,0,2]=4 1242 B12R1.53 CCC#CC(=O)Nc1cccs1 3a633a393baf8b4b28b5338266d1b521 [0,0,0,0,0,1|0,1,2]=4 1243 B12R1.53 CCC#CC(=O)Nc1ccno1 60d9a541a0d2a684e6f992df22d1c6d7 [0,0,0,0,0,1|1,0,2]=4 1244 B12R1.53 CCC#CC(=O)Nc1ncco1 3bbdc58faa4748ef7e758869bee61716 [0,0,0,0,0,1|1,0,2]=4 1245 B12R1.53 CCC=CC(=O)Nc1cccs1 222fc32d836deb05eafdef707530b826 [0,0,0,0,0,1|0,1,2]=4 1246 B12R1.53 CCC=CC(=O)Nc1ccno1 27003d8c6e402edacfd62e9bacb8fcb0 [0,0,0,0,0,1|1,0,2]=4 1247 B12R1.53 CCC=CC(=O)Nc1ncco1 d2b13039a0f41ea4d0249bcee623d3bb [0,0,0,0,0,1|1,0,2]=4 1248 B12R1.53 CCCCC(=O)NC1CC=CC1 6c62bbe2c8f876e28946966fd7b4bd6b [0,0,0,0,0,1|1,0,2]=4 1249 B12R1.53 CCCCC(=O)Nc1cccs1 494217bb90f8b6effd43236b9fa0f6e9 [0,0,0,0,0,1|0,1,0]=2 1250 B12R1.53 CCCCC(=O)Nc1ccno1 981708560d3bbe0361f0bc03060871ae [0,0,0,0,0,1|1,0,0]=2 1251 B12R1.53 CCCCC(=O)Nc1ccns1 04e87a05e7b581d3c9d0181a4550d289 [0,0,0,0,0,1|1,1,0]=3 1252 B12R1.53 CCCCC(=O)Nc1ccon1 25ad1ea1845303bffbe40305a46d81fa [0,0,0,0,0,1|2,0,0]=3 1253 B12R1.53 CCCCC(=O)Nc1ccsc1 4163960e4bc03f58d62e3c37b6d6c140 [0,0,0,0,0,1|2,0,0]=3 1254 B12R1.53 CCCCC(=O)Nc1cncs1 05270bdb0198cca04f4b37f3c9b77e4a [0,0,0,0,0,1|1,1,0]=3 1255 B12R1.53 CCCCC(=O)Nc1cnns1 0d1464edf8cec2cc83a71ab2c8da9bdd [0,0,0,0,0,1|2,1,0]=4 1256 B12R1.53 CCCCC(=O)Nc1cnoc1 ab45caae87852377e90c3910fb1c46e2 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.53 CCCCC(=O)Nc1cnon1 532c1d095112ae148fe78aac9fc08735 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.53 CCCCC(=O)Nc1cnsc1 8d62c38c109754f6e828213e9f0cbd67 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.53 CCCCC(=O)Nc1cocn1 2a02a13970bbeebc9d82fd54ff25ce55 [0,0,0,0,0,1|2,0,0]=3 1260 B12R1.53 CCCCC(=O)Nc1cscn1 00244ffd60ab992e4f44d1b11ad5d84f [0,0,0,0,0,1|2,0,0]=3 1261 B12R1.53 CCCCC(=O)Nc1ncco1 00ead4e7e90e5a4d9cac29a357235b6d [0,0,0,0,0,1|1,0,0]=2 1262 B12R1.53 CCCCC(=O)Nc1nccs1 611ef451e071e78a062a2c8ba0e41edc [0,0,0,0,0,1|1,1,0]=3 1263 B12R1.53 CCCCC(=O)Nc1ncns1 2d89ced42f4e64a716cec33116d73edb [0,0,0,0,0,1|2,1,0]=4 1264 B12R1.53 CCCCC(=O)Nc1nnco1 ccc392610ecc282665c78835e412a236 [0,0,0,0,0,1|2,0,0]=3 1265 B12R1.53 CCCCC(=O)Nc1nncs1 105f115b34d188498fcaad141a9dee69 [0,0,0,0,0,1|2,1,0]=4 1266 B12R1.53 CCCCC(C)Nc1ccno1 34ba4eb5bde0fa50c9b542178c6397fb [0,0,0,0,0,1|2,0,1]=4 1267 B12R1.53 CCCCC(C)Nc1ncco1 2ea2e705501aa140075903dc5a6b771c [0,0,0,0,0,1|2,0,1]=4 1268 B12R1.53 CCCCC(C)Oc1ccco1 37f4ae59a8501011f3ce808962ff21c7 [0,0,0,0,0,1|1,0,1]=3 1269 B12R1.53 CCCCC(C)Oc1cccs1 0612b715f2a7a1826ba28f6fa6fe6bfc [0,0,0,0,0,1|1,1,1]=4 1270 B12R1.53 CCCCN(C)Cc1ccc[nH]1 c50f99082bcfe0dd48e82f644533cbda [0,0,0,0,0,1|3,0,0]=4 1271 B12R1.53 CCCCN(C)Cc1ccco1 915ae361a6c8a363519bd8bcef1f718a [0,0,0,0,0,1|2,0,0]=3 1272 B12R1.53 CCCCN(C)Cc1cccs1 96902d522eb7be84d5a3f6f44c4f41a3 [0,0,0,0,0,1|2,1,0]=4 1273 B12R1.53 CCCCN(C)Cc1ccno1 636cf0767f814b5c6bcb54debd8555b2 [0,0,0,0,0,1|3,0,0]=4 1274 B12R1.53 CCCCN(C)Cc1ncco1 38614d3e89cb039066a6d91eff0b3740 [0,0,0,0,0,1|3,0,0]=4 1275 B12R1.53 CCCNC(=O)Cc1ccco1 85b3c205bd3b07a4d069798d9d9bcf5b [0,0,0,0,0,1|1,0,0]=2 1276 B12R1.53 CCCNC(=O)Cc1cccs1 9fcc2973908ac11247f97d4ead011aec [0,0,0,0,0,1|1,1,0]=3 1277 B12R1.53 CCCNC(=O)Cc1ccno1 b29c96740a7bf5769fb72f12020a1ad3 [0,0,0,0,0,1|2,0,0]=3 1278 B12R1.53 CCCNC(=O)Cc1ccoc1 245a13c5a3da0f5b618ac076533e167d [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.53 CCCNC(=O)Cc1ccon1 e852bab9c8cef1198e520d52d9ada6ac [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.53 CCCNC(=O)Cc1ccsc1 d98032b8627d46db6e389889c0c31f7b [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.53 CCCNC(=O)Cc1cnco1 afeed0be767e7f7d7ab3738225b7893d [0,0,0,0,0,1|2,0,0]=3 1282 B12R1.53 CCCNC(=O)Cc1cncs1 9d0df1241291f302d6a6a76c8a6a07d7 [0,0,0,0,0,1|2,1,0]=4 1283 B12R1.53 CCCNC(=O)Cc1cscn1 a775a4122feff86870b3cb2d9bac405f [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.53 CCCNC(=O)Cc1nccs1 c5e5c438ab8c21c17bfe2a627e2c9393 [0,0,0,0,0,1|2,1,0]=4 1285 B12R1.53 CCCNC(=O)Cc1nnco1 9684b9d876510f80b96fcc06f7debf44 [0,0,0,0,0,1|3,0,0]=4 1286 B12R1.53 CCCNC(=O)Cn1cccc1 d0d54fd858935c71208a6817071a4df5 [0,0,0,0,0,1|3,0,0]=4 1287 B12R1.53 CCCNC(=O)Cn1cccn1 b4a295731b275084bfdca1dba2c003eb [0,0,0,0,0,1|3,0,0]=4 1288 B12R1.53 CCCNC(=O)Nc1cc[nH]n1 0896b805bd47acdd2a034b67f1d9f260 [0,0,0,0,0,1|3,0,0]=4 1289 B12R1.53 CCCNC(=O)Nc1ccno1 854dd0f13b85c1ef2f0192c164112e02 [0,0,0,0,0,1|2,0,0]=3 1290 B12R1.53 CCCNC(=O)Nc1ccns1 7e750fadcd991a34db026c2c65f15ff9 [0,0,0,0,0,1|2,1,0]=4 1291 B12R1.53 CCCNC(=O)Nc1ccsc1 cbde52de598b81dad9f021019c1662b2 [0,0,0,0,0,1|3,0,0]=4 1292 B12R1.53 CCCNC(=O)Nc1cocn1 edf215d08e1992637b6ab00365d6a439 [0,0,0,0,0,1|3,0,0]=4 1293 B12R1.53 CCCNC(=O)Nc1cscn1 619c2714638ad435c61de4650ad764a0 [0,0,0,0,0,1|3,0,0]=4 1294 B12R1.53 CCCNC(=O)Nc1ncco1 2a86f75729bcd3b4eb4058269aff50f1 [0,0,0,0,0,1|2,0,0]=3 1295 B12R1.53 CCCNC(=O)Nc1nccs1 6333b266f32a9d21c8b76dc3aacefd7b [0,0,0,0,0,1|2,1,0]=4 1296 B12R1.53 CCCNC(=S)Nc1cccs1 170dd58d6ef8027743ee9fadcaac7d14 [0,0,0,0,0,1|1,2,0]=4 1297 B12R1.53 CCCNC(=S)Nc1ccno1 9db4e509c6113da4f907d4bd6b6aef08 [0,0,0,0,0,1|2,1,0]=4 1298 B12R1.53 CCCNC(=S)Nc1ncco1 6f9179c309f74f15896cc0b26b81d78b [0,0,0,0,0,1|2,1,0]=4 1299 B12R1.53 CCCNC(C)Cc1ccco1 8f557baca30ddaed8ed297f9992e166c [0,0,0,0,0,1|2,0,1]=4 1300 B12R1.53 CCCOC(C)Cc1ccco1 b0bceb83e8bd3acd4daf5e7c5dea0ee0 [0,0,0,0,0,1|2,0,1]=4 1301 B12R1.53 CCOCC(=O)Nc1cccs1 07aa007292c76a667bc10215d842ee6a [0,0,0,0,0,1|1,1,0]=3 1302 B12R1.53 CCOCC(=O)Nc1ccno1 de9cd66b1570bc793ea647de601542fc [0,0,0,0,0,1|2,0,0]=3 1303 B12R1.53 CCOCC(=O)Nc1ccns1 549ce7ab7fafa3d89b37c2904bd000c2 [0,0,0,0,0,1|2,1,0]=4 1304 B12R1.53 CCOCC(=O)Nc1ccon1 14a0d7ecaca7db17ac9bfc83ff3bc690 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.53 CCOCC(=O)Nc1ccsc1 113ae6d465b5c22146c637ac127fd4b7 [0,0,0,0,0,1|3,0,0]=4 1306 B12R1.53 CCOCC(=O)Nc1cncs1 6ae5fc4287878a246027d5c6731ac923 [0,0,0,0,0,1|2,1,0]=4 1307 B12R1.53 CCOCC(=O)Nc1cocn1 30cfdeb06fbd9b6bdaa675e2c4266e35 [0,0,0,0,0,1|3,0,0]=4 1308 B12R1.53 CCOCC(=O)Nc1cscn1 26460243a5245844cc3e93adf234b540 [0,0,0,0,0,1|3,0,0]=4 1309 B12R1.53 CCOCC(=O)Nc1ncco1 854c640dc47ac7f1479a6c39e2a72cd0 [0,0,0,0,0,1|2,0,0]=3 1310 B12R1.53 CCOCC(=O)Nc1nccs1 8cc941214253a120365115979f2247bf [0,0,0,0,0,1|2,1,0]=4 1311 B12R1.53 CCOCN(C)Cc1ccco1 da259e60b96f352177d9333f99f75d1e [0,0,0,0,0,1|3,0,0]=4 1312 B12R1.53 CCSCC(=O)Nc1cccs1 3c5ddbd3875ab3502eae0dadc2a1f9f0 [0,0,0,0,0,1|1,1,0]=3 1313 B12R1.53 CCSCC(=O)Nc1ccno1 cbc2345cc1e18604737310e9701d3635 [0,0,0,0,0,1|2,0,0]=3 1314 B12R1.53 CCSCC(=O)Nc1ccns1 9c4634f54b4f871b26a55e2735a5b9f8 [0,0,0,0,0,1|2,1,0]=4 1315 B12R1.53 CCSCC(=O)Nc1ccsc1 a405bda8e7c865c91399641bd83d30c6 [0,0,0,0,0,1|3,0,0]=4 1316 B12R1.53 CCSCC(=O)Nc1cocn1 39d63ce3cfbb031d11207c1cc42354b9 [0,0,0,0,0,1|3,0,0]=4 1317 B12R1.53 CCSCC(=O)Nc1cscn1 3ac863ffa7fedbb019234405c9fe9558 [0,0,0,0,0,1|3,0,0]=4 1318 B12R1.53 CCSCC(=O)Nc1ncco1 f9a42777771accf9312cc18cc6b7c41e [0,0,0,0,0,1|2,0,0]=3 1319 B12R1.53 CCSCC(=O)Nc1nccs1 b1837e39135991f3d62834e87e31bb54 [0,0,0,0,0,1|2,1,0]=4 1320 B12R1.53 CN(CCCF)Cc1ccco1 504c2640158efba2a3155daf81292ac9 [0,0,0,0,0,1|3,0,0]=4 1321 B12R1.53 CN(CCCO)Cc1ccco1 a86a2a4d419c6775fece8b13f3500847 [0,0,0,0,0,1|3,0,0]=4 1322 B12R1.53 CN(CCCS)Cc1ccco1 9770dee696118a66b2946e8c2eb9e4ff [0,0,0,0,0,1|3,0,0]=4 1323 B12R1.53 COCCC(=O)Nc1cccs1 7eb41b4774d30c8d1c06e96a626133f1 [0,0,0,0,0,1|1,1,0]=3 1324 B12R1.53 COCCC(=O)Nc1ccno1 28701b016fd9ccfbb864860f965d5ee9 [0,0,0,0,0,1|2,0,0]=3 1325 B12R1.53 COCCC(=O)Nc1ccns1 12c73fc2fe2d5d0aca4f553d0a92d035 [0,0,0,0,0,1|2,1,0]=4 1326 B12R1.53 COCCC(=O)Nc1ccsc1 c1d147c1f77fa4b1b1b2ad3228adc448 [0,0,0,0,0,1|3,0,0]=4 1327 B12R1.53 COCCC(=O)Nc1cncs1 1e08cbb608731b052df9605b5fa091d6 [0,0,0,0,0,1|2,1,0]=4 1328 B12R1.53 COCCC(=O)Nc1cocn1 5689a87277177fc496149f5e6f192f90 [0,0,0,0,0,1|3,0,0]=4 1329 B12R1.53 COCCC(=O)Nc1cscn1 7e9156f8a897ad177f5b12378b1d8812 [0,0,0,0,0,1|3,0,0]=4 1330 B12R1.53 COCCC(=O)Nc1ncco1 9a03bbb90e13a7e948aecc3811eff6e8 [0,0,0,0,0,1|2,0,0]=3 1331 B12R1.53 COCCC(=O)Nc1nccs1 d03fccf46697d540ff7bae94bf03453c [0,0,0,0,0,1|2,1,0]=4 1332 B12R1.53 COCCN(C)Cc1ccco1 06ad638255d9ddc2edefd4f990434864 [0,0,0,0,0,1|3,0,0]=4 1333 B12R1.53 CSCCC(=O)Nc1cccs1 0c513cbbf40c0df40296a8e7177b7dc7 [0,0,0,0,0,1|1,1,0]=3 1334 B12R1.53 CSCCC(=O)Nc1ccno1 12ae50941324cf8d3ab1820fb971112c [0,0,0,0,0,1|2,0,0]=3 1335 B12R1.53 CSCCC(=O)Nc1ccns1 c53a060bd0401e9afbc650bb48a46f9f [0,0,0,0,0,1|2,1,0]=4 1336 B12R1.53 CSCCC(=O)Nc1cscn1 7760a80a05e9cfd1353c68a1eb09f3c9 [0,0,0,0,0,1|3,0,0]=4 1337 B12R1.53 CSCCC(=O)Nc1ncco1 aad0d2f59c946de96c1ef38374209a4a [0,0,0,0,0,1|2,0,0]=3 1338 B12R1.53 CSCCC(=O)Nc1nccs1 cd6439a4974e56cc449b40abc9451a3c [0,0,0,0,0,1|2,1,0]=4 1339 B12R1.53 CSCCN(C)Cc1ccco1 067f43766285e7f6bcfa17255e9e788a [0,0,0,0,0,1|3,0,0]=4 1340 B12R1.53 CSSCC(=O)Nc1cccs1 91364ae8cc77554455bb3e6f047c4447 [0,0,0,0,0,1|2,1,0]=4 1341 B12R1.53 CSSCC(=O)Nc1ccno1 bbe38f87487ae9b24fbd8b01dbf1554f [0,0,0,0,0,1|3,0,0]=4 1342 B12R1.53 CSSCC(=O)Nc1ncco1 6af822000b6ecce1bcdfa0522b730f1e [0,0,0,0,0,1|3,0,0]=4 1343 B12R1.53 N#CCCC(=O)Nc1cccs1 d5d8c4c07bdb82cae1f05cc1d67acf07 [0,0,0,0,0,1|1,1,1]=4 1344 B12R1.53 N#CCCC(=O)Nc1ccno1 9144a236ca03907885e72f46f25b8ca4 [0,0,0,0,0,1|2,0,1]=4 1345 B12R1.53 N#CCCC(=O)Nc1ncco1 63a99f5b02a201a34931e84fcf9496ba [0,0,0,0,0,1|2,0,1]=4 1346 B12R1.53 N#CCNC(=O)Cc1ccco1 442365b2371c0a254a7d0214821170bb [0,0,0,0,0,1|2,0,1]=4 1347 B12R1.53 NCCNC(=O)Nc1ccno1 1c61f072a561871e272680ef42fb4978 [0,0,0,0,0,1|3,0,0]=4 1348 B12R1.53 NCCNC(=O)Nc1ncco1 d76806ba5adbd3e86d01893193fcc780 [0,0,0,0,0,1|3,0,0]=4 1349 B12R1.53 O=C(CCCF)Nc1cccs1 fd6e68547c4672c4618d6439d5f6b2d5 [0,0,0,0,0,1|1,1,0]=3 1350 B12R1.53 O=C(CCCF)Nc1ccno1 6c8fbe1f3ae1de9108c0c2a4112b262d [0,0,0,0,0,1|2,0,0]=3 1351 B12R1.53 O=C(CCCF)Nc1ccns1 c95949f48875df5deb247275567c0229 [0,0,0,0,0,1|2,1,0]=4 1352 B12R1.53 O=C(CCCF)Nc1ccon1 74ff98fe9a991f0e6d3a5310a70ca7f4 [0,0,0,0,0,1|3,0,0]=4 1353 B12R1.53 O=C(CCCF)Nc1ccsc1 1b0779b10f9d1d9f66c6034e28b6fafd [0,0,0,0,0,1|3,0,0]=4 1354 B12R1.53 O=C(CCCF)Nc1cncs1 7faf877ea2b6721681ac68c80e6645ee [0,0,0,0,0,1|2,1,0]=4 1355 B12R1.53 O=C(CCCF)Nc1cocn1 4f2fd88387e0056b26219f8b3cbea943 [0,0,0,0,0,1|3,0,0]=4 1356 B12R1.53 O=C(CCCF)Nc1cscn1 46ed4a946025cefa1d56bbd770ce8727 [0,0,0,0,0,1|3,0,0]=4 1357 B12R1.53 O=C(CCCF)Nc1ncco1 87119caf497af92e00373022651731bc [0,0,0,0,0,1|2,0,0]=3 1358 B12R1.53 O=C(CCCF)Nc1nccs1 eada7cb9de1975f7e365a8a182cec20e [0,0,0,0,0,1|2,1,0]=4 1359 B12R1.53 O=C(CCCF)Nc1nnco1 b149b361fd1618294b21d19f2d3b390d [0,0,0,0,0,1|3,0,0]=4 1360 B12R1.53 O=C(CCCS)Nc1cccs1 0c2e9c4407d6deb67e2394f162ab245e [0,0,0,0,0,1|1,1,0]=3 1361 B12R1.53 O=C(CCCS)Nc1ccno1 195dea5900e49a91d2824e8db73de5f9 [0,0,0,0,0,1|2,0,0]=3 1362 B12R1.53 O=C(CCCS)Nc1ccns1 79fac64b360a32ad19a5bda53cdc1cd0 [0,0,0,0,0,1|2,1,0]=4 1363 B12R1.53 O=C(CCCS)Nc1ccon1 33f6f5bdb180357553d01b2ad732c4c7 [0,0,0,0,0,1|3,0,0]=4 1364 B12R1.53 O=C(CCCS)Nc1ccsc1 4834153dcb389a3fba129c81a1be1eb5 [0,0,0,0,0,1|3,0,0]=4 1365 B12R1.53 O=C(CCCS)Nc1cncs1 c860960e4d54759b0c09d4e0a859726f [0,0,0,0,0,1|2,1,0]=4 1366 B12R1.53 O=C(CCCS)Nc1cocn1 93db7f81944fae1b9b73c96831a2f0a9 [0,0,0,0,0,1|3,0,0]=4 1367 B12R1.53 O=C(CCCS)Nc1cscn1 24b6950c285f439cdf38dbce0af250f4 [0,0,0,0,0,1|3,0,0]=4 1368 B12R1.53 O=C(CCCS)Nc1ncco1 fe547389e0b0a5867474551f042decf1 [0,0,0,0,0,1|2,0,0]=3 1369 B12R1.53 O=C(CCCS)Nc1nccs1 6eed66d4a0a2c4bf8f43f99f6d995a65 [0,0,0,0,0,1|2,1,0]=4 1370 B12R1.53 O=C(Cc1ccco1)NCCBr cc8c3445bf60efffd27e03a87476c729 [0,0,0,0,0,1|2,0,0]=3 1371 B12R1.53 O=C(Cc1ccco1)NCCF 564549b65c4ad87242cec85d572f2b79 [0,0,0,0,0,1|2,0,0]=3 1372 B12R1.53 O=C(Cc1ccco1)NCCI dc3fab4c304fc3c5746b2d7ae6a908d4 [0,0,0,0,0,1|2,0,0]=3 1373 B12R1.53 O=C(Cc1ccco1)NCCO 0b63f866bd7e7faed700fe575b3aa284 [0,0,0,0,0,1|2,0,0]=3 1374 B12R1.53 O=C(Cc1ccco1)NCCS bb8338ccb37832bc1b6e9970d63fd8d2 [0,0,0,0,0,1|2,0,0]=3 1375 B12R1.53 O=C(Cc1cccs1)NCCBr 64c80ba5438da7ba430a9df83ef450b5 [0,0,0,0,0,1|2,1,0]=4 1376 B12R1.53 O=C(Cc1cccs1)NCCF eea339707fd2e62744be8a0391d11f8a [0,0,0,0,0,1|2,1,0]=4 1377 B12R1.53 O=C(Cc1cccs1)NCCI b6c2d090e6073e34438bcc25b41c1b70 [0,0,0,0,0,1|2,1,0]=4 1378 B12R1.53 O=C(Cc1cccs1)NCCO 076eadd42d74faabe55a48483b5aa746 [0,0,0,0,0,1|2,1,0]=4 1379 B12R1.53 O=C(Cc1cccs1)NCCS 1fce3fe26a97cc78c0ab442b4f3257b1 [0,0,0,0,0,1|2,1,0]=4 1380 B12R1.53 O=C(Cc1ccno1)NCCBr 46a940a5f6b52c6b8db3dafd9836f08e [0,0,0,0,0,1|3,0,0]=4 1381 B12R1.53 O=C(Cc1ccno1)NCCF 6f0682264dd29df1ba673611fdc029ec [0,0,0,0,0,1|3,0,0]=4 1382 B12R1.53 O=C(Cc1ccno1)NCCI ee776ac56a1bc36febeaa3298dd5ce0d [0,0,0,0,0,1|3,0,0]=4 1383 B12R1.53 O=C(Cc1ccno1)NCCO 37ce33edc98b3af02db07626112f9eea [0,0,0,0,0,1|3,0,0]=4 1384 B12R1.53 O=C(Cc1ccno1)NCCS 82c7c6486833fd23693d1da49a84fe74 [0,0,0,0,0,1|3,0,0]=4 1385 B12R1.53 O=C(Cc1cnco1)NCCBr f57314cb173250a0c5cca0fb9cd6a2d2 [0,0,0,0,0,1|3,0,0]=4 1386 B12R1.53 O=C(Cc1cnco1)NCCF e10e35311f4c3318d0a81d7e152733bf [0,0,0,0,0,1|3,0,0]=4 1387 B12R1.53 O=C(Cc1cnco1)NCCI 0f5a0be7a425064cfd17b4896d126832 [0,0,0,0,0,1|3,0,0]=4 1388 B12R1.53 O=C(Cc1cnco1)NCCO 2d6aaeae3c8809b4a5bc263ba0004181 [0,0,0,0,0,1|3,0,0]=4 1389 B12R1.53 O=C(Cc1cnco1)NCCS 959ff74cf24fe965d87081468ce3e55b [0,0,0,0,0,1|3,0,0]=4 1390 B12R1.53 O=C(NCCF)Nc1ccno1 48650834367f19edf241321787cde416 [0,0,0,0,0,1|3,0,0]=4 1391 B12R1.53 O=C(NCCO)Nc1ccno1 de64babcf944ea94ac7682904204dfd8 [0,0,0,0,0,1|3,0,0]=4 1392 B12R1.53 O=C(NCCO)Nc1ncco1 2724989ee2834472bc5b070bbc7517fb [0,0,0,0,0,1|3,0,0]=4 1393 B12R1.53 O=C(NCCS)Nc1ccno1 1aaf82d1e4286e851231484e2d9cf3c6 [0,0,0,0,0,1|3,0,0]=4 1394 B12R1.53 O=CCCC(=O)Nc1cccs1 ec8e94029c8357724ebf20cfd8a60a78 [0,0,0,0,0,1|1,1,1]=4 1395 B12R1.53 O=CCCC(=O)Nc1ccno1 c21ebb6502bbd5e24027cd3a4d7da6bc [0,0,0,0,0,1|2,0,1]=4 1396 B12R1.53 O=CCCC(=O)Nc1ncco1 9fd04c64afe617dd7e2483000279f884 [0,0,0,0,0,1|2,0,1]=4 1397 B9R0.8 C/C=C(\O)/C(=O)NCCC 23ea8aa451a9786ffb4e55e9ca0b886c [1,0,1,0,0,0|1,0,1]=4 1398 B9R0.8 C=CC(=O)C(=O)NCCC 927918b9fb07236d08cee9294dd952b5 [1,0,1,0,0,0|1,0,1]=4 1399 B9R0.18 C=C/C=C/C(=O)NCCBr 24241347484a6226c8dd7163c33f3c1a [1,0,1,0,0,0|2,0,0]=4 1400 B9R0.18 C=C/C=C/C(=O)NCCC cdb1993c899e293034914219ee12d2cc [1,0,1,0,0,0|1,0,0]=3 1401 B9R0.18 C=C/C=C/C(=O)NCCF 4dfe4489970fda9645b22f2cf971aa1e [1,0,1,0,0,0|2,0,0]=4 1402 B9R0.18 C=C/C=C/C(=O)NCCI 671d50f31f616814a26211768163bb49 [1,0,1,0,0,0|2,0,0]=4 1403 B9R0.18 C=C/C=C/C(=O)NCCO 84cabd46bcaa3ce54eced688b872193d [1,0,1,0,0,0|2,0,0]=4 1404 B9R0.18 C=C/C=C/C(=O)NCCS 36586e03abc7a2f2b3c0061554a2ffb5 [1,0,1,0,0,0|2,0,0]=4 1405 B9R0.18 C=C/C=C\C(=O)NCCBr a49f65f9402775ef02e948cd7b975a1c [1,0,1,0,0,0|2,0,0]=4 1406 B9R0.18 C=C/C=C\C(=O)NCCC c0156ffebe98b66f4e26bb3d1670da8c [1,0,1,0,0,0|1,0,0]=3 1407 B9R0.18 C=C/C=C\C(=O)NCCF aec0cf18cb0e7b29eed657fc7a1e5afe [1,0,1,0,0,0|2,0,0]=4 1408 B9R0.18 C=C/C=C\C(=O)NCCI 66bdf2feccd49490567c5d20fb141202 [1,0,1,0,0,0|2,0,0]=4 1409 B9R0.18 C=C/C=C\C(=O)NCCO 1c213bed3877e97a951b6dd41834f3a2 [1,0,1,0,0,0|2,0,0]=4 1410 B9R0.18 C=C/C=C\C(=O)NCCS fea1ef388904312b919eb18f02bafd16 [1,0,1,0,0,0|2,0,0]=4 1411 B9R0.18 C=CC=CC(=O)NCCBr 0503081e50d4ec51bb10f901e1d82f5b [1,0,1,0,0,0|2,0,0]=4 1412 B9R0.18 C=CC=CC(=O)NCCC 4ac7d936250849aaf88bec9640f41d33 [1,0,1,0,0,0|1,0,0]=3 1413 B9R0.18 C=CC=CC(=O)NCCF 472791024d34eb3a94361b55821717af [1,0,1,0,0,0|2,0,0]=4 1414 B9R0.18 C=CC=CC(=O)NCCI 29f23d14f8b98d20bba802946cee3637 [1,0,1,0,0,0|2,0,0]=4 1415 B9R0.18 C=CC=CC(=O)NCCO 33efd795c69b3cd508d0081edd0a1405 [1,0,1,0,0,0|2,0,0]=4 1416 B9R0.18 C=CC=CC(=O)NCCS ab749ec9ccb6011b2e0c6fdde08d4132 [1,0,1,0,0,0|2,0,0]=4 1417 B9R0.18 CCCNC(=O)/C=C/CO c190444d5bd64d36c3387385e202f269 [1,0,1,0,0,0|1,0,1]=4 1418 B9R0.18 CCCNC(=O)C=CCO 49cfd4b997d1c09ce2b3615e9d82bbb1 [1,0,1,0,0,0|1,0,1]=4 1419 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [2,0,0,0,0,0|1,1,0]=4 1420 B9R1.12 CCCNc1ccno1 278a41485c96cdfca06fb5ac2f62c14e [2,0,0,0,0,0|2,0,0]=4 1421 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [2,0,0,0,0,0|2,0,0]=4 1422 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [2,0,0,0,0,0|1,0,0]=3 1423 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [2,0,0,0,0,0|1,1,0]=4 1424 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [2,0,0,0,0,0|2,0,0]=4 1425 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [2,0,0,0,0,0|1,0,0]=3 1426 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [2,0,0,0,0,0|1,1,0]=4 1427 B9R1.12 CCNCc1ccno1 e3d071a4a6a6b5a56e413f5bc114cce7 [2,0,0,0,0,0|2,0,0]=4 1428 B9R1.12 CCNCc1cnco1 1035caf61cdb047204144eeeaf71318d [2,0,0,0,0,0|2,0,0]=4 1429 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [2,0,0,0,0,0|2,0,0]=4 1430 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [2,0,0,0,0,0|2,0,0]=4 1431 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [2,0,0,0,0,0|1,0,0]=3 1432 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [2,0,0,0,0,0|1,1,0]=4 1433 B9R1.12 CCOCc1ccno1 68fd73c165a46ff5a6360ea6e6f9c37e [2,0,0,0,0,0|2,0,0]=4 1434 B9R1.12 CCOCc1cnco1 682660b9b5fafc169b6b4f8ad83fea44 [2,0,0,0,0,0|2,0,0]=4 1435 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [2,0,0,0,0,0|2,0,0]=4 1436 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [2,0,0,0,0,0|2,0,0]=4 1437 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [2,0,0,0,0,0|2,0,0]=4 1438 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [2,0,0,0,0,0|2,0,0]=4 1439 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [2,0,0,0,0,0|2,0,0]=4 1440 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [2,0,0,0,0,0|2,0,0]=4 1441 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [2,0,0,0,0,0|2,0,0]=4 1442 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [2,0,0,0,0,0|2,0,0]=4 1443 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [2,0,0,0,0,0|2,0,0]=4 1444 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [2,0,0,0,0,0|2,0,0]=4 1445 B11R0.46 C/C=C/C=C/C(=O)NCC(C)C 95c016955e4bfe619f3d298e7be49b5c [0,1,1,0,0,0|2,0,0]=4 1446 B11R0.46 C/C=C/C=C/C(=O)NCC(C)O bbe4fbf32f3460dd74f13121d43d5fd8 [0,1,1,0,0,0|2,0,0]=4 1447 B11R0.46 C/C=C/C=C/C(=O)NC[C@@H](C)O 8cb97146bb1ea3a48c4d213992efcd82 [0,1,1,0,0,0|2,0,0]=4 1448 B11R0.46 C/C=C/C=C/C(=O)NC[C@H](C)O f77b644e4b673ed0b1eb8468dcacd558 [0,1,1,0,0,0|2,0,0]=4 1449 B11R0.46 CC=CC=CC(=O)NCC(C)C 886eb74125e6571e83cd92a5402d2149 [0,1,1,0,0,0|2,0,0]=4 1450 B11R0.46 CC=CC=CC(=O)NCC(C)O e26aaeb6fc2735b7175f43855b6bce4a [0,1,1,0,0,0|2,0,0]=4 1451 B11R0.46 CC=CC=CC(=O)NC[C@@H](C)O 5bb226d15b880a8f6d79f926cdeed558 [0,1,1,0,0,0|2,0,0]=4 1452 B11R0.46 CC=CC=CC(=O)NC[C@H](C)O 90ec7a98d394daeea7b7230c02fdffa0 [0,1,1,0,0,0|2,0,0]=4 1453 B11R0.70 C/C=C(\C)/C=C/C(=O)NCCC d27beccae8279e0c4a00ee312d1abbc4 [0,1,1,0,0,0|2,0,0]=4 1454 B11R0.140 C/C=C/C=C/C(=O)NCCCC 7a886652e33d103605624db7191b1c42 [0,1,1,0,0,0|1,0,0]=3 1455 B11R0.140 C/C=C/C=C/C(=O)NCCCCl e829e6a27ea7ec728e308594c0cefc0c [0,1,1,0,0,0|2,0,0]=4 1456 B11R0.140 C/C=C/C=C/C(=O)NCCCO 905c3bf55b90896bb2bd31617f88e7fd [0,1,1,0,0,0|2,0,0]=4 1457 B11R0.140 C/C=C/C=C/C(=O)NCCOC 786faf6770ce3a3be7a0f4ca8ac96f37 [0,1,1,0,0,0|2,0,0]=4 1458 B11R0.140 C/C=C/C=C/C(=O)NCCSC cacafb0affee4aac5dc6f833ec6fea42 [0,1,1,0,0,0|2,0,0]=4 1459 B11R0.140 C=CCOCC(=O)NCCCC d455ebae115b3b968e174f8dd4a40e63 [0,1,1,0,0,0|0,0,2]=4 1460 B11R0.140 C=CCOCC(=O)OCCCC 71db131d5b82554b7d5eeddd2e3cb12d [0,1,1,0,0,0|0,0,2]=4 1461 B11R0.140 CC=CC=CC(=O)NCCCC 00ad07ea2e0420f3ecd32dc6ed13e273 [0,1,1,0,0,0|1,0,0]=3 1462 B11R0.140 CC=CC=CC(=O)NCCCCl 507e5d8b6e92953ebfc0af8844a40051 [0,1,1,0,0,0|2,0,0]=4 1463 B11R0.140 CC=CC=CC(=O)NCCCO 73d655d341c058569d7de0952e190c75 [0,1,1,0,0,0|2,0,0]=4 1464 B11R0.140 CC=CC=CC(=O)NCCOC 342b6a5604892cef86e3176d2f17c5c0 [0,1,1,0,0,0|2,0,0]=4 1465 B11R0.140 CC=CC=CC(=O)NCCSC 14c4ab5dbf9fba23353681bf2a7e468f [0,1,1,0,0,0|2,0,0]=4 1466 B11R0.154 C/C=C/C=C/C(=O)NC(C)CC 56575e0c0fd41b4b700a1239347ebb8f [0,1,1,0,0,0|2,0,0]=4 1467 B11R0.154 C/C=C/C=C/C(=O)N[C@@H](C)CC 9d288938357b366885e6f0ef10ad6367 [0,1,1,0,0,0|2,0,0]=4 1468 B11R0.154 C/C=C/C=C/C(=O)N[C@H](C)CC 5c2fc05c278d826ce5e7a20e6b6a3b5f [0,1,1,0,0,0|2,0,0]=4 1469 B11R0.154 CC=CC=CC(=O)NC(C)CC def13fd729a4eb5d8a3672c833b809b4 [0,1,1,0,0,0|2,0,0]=4 1470 B11R0.154 CC=CC=CC(=O)N[C@@H](C)CC 2789151bb6b04637622bc275970cd120 [0,1,1,0,0,0|2,0,0]=4 1471 B11R0.154 CC=CC=CC(=O)N[C@H](C)CC 1cf6d770a176f973fe9f092096eeaa5b [0,1,1,0,0,0|2,0,0]=4 1472 B11R1.31 CCN(C)C(=O)c1ccco1 1b82eb35c96b085b915540c07bac3920 [1,1,0,0,0,0|1,0,0]=3 1473 B11R1.31 CCN(C)C(=O)c1cccs1 80970f2e6f1dc626206597e2cfac810d [1,1,0,0,0,0|1,1,0]=4 1474 B11R1.31 CCN(C)C(=O)c1ccno1 25e565a202d4c106f7f9ef9283081d12 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.31 CCN(C)C(=O)c1cnco1 308a66c8ad07b20c950d2b86fa4b36b2 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.31 CCN(C)C(=O)c1ncco1 121c1af6bc556b4fafc677e40bfcf51b [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.4 C#CCCCOc1ccco1 48863f4bff46435d66a3de4ad9cffeee [1,1,0,0,0,0|1,0,1]=4 1478 B11R1.4 C=CCCCNc1ccco1 660f5de4c1ffd26129da0519cec9b1a6 [1,1,0,0,0,0|1,0,1]=4 1479 B11R1.4 C=CCCCOc1ccco1 b027c075cbac3f97664aea8e995da55e [1,1,0,0,0,0|1,0,1]=4 1480 B11R1.4 CC/C=C/COc1ccco1 7bb5227fb9b93981015d5f07c1db3ba2 [1,1,0,0,0,0|1,0,1]=4 1481 B11R1.4 CCCCCNc1ccco1 f970cd05169f1dc22a2fc0868aa59ecb [1,1,0,0,0,0|0,0,1]=3 1482 B11R1.4 CCCCCNc1cccs1 b90d3a17dbc283de48613a781580a30c [1,1,0,0,0,0|0,1,1]=4 1483 B11R1.4 CCCCCNc1ccno1 8f6afcdc2b9aaefcececa096a682bd40 [1,1,0,0,0,0|1,0,1]=4 1484 B11R1.4 CCCCCNc1ncco1 2d0badb0f958a9679e2da64f0b39a666 [1,1,0,0,0,0|1,0,1]=4 1485 B11R1.4 CCCCCOc1ccco1 765a6b19c6da88e1e0ac7cbcc3169645 [1,1,0,0,0,0|0,0,1]=3 1486 B11R1.4 CCCCCOc1cccs1 7728517f8bb9acd624edad115aa58ef5 [1,1,0,0,0,0|0,1,1]=4 1487 B11R1.4 CCCCNCc1ccc[nH]1 8f70a5f3b98455984453df40f90e0765 [1,1,0,0,0,0|1,0,1]=4 1488 B11R1.4 CCCCNCc1ccco1 c9dd13c1879595fe1a868b7933bb7fce [1,1,0,0,0,0|0,0,1]=3 1489 B11R1.4 CCCCNCc1cccs1 af82f42e07056437823a093033a20c93 [1,1,0,0,0,0|0,1,1]=4 1490 B11R1.4 CCCCNCc1ccno1 262684878b2e753dee1f03fefbb0ca8d [1,1,0,0,0,0|1,0,1]=4 1491 B11R1.4 CCCCNCc1cnco1 2a4a1249531c1591596b3e4f73ee8bbf [1,1,0,0,0,0|1,0,1]=4 1492 B11R1.4 CCCCNCc1ncco1 ff6e7c3b8aecd5b953ff555e22db7e3a [1,1,0,0,0,0|1,0,1]=4 1493 B11R1.4 CCCCOCc1ccc[nH]1 f3fb6b951360ba51a09fd1477fb79c9e [1,1,0,0,0,0|1,0,1]=4 1494 B11R1.4 CCCCOCc1ccco1 b9903212f19458d57de7d6a4cad87304 [1,1,0,0,0,0|0,0,1]=3 1495 B11R1.4 CCCCOCc1cccs1 9a50b928bc33363387fdc671f0c971e0 [1,1,0,0,0,0|0,1,1]=4 1496 B11R1.4 CCCCOCc1ccno1 7e24cacd8fbec4788dc07b97168b43c4 [1,1,0,0,0,0|1,0,1]=4 1497 B11R1.4 CCCCOCc1cnco1 b6ad95bec1ea4c873a4f7e0cca9dab2b [1,1,0,0,0,0|1,0,1]=4 1498 B11R1.4 CCCCOCc1ncco1 b2e4254a3f75d1046eb12f6b76cb00ad [1,1,0,0,0,0|1,0,1]=4 1499 B11R1.4 CCCNCCc1ccc[nH]1 8147e22ed6a84884178e68e4a2d743df [1,1,0,0,0,0|1,0,1]=4 1500 B11R1.4 CCCNCCc1ccco1 6b925e785b195733bc9096e5bb1e098f [1,1,0,0,0,0|0,0,1]=3 1501 B11R1.4 CCCNCCc1cccs1 b4154059d941d51114a95a825d16ee4d [1,1,0,0,0,0|0,1,1]=4 1502 B11R1.4 CCCOCCc1ccc[nH]1 5fef4db54b1b5d041886351ac954673a [1,1,0,0,0,0|1,0,1]=4 1503 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [1,1,0,0,0,0|0,0,1]=3 1504 B11R1.4 CCCOCCc1cccs1 3efc7159f8ad1bcf58697e9254fd54d1 [1,1,0,0,0,0|0,1,1]=4 1505 B11R1.4 CCNCCCc1ccco1 43406731f71a6d17b9e88a0e0d1fd4a9 [1,1,0,0,0,0|0,0,1]=3 1506 B11R1.4 CCNCCCc1cccs1 4f6ad20c34b73563b328c34ff6e893f6 [1,1,0,0,0,0|0,1,1]=4 1507 B11R1.4 CCOCCCc1ccco1 ff0106fb5384705690339b058590e0ea [1,1,0,0,0,0|0,0,1]=3 1508 B11R1.4 CCOCCCc1cccs1 4cd565c71e10cfbbaae862aee5b0d4e4 [1,1,0,0,0,0|0,1,1]=4 1509 B11R1.4 CCOCCNc1ccco1 edf6bc75ce1ecbe8b2d1371fa0a7c7f7 [1,1,0,0,0,0|1,0,0]=3 1510 B11R1.4 CCOCCNc1cccs1 79e0477f625c49165dc9a730b6981ba2 [1,1,0,0,0,0|1,1,0]=4 1511 B11R1.4 CCOCCNc1ccno1 38a685dd04fc2df04c51acf373d48d76 [1,1,0,0,0,0|2,0,0]=4 1512 B11R1.4 CCOCCNc1ncco1 ccc1aad269365522ab3e03e0b06f7fbe [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.4 CCOCCOc1ccco1 6e9586a66d86444d56b340b3cf832d00 [1,1,0,0,0,0|1,0,0]=3 1514 B11R1.4 CCOCCOc1cccs1 ca5078397450ab8d451fd9979dfbaf8a [1,1,0,0,0,0|1,1,0]=4 1515 B11R1.4 CCOCNCc1ccco1 f8372757a797acd586fed673a112e283 [1,1,0,0,0,0|1,0,1]=4 1516 B11R1.4 CCSCCNc1cccs1 0d22172f1c832a97dffde5682e3eb2ba [1,1,0,0,0,0|1,1,0]=4 1517 B11R1.4 CCSCCNc1ccno1 335289ee6fd75eab05e3a1f76824e0c3 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.4 CCSCCNc1ncco1 3d36db83ec78b028549a82477600a0d3 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.4 CCSCCOc1ccco1 66dcfad105f9a9cb50616cc928734ed8 [1,1,0,0,0,0|1,0,0]=3 1520 B11R1.4 CCSCCOc1cccs1 3b5a7441262a5fcdcb52fe6c4daa82ae [1,1,0,0,0,0|1,1,0]=4 1521 B11R1.4 COCCCNc1ccco1 2698f49049786585ce01cc05e9674da8 [1,1,0,0,0,0|1,0,0]=3 1522 B11R1.4 COCCCNc1cccs1 7f7a5af46ea6e9f0c52e59c7f1d832ed [1,1,0,0,0,0|1,1,0]=4 1523 B11R1.4 COCCCNc1ccno1 1e99f089c4d86285f9894acab2ffdb19 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.4 COCCCNc1ncco1 e9dd8234360b9a5d70ee7d8634015004 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.4 COCCCOc1ccco1 fdae3f18325cc419b6230e879537460e [1,1,0,0,0,0|1,0,0]=3 1526 B11R1.4 COCCCOc1cccs1 cd4a824920495624ceda3bdff6698441 [1,1,0,0,0,0|1,1,0]=4 1527 B11R1.4 COCCNCc1ccco1 95b208c7b624cddd811e5f2a5fcb58cd [1,1,0,0,0,0|1,0,1]=4 1528 B11R1.4 COCCOCc1ccco1 725e3ef2791da41304e32ce1e5b866bc [1,1,0,0,0,0|1,0,1]=4 1529 B11R1.4 COCNCCc1ccco1 01716a3a6ad3af574182df1f09e586ab [1,1,0,0,0,0|1,0,1]=4 1530 B11R1.4 COCOCCc1ccco1 f2f63f9f1bf1f51f1af61b5279480956 [1,1,0,0,0,0|1,0,1]=4 1531 B11R1.4 CSCCCNc1ccco1 223703238a745a139187ced906fbfa6e [1,1,0,0,0,0|1,0,0]=3 1532 B11R1.4 CSCCCNc1cccs1 7047ab441ce8681f3f802adb99adf1d4 [1,1,0,0,0,0|1,1,0]=4 1533 B11R1.4 CSCCCNc1ccno1 4f96b34f03364fbe46d3a86a6cb960fc [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.4 CSCCCNc1ncco1 4f36d93c87f185c5cd23840a68aea376 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.4 CSCCCOc1ccco1 e2133051d839d99bbaa38e4710539e4b [1,1,0,0,0,0|1,0,0]=3 1536 B11R1.4 CSCCCOc1cccs1 ffdb55b785cf0e61a2599e679c479d0c [1,1,0,0,0,0|1,1,0]=4 1537 B11R1.4 CSCCNCc1ccco1 42df10d55abb408d0ad366e0a0c4708d [1,1,0,0,0,0|1,0,1]=4 1538 B11R1.4 CSCCOCc1ccco1 eac04375621a34591b4b2bb2707e69f4 [1,1,0,0,0,0|1,0,1]=4 1539 B11R1.4 CSCNCCc1ccco1 955d7527c9b30b0eeb00d78c8d1ca80c [1,1,0,0,0,0|1,0,1]=4 1540 B11R1.4 CSCOCCc1ccco1 8dea1195639a3e1bcc76e392ed019f61 [1,1,0,0,0,0|1,0,1]=4 1541 B11R1.4 ClCCCCNc1ccco1 4f6047e8053e4ca5b20756d4602d7b57 [1,1,0,0,0,0|1,0,0]=3 1542 B11R1.4 ClCCCCNc1cccs1 6b3f2c92909060f20e07e192b348e7ff [1,1,0,0,0,0|1,1,0]=4 1543 B11R1.4 ClCCCCNc1ccno1 e0105117abd2b13613fdd1a4ff59e8c8 [1,1,0,0,0,0|2,0,0]=4 1544 B11R1.4 ClCCCCNc1ncco1 72a7d5310ba6c76a178f7a4f21ce07bd [1,1,0,0,0,0|2,0,0]=4 1545 B11R1.4 ClCCCNCc1ccco1 d4243492a69efa66f1e7fb6a77308e50 [1,1,0,0,0,0|1,0,1]=4 1546 B11R1.4 FCCCCNc1cccs1 10178c144a22aa3cb2dc580b04173624 [1,1,0,0,0,0|1,1,0]=4 1547 B11R1.4 FCCCCNc1ccno1 1839faf632d602ce589bc8362e7cf5cf [1,1,0,0,0,0|2,0,0]=4 1548 B11R1.4 FCCCCNc1ncco1 a65493e8220391156b57a92c3bfc5c18 [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.4 FCCCCOc1ccco1 3b5c1d18672ef37f9a77a1d4822c80a3 [1,1,0,0,0,0|1,0,0]=3 1550 B11R1.4 FCCCCOc1cccs1 df311f8707202d078f51aecc58b1dd60 [1,1,0,0,0,0|1,1,0]=4 1551 B11R1.4 FCCCNCc1ccco1 836b8bdb852f84cab6130efd98b98b93 [1,1,0,0,0,0|1,0,1]=4 1552 B11R1.4 FCCCOCc1ccco1 94372377083fec1a5603bb5c43f9ac14 [1,1,0,0,0,0|1,0,1]=4 1553 B11R1.4 FCCNCCc1ccco1 bbe974173ff688a990c92e6cecdfca9b [1,1,0,0,0,0|1,0,1]=4 1554 B11R1.4 FCCOCCc1ccco1 5e5e15a1764c722df3073dcf518946b1 [1,1,0,0,0,0|1,0,1]=4 1555 B11R1.4 FCNCCCc1ccco1 bfc44031b7a1395ee9f41bbfb06de8cc [1,1,0,0,0,0|1,0,1]=4 1556 B11R1.4 FCOCCCc1ccco1 ed76e12af137d43613d1af14dec05e88 [1,1,0,0,0,0|1,0,1]=4 1557 B11R1.4 N#CCCCOc1ccco1 ae481e3d359a58513790a40a38b3d951 [1,1,0,0,0,0|1,0,1]=4 1558 B11R1.4 O=CCCCOc1ccco1 6eb3b93549adc4ea06ed5e7c34eb71cb [1,1,0,0,0,0|1,0,1]=4 1559 B11R1.4 OCCCCNc1ccco1 30c195c8aa3a91ef01061653326494d0 [1,1,0,0,0,0|1,0,0]=3 1560 B11R1.4 OCCCCNc1cccs1 84bc6766d6c8e7b66c767040cd840d9c [1,1,0,0,0,0|1,1,0]=4 1561 B11R1.4 OCCCCNc1ccno1 386376e3bec122319b4db830b21fa633 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.4 OCCCCNc1ncco1 4fe7833c923ca4c1079b301e13933d98 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.4 OCCCNCc1ccco1 62e48e7cb9db31099b0624d2f9d3a61b [1,1,0,0,0,0|1,0,1]=4 1564 B11R1.4 OCCNCCc1ccco1 078e622e2d862de800291c9a8873a5c8 [1,1,0,0,0,0|1,0,1]=4 1565 B11R1.4 OCNCCCc1ccco1 b43418c58856cd447aaa0d9db254c5c2 [1,1,0,0,0,0|1,0,1]=4 1566 B11R1.4 SCCCCNc1ccco1 c4ffbf8523f3562a735e40e5b446c17e [1,1,0,0,0,0|1,0,0]=3 1567 B11R1.4 SCCCCNc1cccs1 daef65ab797c6bc3af78012f35919db1 [1,1,0,0,0,0|1,1,0]=4 1568 B11R1.4 SCCCCNc1ncco1 9fd1e2bdc2e697f025405192aeabaacd [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.4 SCCCNCc1ccco1 937f34ea36e72a87839f4cf926474e38 [1,1,0,0,0,0|1,0,1]=4 1570 B11R1.4 SCCCOCc1ccco1 0907f515a46060017fc310df122362dd [1,1,0,0,0,0|1,0,1]=4 1571 B11R1.4 SCCNCCc1ccco1 a35ba048862c20b3a475eaf580131d98 [1,1,0,0,0,0|1,0,1]=4 1572 B11R1.4 SCCOCCc1ccco1 0771d63b2ff8d578850944dff45c7085 [1,1,0,0,0,0|1,0,1]=4 1573 B11R1.25 BrCC(Br)CNc1ccco1 2fbcd6d811cfd65f76244ad34955fb3c [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.25 C=C(CC)COc1ccco1 8404942ce0c127109105c4a4a2ae6d42 [1,1,0,0,0,0|1,0,1]=4 1575 B11R1.25 CC(CO)CNc1ccco1 71d7f730861dec4d36bae70874e1302c [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.25 CCC(=O)COc1ccco1 84a63c846c70eaac9456a85969f85a7b [1,1,0,0,0,0|1,0,1]=4 1577 B11R1.25 CCC(C)CNc1cccs1 719002605602d496bf65e7aa6778850d [1,1,0,0,0,0|1,1,0]=4 1578 B11R1.25 CCC(C)CNc1ccno1 3515df0d2b01ace6ce08c1cadc4e8aa4 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.25 CCC(C)CNc1ncco1 9bff6017d9e131868149393a9636320f [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.25 CCC(C)COc1ccco1 82daf9b75022db52f0e1a8a1ed2263d3 [1,1,0,0,0,0|1,0,0]=3 1581 B11R1.25 CCC(C)COc1cccs1 22937857e8dff98d6437b2766e53db72 [1,1,0,0,0,0|1,1,0]=4 1582 B11R1.25 CCC(C)NCc1ccco1 5f8142dfde0b789474d1611a11bd8a03 [1,1,0,0,0,0|1,0,1]=4 1583 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [1,1,0,0,0,0|1,0,1]=4 1584 B11R1.25 CCC(O)CNc1ccno1 e4c9e77ab0e3772491579fa432d98499 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.25 CCC(O)CNc1ncco1 07030d95b264524e26936f7ebb505323 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.25 CC[C@@H](C)CNc1cccs1 f88bb69c6e9f83a12f594a06fdf66307 [1,1,0,0,0,0|1,1,0]=4 1587 B11R1.25 CC[C@@H](C)CNc1ccno1 825c423f1286c93d9e043adba244ddc6 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.25 CC[C@@H](C)CNc1ncco1 27405b8857f0fa342cdba4ca8b725aad [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.25 CC[C@@H](C)COc1ccco1 fe756872e20a8d4589f7190b98a97cbb [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.25 CC[C@@H](C)COc1cccs1 a8a82373e9b283f8c47ede5693410289 [1,1,0,0,0,0|1,1,0]=4 1591 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [1,1,0,0,0,0|1,0,1]=4 1592 B11R1.25 CC[C@@H](O)CNc1ncco1 2eb07283e2f4550a6a54c236f764da8a [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.25 CC[C@H](C)CNc1cccs1 528b0369c1a80c82b116b99478794ea0 [1,1,0,0,0,0|1,1,0]=4 1594 B11R1.25 CC[C@H](C)CNc1ccno1 0cbcc2c829e154c2a9c9cdef8e9db895 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.25 CC[C@H](C)CNc1ncco1 d706acc2b66dd572d8d748bd2230e850 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.25 CC[C@H](C)COc1ccco1 350557fd898c2c60bb4ffc046ace81ec [1,1,0,0,0,0|1,0,0]=3 1597 B11R1.25 CC[C@H](C)COc1cccs1 a1cf12afbd0571b4289f48578ecfad7c [1,1,0,0,0,0|1,1,0]=4 1598 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [1,1,0,0,0,0|1,0,1]=4 1599 B11R1.25 COC(C)COc1ccco1 93065ea5c69b6fbdb33bcca608d73f09 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.25 CO[C@@H](C)COc1ccco1 e557909e371149b446b7f97226f650cc [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.25 CO[C@H](C)COc1ccco1 a1992187ae1c40f3e1e43f18845ac2cf [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.25 C[C@H](CO)CNc1ccco1 1f73a8f603f63c0fa3041d3cfeae2992 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.25 OCC(F)CNc1ccco1 6118cd8fe03f23b4b857d00ba0954269 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.25 OCC(O)CNc1ccco1 7b9c5f5e56970f10dc520432573197fd [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.25 OCC(O)COc1ccco1 dc2d0395a69f183df492a923cb6135fe [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.25 OC[C@@H](F)CNc1ccco1 dcc7f4fd9bf37253e26a69daeac1ef88 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.25 OC[C@@H](O)CNc1ccco1 5bdffd493ff70e4c17df01516b7b710e [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.25 OC[C@@H](O)COc1ccco1 a2b3e11dbfc8d2a213f5cf3d47f6f47c [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.25 OC[C@H](F)CNc1ccco1 b4e843b79edaeee1b9a67a112df8a9b9 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.25 OC[C@H](O)CNc1ccco1 9ee578a59bfbcffe6d64fa58e61adc7a [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.25 OC[C@H](O)COc1ccco1 d2c1f9a4756405de44337580e6551280 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.27 CCCCNc1cc(=O)[nH]o1 ce2d61c31e6eb4659aed8a9e34b3e044 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.27 CCCCNc1cc(no1)C 62f822a78adfb1cf4336a71af35108dc [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.27 CCCCNc1ccc(o1)C 54a31b1b1db1c0b2c103168592fd1e58 [1,1,0,0,0,0|1,0,0]=3 1615 B11R1.27 CCCCNc1ccc(s1)Br 95cec4bfbe1aa504e7bf64f6d4666be9 [1,1,0,0,0,0|1,1,0]=4 1616 B11R1.27 CCCCNc1ccc(s1)C 9a43ce195f1ee434010c1ff36b1221dd [1,1,0,0,0,0|1,1,0]=4 1617 B11R1.27 CCCCNc1ccc(s1)F 5f453420ca21f6fd205c4f45e4439869 [1,1,0,0,0,0|1,1,0]=4 1618 B11R1.27 CCCCNc1cnc(o1)C d92f7841ae28c142c5fb98f09d40c4a1 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.27 CCCCNc1nc(co1)Br cfca28ac6e9e9262d6c23fd0e0d3a9c2 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.27 CCCCNc1nc(co1)C e20aedaf9810db8cd099cb2efd9f1c7f [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.27 CCCCNc1ncc(o1)C 738dc8ef97abdc62d7575db3055ea12b [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.27 CCCCOC1C=CC(=O)O1 8de5a6aabb96fa2068f232a13afea463 [1,1,0,0,0,0|1,0,1]=4 1623 B11R1.27 CCCCOc1cc(cs1)C 329233269477c7378803f4cb63e8a0af [1,1,0,0,0,0|1,1,0]=4 1624 B11R1.27 CCCCOc1ccc(s1)Br c5d0589b1649f6f62786ee5968bf4d93 [1,1,0,0,0,0|1,1,0]=4 1625 B11R1.27 CCCNCc1cc(co1)C cfa2d3379118e389ad04c13e63b9ec9a [1,1,0,0,0,0|1,0,1]=4 1626 B11R1.27 CCCNCc1ccc(o1)Br 304e44400ec5f59c8a510759c73f6f7f [1,1,0,0,0,0|1,0,1]=4 1627 B11R1.27 CCCNCc1ccc(o1)C 62eaddc55a3431ff1bc6049cfb34132d [1,1,0,0,0,0|1,0,1]=4 1628 B11R1.27 CCCOCc1cc(co1)Br bd4978901df827d0d2c777a4f7fe2493 [1,1,0,0,0,0|1,0,1]=4 1629 B11R1.27 CCCOCc1ccc(o1)Br ee996c349c568cda2668245671e4e970 [1,1,0,0,0,0|1,0,1]=4 1630 B11R1.27 CCCOCc1ccc(o1)C 44413ee853d5fc7b158361bd02b5f576 [1,1,0,0,0,0|1,0,1]=4 1631 B11R1.27 CCNCCc1ccc(o1)C 970942009447c5bc88a3bda9d5d6e2a8 [1,1,0,0,0,0|1,0,1]=4 1632 B11R1.27 CCOCCc1ccc(o1)C 4ddf07a2cc1d2413b762eea0519bec00 [1,1,0,0,0,0|1,0,1]=4 1633 B11R1.27 COCCNc1cc(co1)C cc5401d7664ade2ea51c12cdcbb10b8c [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.27 COCCNc1ccc(o1)C d038da6d4e65b458ff86a5c1f1a26d41 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.27 CSCCNc1ccc(o1)C b9a14901d1c3c9004037a147536c8468 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.27 Cc1ccc(o1)NCCCCl ded35675e9c3b47ac9a36d359f462da2 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.27 Cc1ccc(o1)NCCCO c64452969421de3b5347c016590cb12d [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.30 CCCC(C)Nc1ccno1 a59d4ea592343bf0f35aa3486145a742 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.30 CCCC(C)Nc1ncco1 3b3abc37f1b3c759cd4bd5bbcc94dd4c [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.30 CCCC(C)Oc1ccco1 715c6a459f942b82fe295bae77d57485 [1,1,0,0,0,0|1,0,0]=3 1641 B11R1.30 CCCC(C)Oc1cccs1 796dc12e7e3554432ba77b7bb6595c04 [1,1,0,0,0,0|1,1,0]=4 1642 B11R1.30 CCCN(C)Cc1ccco1 13f6d562055bcf95cd6da20bf92f66e4 [1,1,0,0,0,0|1,0,1]=4 1643 B11R1.30 CCNC(C)Cc1ccco1 d3bc82612ebcebe3fdc3daa746d06097 [1,1,0,0,0,0|1,0,1]=4 1644 B11R1.30 CCOC(C)Cc1ccco1 4721e32c92e264327edcbf525712e92a [1,1,0,0,0,0|1,0,1]=4 1645 B11R1.30 COCC(C)Oc1ccco1 8c16ff75bc7d6180985e9463a9cff0e5 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.172 C=C(C)CCNc1ccco1 d13ab3139578804f2db3f1bc827b21b8 [1,1,0,0,0,0|1,0,1]=4 1647 B11R1.172 C=C(C)CCOc1ccco1 b5bfa72618728008bf7e5b105d505c14 [1,1,0,0,0,0|1,0,1]=4 1648 B11R1.172 CC(=O)CCOc1ccco1 1304331aa569973df701f4c541cd36f9 [1,1,0,0,0,0|1,0,1]=4 1649 B11R1.172 CC(C)CCNc1ccco1 0e041b2f4b640f51ce49397377a10223 [1,1,0,0,0,0|1,0,0]=3 1650 B11R1.172 CC(C)CCNc1cccs1 b29fb4c479a2f9ae2c76659a475dd1e2 [1,1,0,0,0,0|1,1,0]=4 1651 B11R1.172 CC(C)CCNc1ccno1 3d49b3a1aa51156511680943bc45cc21 [1,1,0,0,0,0|2,0,0]=4 1652 B11R1.172 CC(C)CCNc1ncco1 8fa04247aab3e66a2755473ad1724e74 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.172 CC(C)CCOc1ccco1 8d841360fc8b7eeb8a9816f92abe8dd7 [1,1,0,0,0,0|1,0,0]=3 1654 B11R1.172 CC(C)CCOc1cccs1 06337048459e9830423ea92a8c3a7917 [1,1,0,0,0,0|1,1,0]=4 1655 B11R1.172 CC(C)CNCc1ccco1 1b61b056633b02c6b253717bdc3f6b4e [1,1,0,0,0,0|1,0,1]=4 1656 B11R1.172 CC(C)COCc1ccco1 99062e49951b35e6277ae5df50b7eb8b [1,1,0,0,0,0|1,0,1]=4 1657 B11R1.172 CC(C)NCCc1ccco1 f5a48b9013a3de5311256701c81ca609 [1,1,0,0,0,0|1,0,1]=4 1658 B11R1.172 CC(C)OCCc1ccco1 e7f3ba800a326f72fff6110f1619a3df [1,1,0,0,0,0|1,0,1]=4 1659 B11R1.172 CC(C)OCOc1ccco1 94ef49e4a6ce8f3dd52623eab2ad6e1b [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.172 CC(F)COCc1ccco1 d0f129770505d2aafab7a0041834f6ad [1,1,0,0,0,0|1,0,1]=4 1661 B11R1.172 CC(O)CCNc1cccs1 2be6abdeb25e1a613e3824969dae5a95 [1,1,0,0,0,0|1,1,0]=4 1662 B11R1.172 CC(O)CCNc1ccno1 af79f95f42d3f2cf9e2dbe19ca249fe0 [1,1,0,0,0,0|2,0,0]=4 1663 B11R1.172 CC(O)CCNc1ncco1 75c6c0c1bbfd1b91cfc8b463b8b7c775 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.172 CC(O)CNCc1ccco1 dba85ac96ca60610e6077e0d05d62bcd [1,1,0,0,0,0|1,0,1]=4 1665 B11R1.172 CC(S)COCc1ccco1 64d0adfb42f5538807c786da49eb2388 [1,1,0,0,0,0|1,0,1]=4 1666 B11R1.172 CN(C)CCNc1ccco1 9c4c9a92fc72f7218aa7192da3b54150 [1,1,0,0,0,0|2,0,0]=4 1667 B11R1.172 CN(C)CCOc1ccco1 7522b649958b5b49c4aef79351655606 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.172 CS(=O)CCNc1ccco1 b5c41bf9a4c4b4784e62738332f55e27 [1,1,0,0,0,0|2,0,0]=4 1669 B11R1.172 CS(=O)CCOc1ccco1 ebae9dbe7878c9e08d546f06556993fc [1,1,0,0,0,0|2,0,0]=4 1670 B11R1.172 C[C@@H](F)COCc1ccco1 d6b942e64f19e537e65fb887839c99a6 [1,1,0,0,0,0|1,0,1]=4 1671 B11R1.172 C[C@@H](O)CCNc1cccs1 4f802c737665298fc909b0e83238e6ea [1,1,0,0,0,0|1,1,0]=4 1672 B11R1.172 C[C@@H](O)CCNc1ncco1 526ef39734d38458711916f690fcc4eb [1,1,0,0,0,0|2,0,0]=4 1673 B11R1.172 C[C@@H](O)CNCc1ccco1 63796111ed16563c371374fd22b9d739 [1,1,0,0,0,0|1,0,1]=4 1674 B11R1.172 C[C@H](F)COCc1ccco1 fbf7bd3431d8f8c5f513c23259a8679a [1,1,0,0,0,0|1,0,1]=4 1675 B11R1.172 C[C@H](O)CCNc1cccs1 3016d239b47ebdea25cc9af11da7d6d7 [1,1,0,0,0,0|1,1,0]=4 1676 B11R1.172 C[C@H](O)CCNc1ncco1 709c6b7cefae01bfa99646d96c43c28e [1,1,0,0,0,0|2,0,0]=4 1677 B11R1.172 C[C@H](O)CNCc1ccco1 14b70b5b444307109cbe8cf07983b605 [1,1,0,0,0,0|1,0,1]=4 1678 B11R1.172 FC(F)CCNc1ccco1 60d42532f681cd400c369f9801d8acef [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.180 CCCCNc1cccn1C 832204d8dcb1af64b9a1e1bacf002b6c [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.180 CCCCNc1oncc1C 2544a8b8d9fe1bda4bc6d4d01e3e0b5f [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.180 CCCCNc1sccc1C b5489a4a5937f782ef16c288eda79112 [1,1,0,0,0,0|1,1,0]=4 1682 B11R1.180 CCCCOc1cccn1C 3d38f62a78a4cbc2c835f47b4346f2ef [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.180 CCCNCc1occc1C 297d9026c2421572c3fef990f3888ecd [1,1,0,0,0,0|1,0,1]=4 1684 B11R1.180 CCCOCc1occc1Br 1779a7ddf8d77a2508c40f71cd8fc904 [1,1,0,0,0,0|1,0,1]=4 1685 B11R1.180 CCCOCc1occc1C 41560230818bf69c71c16c988d078fb0 [1,1,0,0,0,0|1,0,1]=4 1686 B11R1.299 CCCCNC(=O)C1=CCC1 4e990555a9832402130a708dbbc2d2f7 [0,1,0,0,1,0|0,0,2]=4 1687 B13R1.11 CCC(C)NC(=O)c1ccccc1 a24eb8c017f10a79362021a72e15a1c5 [0,1,0,0,0,1|2,0,0]=4 1688 B13R1.11 CCC(C)NC(=O)c1ccccn1 b23862632c23cd8ceeb2c5565276c22d [0,1,0,0,0,1|2,0,0]=4 1689 B13R1.11 CCC(C)NC(=O)c1cccnc1 548c69578c32562372d09ecca4049638 [0,1,0,0,0,1|2,0,0]=4 1690 B13R1.11 CCC(C)NC(=O)c1cccnn1 978b90e0dfd3edcb4e9d34093d5bd6d8 [0,1,0,0,0,1|2,0,0]=4 1691 B13R1.11 CCC(C)NC(=O)c1ccncc1 4bccf6f3301803fd76d25f069b4ea143 [0,1,0,0,0,1|2,0,0]=4 1692 B13R1.11 CCC(C)NC(=O)c1ccncn1 71cf9cead1815bafc4769a2d133a0907 [0,1,0,0,0,1|2,0,0]=4 1693 B13R1.11 CCC(C)NC(=O)c1cnccn1 6fb650621d6d8b6df019fa0963ab92e2 [0,1,0,0,0,1|2,0,0]=4 1694 B13R1.11 CCC(C)NC(=O)c1ncccn1 2b1f38a76d2576b93163309e4c14106f [0,1,0,0,0,1|2,0,0]=4 1695 B13R1.11 CCN(C)CC(=O)c1ccccc1 35f11f1a6f778abbef85229a19e2a61f [0,1,0,0,0,1|2,0,0]=4 1696 B13R1.11 CCN(C)CC(=O)c1ccccn1 692e9b0e5f182df69b2bdc19a5397b48 [0,1,0,0,0,1|2,0,0]=4 1697 B13R1.11 CCN(C)CC(=O)c1cccnc1 be5b4559d73b88cc86ed007a1c63229c [0,1,0,0,0,1|2,0,0]=4 1698 B13R1.11 CCN(C)CC(=O)c1ccncn1 86a4d23ad78ed6e201110929cf66b068 [0,1,0,0,0,1|2,0,0]=4 1699 B13R1.11 CCN(C)CC(=O)c1cnccn1 1daacde75c4de8f20b83f08543e88505 [0,1,0,0,0,1|2,0,0]=4 1700 B13R1.11 CC[C@@H](C)NC(=O)c1ccccc1 5ab596bb25c88592dc60fb3be166fea6 [0,1,0,0,0,1|2,0,0]=4 1701 B13R1.11 CC[C@@H](C)NC(=O)c1ccccn1 16d74b3271ede29f75b491ebd74a934f [0,1,0,0,0,1|2,0,0]=4 1702 B13R1.11 CC[C@@H](C)NC(=O)c1cccnc1 43b979bfee5470502abb2e112513fcf0 [0,1,0,0,0,1|2,0,0]=4 1703 B13R1.11 CC[C@@H](C)NC(=O)c1cccnn1 fd7059c93a9c4cc51ba479194d48c1ed [0,1,0,0,0,1|2,0,0]=4 1704 B13R1.11 CC[C@@H](C)NC(=O)c1ccncc1 70753b4bdf29801bd157d14d1d46eab9 [0,1,0,0,0,1|2,0,0]=4 1705 B13R1.11 CC[C@@H](C)NC(=O)c1ccncn1 e25e37f22894c4479fcfe82f18b26871 [0,1,0,0,0,1|2,0,0]=4 1706 B13R1.11 CC[C@@H](C)NC(=O)c1cnccn1 c11b2f7a90f03bdd1b5dbfd505f6be49 [0,1,0,0,0,1|2,0,0]=4 1707 B13R1.11 CC[C@@H](C)NC(=O)c1ncccn1 0cf91e2ae7752eb021ed0d302c4962bc [0,1,0,0,0,1|2,0,0]=4 1708 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 c658e513af3b9f827ed093c5c341ea70 [0,1,0,0,0,1|2,0,0]=4 1709 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 890b757afc220f85813795e6e40e1ec8 [0,1,0,0,0,1|2,0,0]=4 1710 B13R1.11 CC[C@H](C)NC(=O)c1cccnc1 b87b432b47565b6cd0dedeb7dd9f0e08 [0,1,0,0,0,1|2,0,0]=4 1711 B13R1.11 CC[C@H](C)NC(=O)c1cccnn1 b0f3c4b58bd5c7e933d20c4627874a47 [0,1,0,0,0,1|2,0,0]=4 1712 B13R1.11 CC[C@H](C)NC(=O)c1ccncc1 34c1b4dc661391e4eaab659125ddac7e [0,1,0,0,0,1|2,0,0]=4 1713 B13R1.11 CC[C@H](C)NC(=O)c1ccncn1 a3385583e8c42513873b288db9f34f8e [0,1,0,0,0,1|2,0,0]=4 1714 B13R1.11 CC[C@H](C)NC(=O)c1cnccn1 dbef69b1d555be3356741ac51d9033e6 [0,1,0,0,0,1|2,0,0]=4 1715 B13R1.11 CC[C@H](C)NC(=O)c1ncccn1 4734acb04f2367cee5beb4b32d8f1b3e [0,1,0,0,0,1|2,0,0]=4 1716 B13R1.17 CCCNC(=O)C1=CCC(=CC1)C f23170afaa9ab80ad8fd91caef22518a [0,1,0,0,0,1|2,0,0]=4 1717 B13R1.17 CCCNC(=O)c1cc[n+](cc1)[O-] b482907429fc03e50fd8365d13eaad25 [0,1,0,0,0,1|2,0,0]=4 1718 B13R1.17 CCCNC(=O)c1ccc(=O)oc1 51a0d730f783331c684723a1db798e9e [0,1,0,0,0,1|1,0,0]=3 1719 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 2b2ea3f4f0df7b35ba9fcdbb5fec24b2 [0,1,0,0,0,1|2,0,0]=4 1720 B13R1.17 CCCNC(=O)c1ccc(cc1)C a2e242a871b61519afce9ad38c70e206 [0,1,0,0,0,1|2,0,0]=4 1721 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 721252a991e3bdae56280b955efbd9d7 [0,1,0,0,0,1|2,0,0]=4 1722 B13R1.17 CCCNC(=O)c1ccc(cc1)F 635c9176c539dbca6324e6f4cd22bec8 [0,1,0,0,0,1|2,0,0]=4 1723 B13R1.17 CCCNC(=O)c1ccc(cc1)I cbd97e8853568f71b301ac00a1ad92ae [0,1,0,0,0,1|2,0,0]=4 1724 B13R1.17 CCCNC(=O)c1ccc(cc1)O 924debdb1818c8f5e0cc8e59eb808dc9 [0,1,0,0,0,1|2,0,0]=4 1725 B13R1.17 CCCNC(=O)c1ccc(cc1)S dfa96b424491dc69bf7dfd1ca016f591 [0,1,0,0,0,1|2,0,0]=4 1726 B13R1.17 CCCNC(=O)c1ccc(cn1)Br b2c285d0c9d6693831d09fee0f93bc56 [0,1,0,0,0,1|2,0,0]=4 1727 B13R1.17 CCCNC(=O)c1ccc(cn1)C b22c76f6a86a8bc3f93102d324fa8426 [0,1,0,0,0,1|2,0,0]=4 1728 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl a5e8e397aefb81b07569119a7dabb28c [0,1,0,0,0,1|2,0,0]=4 1729 B13R1.17 CCCNC(=O)c1ccc(cn1)F e94e65f514d64ee8e3663078d7c953a4 [0,1,0,0,0,1|2,0,0]=4 1730 B13R1.17 CCCNC(=O)c1ccc(cn1)I 454e8725cb5aedc375aaf7539e6b6959 [0,1,0,0,0,1|2,0,0]=4 1731 B13R1.17 CCCNC(=O)c1ccc(cn1)O 1d7a4c1ffa36c9b85bac266aea30787a [0,1,0,0,0,1|2,0,0]=4 1732 B13R1.17 CCCNC(=O)c1ccc(nc1)Br f45999a48e61d2193eaaa3da6f009b53 [0,1,0,0,0,1|2,0,0]=4 1733 B13R1.17 CCCNC(=O)c1ccc(nc1)C f3db66e2abaa47a7e3bd9899f7e01037 [0,1,0,0,0,1|2,0,0]=4 1734 B13R1.17 CCCNC(=O)c1ccc(nc1)Cl 43f18fb18b2b6eb1e2b90ea01925db4f [0,1,0,0,0,1|2,0,0]=4 1735 B13R1.17 CCCNC(=O)c1ccc(nc1)F 85b13d5be1f476598ee5e357766a2256 [0,1,0,0,0,1|2,0,0]=4 1736 B13R1.17 CCCNC(=O)c1ccc(nc1)I 1c26117c8c0b9f652c172f94dbf6760f [0,1,0,0,0,1|2,0,0]=4 1737 B13R1.17 CCCNC(=O)c1ccc(nc1)O dceaaf928e47eb711f7177086d444a83 [0,1,0,0,0,1|2,0,0]=4 1738 B13R1.17 CCCNC(=O)c1ccc(nc1)S b817ad5f34ebb29d5e4994ec1ae733ba [0,1,0,0,0,1|2,0,0]=4 1739 B13R1.17 CCCNC(=O)c1ccc(nn1)Br 03f6ab99b6407bc263a89728d7990245 [0,1,0,0,0,1|2,0,0]=4 1740 B13R1.17 CCCNC(=O)c1ccc(nn1)C 084b6864a6f9bf584f1d3144f91c1333 [0,1,0,0,0,1|2,0,0]=4 1741 B13R1.17 CCCNC(=O)c1ccc(nn1)Cl 390c6f97634701a1c4260d38e139a15b [0,1,0,0,0,1|2,0,0]=4 1742 B13R1.17 CCCNC(=O)c1cnc(cn1)Br 9720dc86cbe0b805e72431b895dd2ea2 [0,1,0,0,0,1|2,0,0]=4 1743 B13R1.17 CCCNC(=O)c1cnc(cn1)C 97995a054f3ef14876dce6ac3428810e [0,1,0,0,0,1|2,0,0]=4 1744 B13R1.17 CCCNC(=O)c1cnc(cn1)Cl ac35ddfcbe4e46063bba3cd4934548ca [0,1,0,0,0,1|2,0,0]=4 1745 B13R1.17 CCCNC(=O)c1cnc(cn1)F 433f8fd5a3e7cd30d4b592e2809b3b2f [0,1,0,0,0,1|2,0,0]=4 1746 B13R1.17 CCCNC(=O)c1cnc(cn1)O d2435a850d28d8ec148dcecc82b853ba [0,1,0,0,0,1|2,0,0]=4 1747 B13R1.17 CCCNC(=O)c1ncc(cn1)Br a957e1dee09805e5a8e5e65a03d9e89b [0,1,0,0,0,1|2,0,0]=4 1748 B13R1.17 CCCNC(=O)c1ncc(cn1)C 7cee8376e323426984409b7ad2a4be41 [0,1,0,0,0,1|2,0,0]=4 1749 B13R1.17 CCCNC(=O)c1ncc(cn1)Cl 096b7df331ada3933a7bb31cfb144158 [0,1,0,0,0,1|2,0,0]=4 1750 B13R1.17 CCCNC(=O)c1ncc(cn1)F 564d0d3955787f7b220a044e4c6b1f71 [0,1,0,0,0,1|2,0,0]=4 1751 B13R1.17 CCCNC(=O)c1ncc(cn1)O 7534bc3bf1c714a63053847213bcfa28 [0,1,0,0,0,1|2,0,0]=4 1752 B13R1.17 CCNCC(=O)c1ccc(cc1)Br 9af3410033487e6aec49e88b2245f366 [0,1,0,0,0,1|2,0,0]=4 1753 B13R1.17 CCNCC(=O)c1ccc(cc1)C 23c4834c9907c2a4931068c67d774dd3 [0,1,0,0,0,1|2,0,0]=4 1754 B13R1.17 CCNCC(=O)c1ccc(cc1)Cl 542c11291eb3e5f63984dce3fe41dde4 [0,1,0,0,0,1|2,0,0]=4 1755 B13R1.17 CCOCC(=O)c1ccc(cc1)Br 47eacd55be2f23608ed6c3b6a8445d37 [0,1,0,0,0,1|2,0,0]=4 1756 B13R1.17 CCOCC(=O)c1ccc(cc1)C 36ffa2f5f7f754f94d83ea2343c119d1 [0,1,0,0,0,1|2,0,0]=4 1757 B13R1.17 CCOCC(=O)c1ccc(cc1)Cl 2c446b5001696a9515a3214052597d43 [0,1,0,0,0,1|2,0,0]=4 1758 B13R1.17 CCOCC(=O)c1ccc(cc1)F 31de1ff2de4c9ed423101bd84e67f476 [0,1,0,0,0,1|2,0,0]=4 1759 B13R1.17 CCOCC(=O)c1ccc(cc1)I 43155eca4da70bae7abe5712052bc9cc [0,1,0,0,0,1|2,0,0]=4 1760 B13R1.17 O=C(NCCBr)c1ccc(=O)oc1 e58ce30e9188bc5134f32b7064790930 [0,1,0,0,0,1|2,0,0]=4 1761 B13R1.17 O=C(NCCF)c1ccc(=O)oc1 222e9f14e30a1ebc80b7823a1f4412a0 [0,1,0,0,0,1|2,0,0]=4 1762 B13R1.17 O=C(NCCI)c1ccc(=O)oc1 5dc0dcc89e33fde4bab5bf0c2ec0e8ae [0,1,0,0,0,1|2,0,0]=4 1763 B13R1.17 O=C(NCCO)c1ccc(=O)oc1 dac7120b41226781c1c1fb74cf94f28e [0,1,0,0,0,1|2,0,0]=4 1764 B13R1.17 O=C(NCCS)c1ccc(=O)oc1 1ad6620891a41f818acb93093f8e5b70 [0,1,0,0,0,1|2,0,0]=4 1765 B13R1.18 CCCNC(=O)c1cc(=O)cco1 af84c6c3a0ca1ea10b6021c2d0801843 [0,1,0,0,0,1|1,0,0]=3 1766 B13R1.18 CCCNC(=O)c1cc(ccn1)Br 49e1786823e707f7e4ceef96dc74d8a8 [0,1,0,0,0,1|2,0,0]=4 1767 B13R1.18 CCCNC(=O)c1cc(ccn1)C 126a9ec48e9c12fc23517496949b0ce9 [0,1,0,0,0,1|2,0,0]=4 1768 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl a6c397b0e431771a8efbeceb9b67d9c8 [0,1,0,0,0,1|2,0,0]=4 1769 B13R1.18 CCCNC(=O)c1cc(ccn1)F cd15e10b2a6df86c2d54031f632a0321 [0,1,0,0,0,1|2,0,0]=4 1770 B13R1.18 CCCNC(=O)c1cc(ccn1)I 509884d5841d0297daa377e165238ab2 [0,1,0,0,0,1|2,0,0]=4 1771 B13R1.18 CCCNC(=O)c1cc(ccn1)O b1455a3818eac86017451229ea4f2a24 [0,1,0,0,0,1|2,0,0]=4 1772 B13R1.18 CCCNC(=O)c1cc(cnn1)C 00e4925b25cd792753a4a460d8da16f0 [0,1,0,0,0,1|2,0,0]=4 1773 B13R1.18 CCCNC(=O)c1cc(cnn1)Cl 338c671280ff4e9fa74a861b8040cf42 [0,1,0,0,0,1|2,0,0]=4 1774 B13R1.18 CCCNC(=O)c1cc(ncn1)C ee443ba00a0105169549e71adcbedba2 [0,1,0,0,0,1|2,0,0]=4 1775 B13R1.18 CCCNC(=O)c1cc(ncn1)Cl 8e5a26639af18e0775f93afa1a97fcf2 [0,1,0,0,0,1|2,0,0]=4 1776 B13R1.18 CCCNC(=O)c1cc(ncn1)O c375a52f82f57a6db8dc414ff4f895a3 [0,1,0,0,0,1|2,0,0]=4 1777 B13R1.18 CCCNC(=O)c1ccc[n+](c1)[O-] 2e1178baf239e20e5b47acbd55748125 [0,1,0,0,0,1|2,0,0]=4 1778 B13R1.18 CCCNC(=O)c1cccc(c1)Br 0ef4867b5c73961e3b1b10708c5fef27 [0,1,0,0,0,1|2,0,0]=4 1779 B13R1.18 CCCNC(=O)c1cccc(c1)C 196ef7a6c36110e02f73fbab25c28381 [0,1,0,0,0,1|2,0,0]=4 1780 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1452f1a721c0c60a2ab3269b2363cc8c [0,1,0,0,0,1|2,0,0]=4 1781 B13R1.18 CCCNC(=O)c1cccc(c1)F d0df8f5e1ee800112820f1973e38f79c [0,1,0,0,0,1|2,0,0]=4 1782 B13R1.18 CCCNC(=O)c1cccc(c1)I 256af16b74e90029e320086839994931 [0,1,0,0,0,1|2,0,0]=4 1783 B13R1.18 CCCNC(=O)c1cccc(c1)O 1af4609d9ab2aee9ff7ae897e816db79 [0,1,0,0,0,1|2,0,0]=4 1784 B13R1.18 CCCNC(=O)c1cccc(c1)S 49c835a4a9df108f43ac7cc15ce69547 [0,1,0,0,0,1|2,0,0]=4 1785 B13R1.18 CCCNC(=O)c1cccc(n1)Br cd6c8261f3204574295fab155e815cd1 [0,1,0,0,0,1|2,0,0]=4 1786 B13R1.18 CCCNC(=O)c1cccc(n1)C 8f59eccd0f2e1ec223a2f1a6116057e1 [0,1,0,0,0,1|2,0,0]=4 1787 B13R1.18 CCCNC(=O)c1cccc(n1)Cl f863fbd9a996a5db97944f2fdbf1672a [0,1,0,0,0,1|2,0,0]=4 1788 B13R1.18 CCCNC(=O)c1cccc(n1)F 8ff0483afb7f44179a10d5af934de8ed [0,1,0,0,0,1|2,0,0]=4 1789 B13R1.18 CCCNC(=O)c1cccc(n1)I be538f993d239bfb435dc17cf2b199a1 [0,1,0,0,0,1|2,0,0]=4 1790 B13R1.18 CCCNC(=O)c1cccc(n1)O 99a0cbb3dcf038e021f99ef7a7d1c0e7 [0,1,0,0,0,1|2,0,0]=4 1791 B13R1.18 CCCNC(=O)c1ccnc(c1)Br 9e279204591462a347b58a346c9776a8 [0,1,0,0,0,1|2,0,0]=4 1792 B13R1.18 CCCNC(=O)c1ccnc(c1)C c28f2f08c2ec6aeec5fc1810a7ef5f36 [0,1,0,0,0,1|2,0,0]=4 1793 B13R1.18 CCCNC(=O)c1ccnc(c1)Cl bfcdf6c47412ecb9d57bdd3c5244f2b2 [0,1,0,0,0,1|2,0,0]=4 1794 B13R1.18 CCCNC(=O)c1ccnc(c1)F a841cf31062e34a497930f5776788879 [0,1,0,0,0,1|2,0,0]=4 1795 B13R1.18 CCCNC(=O)c1ccnc(c1)I d3cd5a88f6bd486eb1bcb76f43e7532f [0,1,0,0,0,1|2,0,0]=4 1796 B13R1.18 CCCNC(=O)c1ccnc(c1)O 42dc283785cb91dda7a661e6e2caa094 [0,1,0,0,0,1|2,0,0]=4 1797 B13R1.18 CCCNC(=O)c1ccnc(c1)S c3b3cf273f70b06fef19e3da8af33cc1 [0,1,0,0,0,1|2,0,0]=4 1798 B13R1.18 CCCNC(=O)c1ccnc(n1)Br 10b4030bcef6517e86e6808727421d34 [0,1,0,0,0,1|2,0,0]=4 1799 B13R1.18 CCCNC(=O)c1ccnc(n1)C 4beba754f130e022070b4ef21d7b967a [0,1,0,0,0,1|2,0,0]=4 1800 B13R1.18 CCCNC(=O)c1ccnc(n1)Cl 044abb71395719f3dc074467ea0bdc63 [0,1,0,0,0,1|2,0,0]=4 1801 B13R1.18 CCCNC(=O)c1cncc(c1)Br 16843a0090efef9973a6866d50f443f0 [0,1,0,0,0,1|2,0,0]=4 1802 B13R1.18 CCCNC(=O)c1cncc(c1)C 723c0053da9b4890cda6ec3962393237 [0,1,0,0,0,1|2,0,0]=4 1803 B13R1.18 CCCNC(=O)c1cncc(c1)Cl a3701dbf26c0f9f7ea130ff2e73eca69 [0,1,0,0,0,1|2,0,0]=4 1804 B13R1.18 CCCNC(=O)c1cncc(c1)F bc7a53a9068f0599b7851dc810b47bfe [0,1,0,0,0,1|2,0,0]=4 1805 B13R1.18 CCCNC(=O)c1cncc(c1)I e6f0f428b46480055c157b682210cbb7 [0,1,0,0,0,1|2,0,0]=4 1806 B13R1.18 CCCNC(=O)c1cncc(c1)O b0dcb875a197cb777eb01c7b96f4b782 [0,1,0,0,0,1|2,0,0]=4 1807 B13R1.18 CCCNC(=O)c1cncc(n1)Br 4be601e7c9708bc314a3e85dc6ac2afd [0,1,0,0,0,1|2,0,0]=4 1808 B13R1.18 CCCNC(=O)c1cncc(n1)C ced7132a5a81f441dceed48eaf22b27f [0,1,0,0,0,1|2,0,0]=4 1809 B13R1.18 CCCNC(=O)c1cncc(n1)Cl 3cda0b3611e1b2fa82ea6bf1bbda396d [0,1,0,0,0,1|2,0,0]=4 1810 B13R1.18 CCCNC(=O)c1nccc(n1)C 858affbcf9d8544f5f510473b7eff101 [0,1,0,0,0,1|2,0,0]=4 1811 B13R1.18 CCCNC(=O)c1nccc(n1)Cl 6496def35cbb62bf4c3cb09e32a48e0e [0,1,0,0,0,1|2,0,0]=4 1812 B13R1.18 CCOCC(=O)c1cccc(c1)Br 66aab0a35ac87920d77e7f865326515d [0,1,0,0,0,1|2,0,0]=4 1813 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 11b60f81054116e88bc3492616ec0ca0 [0,1,0,0,0,1|2,0,0]=4 1814 B13R1.18 CCOCC(=O)c1cccc(c1)F dffb356728922863b379ecd5899f7d3a [0,1,0,0,0,1|2,0,0]=4 1815 B13R1.18 O=C(NCCBr)c1cc(=O)cco1 b3f45531368521414dfa456263de5ca5 [0,1,0,0,0,1|2,0,0]=4 1816 B13R1.18 O=C(NCCF)c1cc(=O)cco1 2ea5492ad22a32e5c680e6620490b74a [0,1,0,0,0,1|2,0,0]=4 1817 B13R1.18 O=C(NCCI)c1cc(=O)cco1 26cef819948b9016c0fdc1e8d450e4c2 [0,1,0,0,0,1|2,0,0]=4 1818 B13R1.18 O=C(NCCO)c1cc(=O)cco1 2a554c32fad23140d1a2c54330de9d7d [0,1,0,0,0,1|2,0,0]=4 1819 B13R1.18 O=C(NCCS)c1cc(=O)cco1 55304a6743847a2f2b14d478927d3492 [0,1,0,0,0,1|2,0,0]=4 1820 B13R1.24 C=C(CCOCC)c1ccncc1 c104e426a46aa65af3d5d4739dc67073 [0,1,0,0,0,1|2,0,0]=4 1821 B13R1.24 C=C(COCCC)c1ccccc1 f6317ef758d7b96aae38d82e773caa14 [0,1,0,0,0,1|2,0,0]=4 1822 B13R1.24 C=C(COCCC)c1ccccn1 bfdfd1ee190e6966d7dbccec91461a97 [0,1,0,0,0,1|2,0,0]=4 1823 B13R1.24 CCCCNC(=O)C1=CCCCO1 2ecaebe8c7baee7642396fb3bfd918cf [0,1,0,0,0,1|0,0,2]=4 1824 B13R1.24 CCCCNC(=O)C1=CCCOC1 842f7964e14656cdf2cd22d235873380 [0,1,0,0,0,1|0,0,2]=4 1825 B13R1.24 CCCCNC(=O)C1=COCCO1 297cf20e004163578cf67df76642f890 [0,1,0,0,0,1|0,0,2]=4 1826 B13R1.24 CCCCNC(=O)C1CC=CCO1 7e81fd15917bf97b2581540df5b2b646 [0,1,0,0,0,1|0,0,2]=4 1827 B13R1.24 CCCCNC(=O)c1ccccc1 99aac20acff97b38b71835a38991434c [0,1,0,0,0,1|1,0,0]=3 1828 B13R1.24 CCCCNC(=O)c1ccccn1 e2650feea24ca80c17dfb4597476b32e [0,1,0,0,0,1|1,0,0]=3 1829 B13R1.24 CCCCNC(=O)c1cccnc1 28676687860046409f3a17da4b2bf927 [0,1,0,0,0,1|1,0,0]=3 1830 B13R1.24 CCCCNC(=O)c1cccnn1 20671d13c38b461d166b4b3c5601571a [0,1,0,0,0,1|1,0,0]=3 1831 B13R1.24 CCCCNC(=O)c1ccncc1 45bf4079e762a938f4e5aa1e26b0f105 [0,1,0,0,0,1|1,0,0]=3 1832 B13R1.24 CCCCNC(=O)c1ccncn1 9a6afe219495ce65351c2778efb405e6 [0,1,0,0,0,1|1,0,0]=3 1833 B13R1.24 CCCCNC(=O)c1ccnnc1 b491597727ab132b97af8243d662d8da [0,1,0,0,0,1|2,0,0]=4 1834 B13R1.24 CCCCNC(=O)c1cnccn1 2554572218c7a866fd282cf109509ed2 [0,1,0,0,0,1|1,0,0]=3 1835 B13R1.24 CCCCNC(=O)c1cncnc1 5704eb9f730a5c87e9a2997aa176491e [0,1,0,0,0,1|2,0,0]=4 1836 B13R1.24 CCCCNC(=O)c1ncccn1 035039239778cd88b8992366b1f44283 [0,1,0,0,0,1|1,0,0]=3 1837 B13R1.24 CCCNCC(=O)c1ccccc1 48fbf30db6382cb4b2aad3c23f152050 [0,1,0,0,0,1|1,0,0]=3 1838 B13R1.24 CCCNCC(=O)c1ccccn1 b5b83294351e5de62eefe79416e3decf [0,1,0,0,0,1|1,0,0]=3 1839 B13R1.24 CCCNCC(=O)c1cccnc1 c0c7f9b131fa79a55369b395104475a4 [0,1,0,0,0,1|1,0,0]=3 1840 B13R1.24 CCCNCC(=O)c1ccncn1 760e3c4767ba235c27685866e304f057 [0,1,0,0,0,1|1,0,0]=3 1841 B13R1.24 CCCNCC(=O)c1cnccn1 3af6040d822d2ce5966f2093ed8607fb [0,1,0,0,0,1|1,0,0]=3 1842 B13R1.24 CCCOCC(=O)c1ccccc1 fafbf9582888297afc92283765371327 [0,1,0,0,0,1|1,0,0]=3 1843 B13R1.24 CCCOCC(=O)c1ccccn1 1744139d5574e9d85a93e82b301f11fe [0,1,0,0,0,1|1,0,0]=3 1844 B13R1.24 CCCOCC(=O)c1cccnc1 1941e357d32a8b76ad3c8c1776642a0f [0,1,0,0,0,1|1,0,0]=3 1845 B13R1.24 CCCOCC(=O)c1ccncn1 28befb1769f78a529845c220137c2161 [0,1,0,0,0,1|1,0,0]=3 1846 B13R1.24 CCCOCC(=O)c1cnccn1 f1664dd670cfb982a517863580aa8e1f [0,1,0,0,0,1|1,0,0]=3 1847 B13R1.24 CCOCCC(=O)c1ccccc1 a6e0d6be21888dbba948192f59c92561 [0,1,0,0,0,1|1,0,0]=3 1848 B13R1.24 CCOCCS(=O)c1ccccc1 9a9b7f91a079702892d7981c8f731eba [0,1,0,0,0,1|2,0,0]=4 1849 B13R1.24 CCOCNC(=O)c1ccccc1 ccf2c03b54c5f75f969a54da2fc3c152 [0,1,0,0,0,1|2,0,0]=4 1850 B13R1.24 CCOCNC(=O)c1cccnc1 86c896ffcc3b435bf6600414263c8c72 [0,1,0,0,0,1|2,0,0]=4 1851 B13R1.24 COCCNC(=O)c1ccccc1 b8bdb69f469dbcccd4aebf3e52009e23 [0,1,0,0,0,1|2,0,0]=4 1852 B13R1.24 COCCNC(=O)c1ccccn1 71dce32a99bc1ed7bfc479a764a118c0 [0,1,0,0,0,1|2,0,0]=4 1853 B13R1.24 COCCNC(=O)c1cccnc1 a2f9cb310c0add7a547dc84190f0127f [0,1,0,0,0,1|2,0,0]=4 1854 B13R1.24 COCCNC(=O)c1cccnn1 59c9aff0ac2c41dfdfe1734675c994d4 [0,1,0,0,0,1|2,0,0]=4 1855 B13R1.24 COCCNC(=O)c1ccncc1 cb08073438c2bbec00576a4331da06e3 [0,1,0,0,0,1|2,0,0]=4 1856 B13R1.24 COCCNC(=O)c1ccncn1 f5937e25407deead34ddc07abe953f2c [0,1,0,0,0,1|2,0,0]=4 1857 B13R1.24 COCCNC(=O)c1cnccn1 5205429acfd84a180889b454d230c04e [0,1,0,0,0,1|2,0,0]=4 1858 B13R1.24 COCCNC(=O)c1ncccn1 56dab15fe64c32f73fc07c29acdf5a9e [0,1,0,0,0,1|2,0,0]=4 1859 B13R1.24 COCNCC(=O)c1ccccc1 44f961dc30cf452e9f5fa4660d0a10ec [0,1,0,0,0,1|2,0,0]=4 1860 B13R1.24 COCOCC(=O)c1ccccc1 83c820df9692b3b1dbdce14eae5f0594 [0,1,0,0,0,1|2,0,0]=4 1861 B13R1.24 COCOCC(=O)c1ccccn1 7d5f1cae4c0969f0d18d551fa0f6c85b [0,1,0,0,0,1|2,0,0]=4 1862 B13R1.24 COCOCC(=O)c1cccnc1 72905aed124ab5aff6e1833922306925 [0,1,0,0,0,1|2,0,0]=4 1863 B13R1.24 COCOCC(=O)c1ccncn1 988fdffa80c9dba3053372fc8a016fbe [0,1,0,0,0,1|2,0,0]=4 1864 B13R1.24 COCOCC(=O)c1cnccn1 ad6565c41cc91def2d69379645153cc7 [0,1,0,0,0,1|2,0,0]=4 1865 B13R1.24 CSCCNC(=O)c1ccccc1 6500472e8f8e4c41049bdb6932e83240 [0,1,0,0,0,1|2,0,0]=4 1866 B13R1.24 CSCCNC(=O)c1ccccn1 664d6a119038593884e34213a1f20c6d [0,1,0,0,0,1|2,0,0]=4 1867 B13R1.24 CSCCNC(=O)c1cccnc1 052befa0306b405ce736227c046df0d7 [0,1,0,0,0,1|2,0,0]=4 1868 B13R1.24 CSCCNC(=O)c1cccnn1 680a563d4a1e186718fd921c66bdc676 [0,1,0,0,0,1|2,0,0]=4 1869 B13R1.24 CSCCNC(=O)c1ccncc1 d28f9ec4256bb78359a3f0516d1f63d2 [0,1,0,0,0,1|2,0,0]=4 1870 B13R1.24 CSCCNC(=O)c1ccncn1 1ae8bb1dd53e463112f1699cfafdc8d0 [0,1,0,0,0,1|2,0,0]=4 1871 B13R1.24 CSCCNC(=O)c1cnccn1 6eb5923cdd581c8139ebbad9b721362b [0,1,0,0,0,1|2,0,0]=4 1872 B13R1.24 CSCCNC(=O)c1ncccn1 ce620829a121e34c41edec9a20f7b0db [0,1,0,0,0,1|2,0,0]=4 1873 B13R1.24 CSCNCC(=O)c1ccccc1 aeb61a1bfc7cddd521fa2ae019334296 [0,1,0,0,0,1|2,0,0]=4 1874 B13R1.24 CSCOCC(=O)c1ccccc1 40a97e0dcc8b2710695a7d10950b8d18 [0,1,0,0,0,1|2,0,0]=4 1875 B13R1.24 CSCOCC(=O)c1ccccn1 2f0413109a6a6e3989881c54c0a0664a [0,1,0,0,0,1|2,0,0]=4 1876 B13R1.24 CSCOCC(=O)c1cccnc1 50586accd52b6449d68c1302570228e7 [0,1,0,0,0,1|2,0,0]=4 1877 B13R1.24 O=C(CCOCF)c1ccccc1 1237eef9c45ef06dfd3da7be481e3a9e [0,1,0,0,0,1|2,0,0]=4 1878 B13R1.24 O=C(CNCCBr)c1ccccc1 a38f41f3a5ae52e734c810a3a9bf5d32 [0,1,0,0,0,1|2,0,0]=4 1879 B13R1.24 O=C(CNCCBr)c1ccccn1 e0e1b35b315dcde2321e7fc030e26f5e [0,1,0,0,0,1|2,0,0]=4 1880 B13R1.24 O=C(CNCCBr)c1cccnc1 20c228bdadf6f6987c9f5c67ce74cfaf [0,1,0,0,0,1|2,0,0]=4 1881 B13R1.24 O=C(CNCCBr)c1ccncn1 15ebc10b1192b05b48b8f00825963456 [0,1,0,0,0,1|2,0,0]=4 1882 B13R1.24 O=C(CNCCBr)c1cnccn1 01ee92801489769d05a647a920004d2d [0,1,0,0,0,1|2,0,0]=4 1883 B13R1.24 O=C(CNCCF)c1ccccc1 214fd0f4f5e525f079604687428b491e [0,1,0,0,0,1|2,0,0]=4 1884 B13R1.24 O=C(CNCCF)c1ccccn1 3957001fb94a0b57d16e09fd88c05ea3 [0,1,0,0,0,1|2,0,0]=4 1885 B13R1.24 O=C(CNCCF)c1cccnc1 57a8f133c6423d3dd3aa691d37e3e9aa [0,1,0,0,0,1|2,0,0]=4 1886 B13R1.24 O=C(CNCCF)c1ccncn1 8b8f9dd8375ea8acc90697fb2819199a [0,1,0,0,0,1|2,0,0]=4 1887 B13R1.24 O=C(CNCCF)c1cnccn1 bfcf87b1db942b2059029e4ba9f7d6e8 [0,1,0,0,0,1|2,0,0]=4 1888 B13R1.24 O=C(CNCCI)c1ccccc1 a71d041a3a395aaa7ce8e61c655578b7 [0,1,0,0,0,1|2,0,0]=4 1889 B13R1.24 O=C(CNCCI)c1ccccn1 26ab07659f210f89840d59aecac9aad6 [0,1,0,0,0,1|2,0,0]=4 1890 B13R1.24 O=C(CNCCI)c1cccnc1 136a2047737931f3b853f0ebca1cbecc [0,1,0,0,0,1|2,0,0]=4 1891 B13R1.24 O=C(CNCCI)c1ccncn1 8e338d170163cdff0c46fff24efdd1d1 [0,1,0,0,0,1|2,0,0]=4 1892 B13R1.24 O=C(CNCCI)c1cnccn1 9cb1cde2f25434c833673fb0c8fd396f [0,1,0,0,0,1|2,0,0]=4 1893 B13R1.24 O=C(CNCCO)c1ccccc1 60fc64e7dfba65baef92157ef0478d91 [0,1,0,0,0,1|2,0,0]=4 1894 B13R1.24 O=C(CNCCO)c1ccccn1 60855de0200401f14660a6037705cb80 [0,1,0,0,0,1|2,0,0]=4 1895 B13R1.24 O=C(CNCCO)c1cccnc1 1020fadcc2dc2a1fd0dd3f3a59004ffb [0,1,0,0,0,1|2,0,0]=4 1896 B13R1.24 O=C(CNCCO)c1ccncn1 8a999707f8e91237ddeb47430e3f746e [0,1,0,0,0,1|2,0,0]=4 1897 B13R1.24 O=C(CNCCO)c1cnccn1 a8c5dc5dad9d890f8b5d1866c287f8f5 [0,1,0,0,0,1|2,0,0]=4 1898 B13R1.24 O=C(CNCCS)c1ccccc1 398abb5acd94e59165e73ac1f020a734 [0,1,0,0,0,1|2,0,0]=4 1899 B13R1.24 O=C(CNCCS)c1ccccn1 cf510bd2c6131c735929a7588c89c504 [0,1,0,0,0,1|2,0,0]=4 1900 B13R1.24 O=C(CNCCS)c1cccnc1 87500e7066cb2672abf5c0ff2ed5d2d3 [0,1,0,0,0,1|2,0,0]=4 1901 B13R1.24 O=C(CNCCS)c1ccncn1 4474c8726b36b797cf30c8355669d098 [0,1,0,0,0,1|2,0,0]=4 1902 B13R1.24 O=C(CNCCS)c1cnccn1 75e8021b047fe2a7d997877c7f59b493 [0,1,0,0,0,1|2,0,0]=4 1903 B13R1.24 O=C(COCCF)c1ccccc1 0379d66e9d5f5e002a51f8fcce067389 [0,1,0,0,0,1|2,0,0]=4 1904 B13R1.24 O=C(COCCF)c1ccccn1 eb9e3acd489528842648cd61a8472704 [0,1,0,0,0,1|2,0,0]=4 1905 B13R1.24 O=C(COCCF)c1cccnc1 5c83fa6b9eeaa9bd14fecf4ed092d707 [0,1,0,0,0,1|2,0,0]=4 1906 B13R1.24 O=C(COCCF)c1ccncn1 4f780eae719502da158557deb2d49fed [0,1,0,0,0,1|2,0,0]=4 1907 B13R1.24 O=C(COCCF)c1cnccn1 b56fcdda61163eeae5d29b9e0cecfb24 [0,1,0,0,0,1|2,0,0]=4 1908 B13R1.24 O=C(COCCS)c1ccccc1 638c6bad091c24d29f577840210c801b [0,1,0,0,0,1|2,0,0]=4 1909 B13R1.24 O=C(COCCS)c1ccccn1 7842bae49b523e63c9cf780c12435547 [0,1,0,0,0,1|2,0,0]=4 1910 B13R1.24 O=C(COCCS)c1cccnc1 dd2cfff11060e80a12845accddfd7d09 [0,1,0,0,0,1|2,0,0]=4 1911 B13R1.24 O=C(COCCS)c1ccncn1 da32eefa1f3b0738ef1c6ec07d526249 [0,1,0,0,0,1|2,0,0]=4 1912 B13R1.24 O=C(COCCS)c1cnccn1 7e0b3b6d0a3af44f799b865e97902d7f [0,1,0,0,0,1|2,0,0]=4 1913 B13R1.24 O=C(NCCCCl)c1ccccc1 d04c1f75bc42d25a9f1002447a634bc8 [0,1,0,0,0,1|2,0,0]=4 1914 B13R1.24 O=C(NCCCCl)c1ccccn1 7ba68c4976998f1fc38d3d04e9be8231 [0,1,0,0,0,1|2,0,0]=4 1915 B13R1.24 O=C(NCCCCl)c1cccnc1 2fee80233ae9d1090fcda45455c64f11 [0,1,0,0,0,1|2,0,0]=4 1916 B13R1.24 O=C(NCCCCl)c1cccnn1 85e226cfa302ce8edb2651e38dde7b7e [0,1,0,0,0,1|2,0,0]=4 1917 B13R1.24 O=C(NCCCCl)c1ccncc1 34a9e3cb9c6e6028501485979a342b6f [0,1,0,0,0,1|2,0,0]=4 1918 B13R1.24 O=C(NCCCCl)c1ccncn1 31d1d45c9642d074671871251d28d389 [0,1,0,0,0,1|2,0,0]=4 1919 B13R1.24 O=C(NCCCCl)c1cnccn1 c62db1d429c7582ad30597f8f2d0fa93 [0,1,0,0,0,1|2,0,0]=4 1920 B13R1.24 O=C(NCCCCl)c1ncccn1 2dd9949bd24969653eac8ba41c0d36a4 [0,1,0,0,0,1|2,0,0]=4 1921 B13R1.24 O=C(NCCCO)c1ccccc1 f6ee9332b3ae90eb49159f9f34e99516 [0,1,0,0,0,1|2,0,0]=4 1922 B13R1.24 O=C(NCCCO)c1ccccn1 0c4114e0a2b3f9b1513b7dedd480325c [0,1,0,0,0,1|2,0,0]=4 1923 B13R1.24 O=C(NCCCO)c1cccnc1 24fcb5e1ed28c9da33f23773cf322bd2 [0,1,0,0,0,1|2,0,0]=4 1924 B13R1.24 O=C(NCCCO)c1cccnn1 a359635dae66bcbf851d55e3c4d7160f [0,1,0,0,0,1|2,0,0]=4 1925 B13R1.24 O=C(NCCCO)c1ccncc1 2b055dc71b74090ea0d8c579dff68503 [0,1,0,0,0,1|2,0,0]=4 1926 B13R1.24 O=C(NCCCO)c1ccncn1 da8156d07cc96ab75541b31e29cc80dc [0,1,0,0,0,1|2,0,0]=4 1927 B13R1.24 O=C(NCCCO)c1cnccn1 514f712a2a2f78742e14c604eb7a6fa5 [0,1,0,0,0,1|2,0,0]=4 1928 B13R1.24 O=C(NCCCO)c1ncccn1 5e7c191c7159b5efa4a0439a0730f783 [0,1,0,0,0,1|2,0,0]=4 1929 B13R1.26 CCCCN(C=O)c1ccccc1 3f4748206aeba81d0167a4b2cec011f1 [0,1,0,0,0,1|2,0,0]=4 1930 B13R1.45 CC(C)CNC(=O)c1ccccc1 e24d07508e1f4c32ab6066e627a71e08 [0,1,0,0,0,1|2,0,0]=4 1931 B13R1.45 CC(C)CNC(=O)c1ccccn1 627ac570d4ba0e558d4fdfedf4d085a5 [0,1,0,0,0,1|2,0,0]=4 1932 B13R1.45 CC(C)CNC(=O)c1cccnc1 312208435fd80eb75f2328e803c7bd07 [0,1,0,0,0,1|2,0,0]=4 1933 B13R1.45 CC(C)CNC(=O)c1cccnn1 00cb7850aed24c68f2281bc8d3d65857 [0,1,0,0,0,1|2,0,0]=4 1934 B13R1.45 CC(C)CNC(=O)c1ccncc1 9e7ab58f6e8866279e951fcacce6e05c [0,1,0,0,0,1|2,0,0]=4 1935 B13R1.45 CC(C)CNC(=O)c1ccncn1 165afde0a7b56e396fc4015a91cd6552 [0,1,0,0,0,1|2,0,0]=4 1936 B13R1.45 CC(C)CNC(=O)c1cnccn1 cf0ca4cfa87e4309f7f8fb8ecaf00ba5 [0,1,0,0,0,1|2,0,0]=4 1937 B13R1.45 CC(C)CNC(=O)c1ncccn1 aa32d8041f09cc1b1f3ee63281884f92 [0,1,0,0,0,1|2,0,0]=4 1938 B13R1.45 CC(C)NCC(=O)c1ccccc1 e4ded4d81dacb28522b7b23f367a5817 [0,1,0,0,0,1|2,0,0]=4 1939 B13R1.45 CC(C)OCC(=O)c1ccccc1 1a2559ca9ca27a395e5d70680cd4fdb5 [0,1,0,0,0,1|2,0,0]=4 1940 B13R1.45 CC(C)OCC(=O)c1ccccn1 74c26af87c69a072f7a6a2c687982025 [0,1,0,0,0,1|2,0,0]=4 1941 B13R1.45 CC(C)OCC(=O)c1cccnc1 0080a2f5f82fd5e496a79b4b736ebcd2 [0,1,0,0,0,1|2,0,0]=4 1942 B13R1.45 CC(C)OCC(=O)c1ccncn1 8aad9c368dd3077efe3d7906e599ebdc [0,1,0,0,0,1|2,0,0]=4 1943 B13R1.45 CC(C)OCC(=O)c1cnccn1 b3b819808a11f4bbf7f06e6e067f682f [0,1,0,0,0,1|2,0,0]=4 1944 B13R1.45 CC(O)CNC(=O)c1ccccc1 59dfb517b08db2cf84f86f45a76faf2d [0,1,0,0,0,1|2,0,0]=4 1945 B13R1.45 CC(O)CNC(=O)c1ccccn1 f8123eccef02603d277cf8a0b8b2f312 [0,1,0,0,0,1|2,0,0]=4 1946 B13R1.45 CC(O)CNC(=O)c1cccnc1 9438b88e1e84f80390cf5f817c5bc03f [0,1,0,0,0,1|2,0,0]=4 1947 B13R1.45 CC(O)CNC(=O)c1cccnn1 05a100d202053816e07ebc544d6da125 [0,1,0,0,0,1|2,0,0]=4 1948 B13R1.45 CC(O)CNC(=O)c1ccncc1 3ecb6a22d2c17269ff3eb94e73a100fe [0,1,0,0,0,1|2,0,0]=4 1949 B13R1.45 CC(O)CNC(=O)c1ccncn1 2e817b563ea48a816e1415c97286eebe [0,1,0,0,0,1|2,0,0]=4 1950 B13R1.45 CC(O)CNC(=O)c1cnccn1 acaa143796c8dca94ec61c75025228ac [0,1,0,0,0,1|2,0,0]=4 1951 B13R1.45 CC(O)CNC(=O)c1ncccn1 4dcbaa5ffc0cde1d91f946920743958b [0,1,0,0,0,1|2,0,0]=4 1952 B13R1.45 C[C@@H](O)CNC(=O)c1ccccc1 58658cc6384a558b469db82070a6d0b9 [0,1,0,0,0,1|2,0,0]=4 1953 B13R1.45 C[C@@H](O)CNC(=O)c1ccccn1 680b684ff3760aefb6e8965f481f2328 [0,1,0,0,0,1|2,0,0]=4 1954 B13R1.45 C[C@@H](O)CNC(=O)c1cccnc1 99e7c20d59b7374dc290dea06fdfe6b6 [0,1,0,0,0,1|2,0,0]=4 1955 B13R1.45 C[C@@H](O)CNC(=O)c1cccnn1 4c16f088d0ba985428e2108696d23afa [0,1,0,0,0,1|2,0,0]=4 1956 B13R1.45 C[C@@H](O)CNC(=O)c1ccncc1 f7a888c6424189852c55ae9ef85c3960 [0,1,0,0,0,1|2,0,0]=4 1957 B13R1.45 C[C@@H](O)CNC(=O)c1ccncn1 b9746c3d94b0aa59d9a2ff99bd0f08c8 [0,1,0,0,0,1|2,0,0]=4 1958 B13R1.45 C[C@@H](O)CNC(=O)c1cnccn1 8deda059553b4b009ff5bdbca3a4a905 [0,1,0,0,0,1|2,0,0]=4 1959 B13R1.45 C[C@@H](O)CNC(=O)c1ncccn1 4da7c37e94410dd7c66572b3bc71c5bd [0,1,0,0,0,1|2,0,0]=4 1960 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 df4e2d9b61843b0cec186f242ac9a4b7 [0,1,0,0,0,1|2,0,0]=4 1961 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 307f363213be1a66d9dcc7c1afe64983 [0,1,0,0,0,1|2,0,0]=4 1962 B13R1.45 C[C@H](O)CNC(=O)c1cccnc1 e8b982e52d18f073856d9321fe1bab81 [0,1,0,0,0,1|2,0,0]=4 1963 B13R1.45 C[C@H](O)CNC(=O)c1cccnn1 530f2eeaea626f5c2fdae7688bb5b0d0 [0,1,0,0,0,1|2,0,0]=4 1964 B13R1.45 C[C@H](O)CNC(=O)c1ccncc1 db246af33f86f60c7e6a0d0cb86ecf99 [0,1,0,0,0,1|2,0,0]=4 1965 B13R1.45 C[C@H](O)CNC(=O)c1ccncn1 1f4619a8fd776320f4a0e47778323fa1 [0,1,0,0,0,1|2,0,0]=4 1966 B13R1.45 C[C@H](O)CNC(=O)c1cnccn1 3a00020936e3c063ad7f454c22417958 [0,1,0,0,0,1|2,0,0]=4 1967 B13R1.45 C[C@H](O)CNC(=O)c1ncccn1 ec399772ebd481f1a98f94db615555ae [0,1,0,0,0,1|2,0,0]=4 1968 B13R1.47 CCCN(C)C(=O)c1ccccc1 2a4d4bc9cc3eb810d7fa78a385f499e8 [0,1,0,0,0,1|2,0,0]=4 1969 B13R1.47 CCCN(C)C(=O)c1ccccn1 3dcd8b251b461cbafb203a08e455a01f [0,1,0,0,0,1|2,0,0]=4 1970 B13R1.47 CCCN(C)C(=O)c1cccnc1 60c9ef2792edc8605efb2cf087b437f0 [0,1,0,0,0,1|2,0,0]=4 1971 B13R1.47 CCCN(C)C(=O)c1cccnn1 d2ea23dd8f8a80a66f3141ccf6a20bc4 [0,1,0,0,0,1|2,0,0]=4 1972 B13R1.47 CCCN(C)C(=O)c1ccncc1 b157af846aaaa6e6767ba1d2fc58e817 [0,1,0,0,0,1|2,0,0]=4 1973 B13R1.47 CCCN(C)C(=O)c1ccncn1 b36c63ca8e5deecc54bee98b41705279 [0,1,0,0,0,1|2,0,0]=4 1974 B13R1.47 CCCN(C)C(=O)c1cnccn1 3c538ac84615afcca99818ecf0868c6a [0,1,0,0,0,1|2,0,0]=4 1975 B13R1.47 CCCN(C)C(=O)c1ncccn1 3b51cdfb758cd5943f16e8cf9bca91b0 [0,1,0,0,0,1|2,0,0]=4 1976 B13R1.674 CCCNC(=O)c1cccc[n+]1[O-] 28b382119e27187795efe60d7f130c1e [0,1,0,0,0,1|2,0,0]=4 1977 B13R1.674 CCCNC(=O)c1ccccc1Br 722cf16c49797fba8a5ebe3bff34b2f2 [0,1,0,0,0,1|2,0,0]=4 1978 B13R1.674 CCCNC(=O)c1ccccc1C 911ba89530acccf307e26f44fccb3b6b [0,1,0,0,0,1|2,0,0]=4 1979 B13R1.674 CCCNC(=O)c1ccccc1Cl 66d6820f4ae66ec3373e4cbe19777568 [0,1,0,0,0,1|2,0,0]=4 1980 B13R1.674 CCCNC(=O)c1ccccc1F d37ac899bbc342532d59183c70f3e3c6 [0,1,0,0,0,1|2,0,0]=4 1981 B13R1.674 CCCNC(=O)c1ccccc1I 3e53e44cae2579752a42acd7d0d07f0a [0,1,0,0,0,1|2,0,0]=4 1982 B13R1.674 CCCNC(=O)c1ccccc1O 1e2065c39ead10fec2e9ebb7da9f2807 [0,1,0,0,0,1|2,0,0]=4 1983 B13R1.674 CCCNC(=O)c1ccccc1S f17993066a96fbdb40dc604a72d25481 [0,1,0,0,0,1|2,0,0]=4 1984 B13R1.674 CCCNC(=O)c1cccnc1Br 48c6635ab65cdf6c41b3b8dc5fc06ff9 [0,1,0,0,0,1|2,0,0]=4 1985 B13R1.674 CCCNC(=O)c1cccnc1C 9ff39314a14d1fdb59ffc045d64756c0 [0,1,0,0,0,1|2,0,0]=4 1986 B13R1.674 CCCNC(=O)c1cccnc1Cl cb1907e8b6712bd4971f94cc97039475 [0,1,0,0,0,1|2,0,0]=4 1987 B13R1.674 CCCNC(=O)c1cccnc1F 79b89f344492a67ba250c3954834f090 [0,1,0,0,0,1|2,0,0]=4 1988 B13R1.674 CCCNC(=O)c1cccnc1I 1148fcf80e58f1174525a899c53ed2d6 [0,1,0,0,0,1|2,0,0]=4 1989 B13R1.674 CCCNC(=O)c1cccnc1O 1d4ba8a1782e4d2a54f6ced16c21a4db [0,1,0,0,0,1|2,0,0]=4 1990 B13R1.674 CCCNC(=O)c1cccnc1S 0d96ca534f36cb91bfdb191ced9ea4ea [0,1,0,0,0,1|2,0,0]=4 1991 B13R1.674 CCCNC(=O)c1ccncc1Br 39b7b80afac436177bd33c57e0f52691 [0,1,0,0,0,1|2,0,0]=4 1992 B13R1.674 CCCNC(=O)c1ccncc1C 9e6e10402990c5b0ac008a6be6714def [0,1,0,0,0,1|2,0,0]=4 1993 B13R1.674 CCCNC(=O)c1ccncc1Cl 9fb65ef4283fae178462a088338d6acf [0,1,0,0,0,1|2,0,0]=4 1994 B13R1.674 CCCNC(=O)c1ccncc1F 6438c021ba6748c0c905257645847eef [0,1,0,0,0,1|2,0,0]=4 1995 B13R1.674 CCCNC(=O)c1ccncc1I 07e274acc3663de468fe852b202176e1 [0,1,0,0,0,1|2,0,0]=4 1996 B13R1.674 CCCNC(=O)c1ccncc1O 566f9cd51432bb7d7d8c3a50566bd23a [0,1,0,0,0,1|2,0,0]=4 1997 B13R1.674 CCCNC(=O)c1cnccc1Br 0cb6203f9d32c398eb9004f5bdac4cea [0,1,0,0,0,1|2,0,0]=4 1998 B13R1.674 CCCNC(=O)c1cnccc1C ba9a0f228d96bbf24f363758690628a6 [0,1,0,0,0,1|2,0,0]=4 1999 B13R1.674 CCCNC(=O)c1cnccc1Cl f19bc3b41f240195be85b7277a2794c2 [0,1,0,0,0,1|2,0,0]=4 2000 B13R1.674 CCCNC(=O)c1cnccc1F 4fedf3c3cc84ade3473e2a37c901f271 [0,1,0,0,0,1|2,0,0]=4 2001 B13R1.674 CCCNC(=O)c1cnccc1O c878ed4414ce3c34909ccd13e29f9765 [0,1,0,0,0,1|2,0,0]=4 2002 B13R1.674 CCCNC(=O)c1ncccc1Br e8d4c63769fc07fceacd43071ca8f8a8 [0,1,0,0,0,1|2,0,0]=4 2003 B13R1.674 CCCNC(=O)c1ncccc1C bacc0f64f25f3d36482cf9d3b3885d96 [0,1,0,0,0,1|2,0,0]=4 2004 B13R1.674 CCCNC(=O)c1ncccc1Cl dc3688ee8e0f46748f3cd7c51ab21088 [0,1,0,0,0,1|2,0,0]=4 2005 B13R1.674 CCCNC(=O)c1ncccc1F b3df00c386674725ec088295e2c6b2bc [0,1,0,0,0,1|2,0,0]=4 2006 B13R1.674 CCCNC(=O)c1ncccc1I 17f4509918bbeed225c19550fad18958 [0,1,0,0,0,1|2,0,0]=4 2007 B13R1.674 CCCNC(=O)c1ncccc1O f9a00bd1d7e44eb90343ead7e8586729 [0,1,0,0,0,1|2,0,0]=4 2008 B13R1.674 CCCNC(=O)c1nccnc1Br 81e379f9c1f39cbf5b8f71c3685152be [0,1,0,0,0,1|2,0,0]=4 2009 B13R1.674 CCCNC(=O)c1nccnc1C 4db9325baa4221ef388f365588435ab4 [0,1,0,0,0,1|2,0,0]=4 2010 B13R1.674 CCCNC(=O)c1nccnc1Cl b39256c69f0baaf0622e96982b37d9a9 [0,1,0,0,0,1|2,0,0]=4 2011 B13R1.674 CCCNC(=O)c1nccnc1F 7d262de62367a4b9b88488b01dd06a56 [0,1,0,0,0,1|2,0,0]=4 2012 B13R1.674 CCCNC(=O)c1nccnc1I 15ed4093f4f247cfb1f7c849cbf050ae [0,1,0,0,0,1|2,0,0]=4 2013 B13R1.674 CCCNC(=O)c1nccnc1O 4058c3781990bab7e607ee95855fcf47 [0,1,0,0,0,1|2,0,0]=4 2014 B13R1.674 CCCNC(=O)c1ncncc1Br f1a2ed65c9c8716c97b7675be7f0b5cb [0,1,0,0,0,1|2,0,0]=4 2015 B13R1.674 CCCNC(=O)c1ncncc1C 0626914413018fee5bfc446dcd1014b8 [0,1,0,0,0,1|2,0,0]=4 2016 B13R1.674 CCCNC(=O)c1ncncc1Cl 39d33cec85d4a64d2d29f0050d156990 [0,1,0,0,0,1|2,0,0]=4 2017 B13R1.674 CCCNC(=O)c1ncncc1F 2b4dafd23f9f36248a214f5128806f04 [0,1,0,0,0,1|2,0,0]=4 2018 B13R1.674 CCCNC(=O)c1nnccc1C 3d13af0e0c8ba3df479119b165736c58 [0,1,0,0,0,1|2,0,0]=4 2019 B13R1.674 CCOCC(=O)c1ccccc1Cl e06a4c6336c573c4a6832b05d36d3a2c [0,1,0,0,0,1|2,0,0]=4 2020 B13R1.674 CCOCC(=O)c1ccccc1F 89c8a32ac88efac7c0bb910bc46a162a [0,1,0,0,0,1|2,0,0]=4 2021 B13R1.43 CCCCC(=O)Nc1cc(no1)C 94e7d51a200e2f71d677982df0c67750 [0,1,0,0,0,1|1,0,0]=3 2022 B13R1.43 CCCCC(=O)Nc1cc(ns1)C 3c95474aaaba86d5b0bd2cde6205c498 [0,1,0,0,0,1|1,1,0]=4 2023 B13R1.43 CCCCC(=O)Nc1cc(on1)C 6f5b52773f7090e646dcfbf51f992aa5 [0,1,0,0,0,1|2,0,0]=4 2024 B13R1.43 CCCCC(=O)Nc1cc(sn1)Br 14a4c631775dc5878d693c3c4ca0f06e [0,1,0,0,0,1|2,0,0]=4 2025 B13R1.43 CCCCC(=O)Nc1ccc(s1)Br 5b6e5fa51a12594cd8a554f04f7e2cf6 [0,1,0,0,0,1|0,1,0]=3 2026 B13R1.43 CCCCC(=O)Nc1ccc(s1)C ce5949562d1d5ba7da6516978e12e227 [0,1,0,0,0,1|0,1,0]=3 2027 B13R1.43 CCCCC(=O)Nc1ccn(n1)C de4e844c2948f53851482ac060cd1ffa [0,1,0,0,0,1|2,0,0]=4 2028 B13R1.43 CCCCC(=O)Nc1cn(cn1)C 94669baf3f87fad5cd69649ee23d5660 [0,1,0,0,0,1|2,0,0]=4 2029 B13R1.43 CCCCC(=O)Nc1cnc(o1)C ce3ed142afc0ca277687e4e3c64a52f0 [0,1,0,0,0,1|1,0,0]=3 2030 B13R1.43 CCCCC(=O)Nc1cnc(s1)Br e0fe71890e8c0eb309b321aaa6cb67d9 [0,1,0,0,0,1|1,1,0]=4 2031 B13R1.43 CCCCC(=O)Nc1cnc(s1)C 680719636d2d2438265e6d3acdfbdfed [0,1,0,0,0,1|1,1,0]=4 2032 B13R1.43 CCCCC(=O)Nc1cnc(s1)S 036a611d362542fc51442d69c309f843 [0,1,0,0,0,1|1,1,0]=4 2033 B13R1.43 CCCCC(=O)Nc1csc(n1)Br 387eaec2335039fc02a207e5225dc266 [0,1,0,0,0,1|2,0,0]=4 2034 B13R1.43 CCCCC(=O)Nc1nc(co1)Br df009b958782cce96c9e1641b53d66ae [0,1,0,0,0,1|1,0,0]=3 2035 B13R1.43 CCCCC(=O)Nc1nc(co1)C 5416c53963997d92b0626aae1243dd14 [0,1,0,0,0,1|1,0,0]=3 2036 B13R1.43 CCCCC(=O)Nc1nc(cs1)Br 4568182b2744688206f7e33be1461f2e [0,1,0,0,0,1|1,1,0]=4 2037 B13R1.43 CCCCC(=O)Nc1nc(cs1)C 410d83950b982eac3b96189b66cb086a [0,1,0,0,0,1|1,1,0]=4 2038 B13R1.43 CCCCC(=O)Nc1nc(cs1)Cl 13ae69c2317e7d87c6f4851b7a086fdb [0,1,0,0,0,1|1,1,0]=4 2039 B13R1.43 CCCCC(=O)Nc1nc(cs1)O d488ddd17365ca4883a18608fcd4cf73 [0,1,0,0,0,1|1,1,0]=4 2040 B13R1.43 CCCCC(=O)Nc1ncc(o1)C 4968b6521bd0deb790baef9b900cc3be [0,1,0,0,0,1|1,0,0]=3 2041 B13R1.43 CCCCC(=O)Nc1ncc(s1)C 3f0f4b72a2fe5ff586bc1c9cee90b421 [0,1,0,0,0,1|1,1,0]=4 2042 B13R1.43 CCCCC(=O)Nc1ncc(s1)Cl 1eef0dfda41749b53978ec546733d325 [0,1,0,0,0,1|1,1,0]=4 2043 B13R1.43 CCCCC(=O)Nc1ncc(s1)F 816d31e0991b6d7773126235d62fa8ed [0,1,0,0,0,1|1,1,0]=4 2044 B13R1.43 CCCCC(=O)Nc1ncc(s1)S 8e7a5b7bfafd2f2b3e3a2cef57730d32 [0,1,0,0,0,1|1,1,0]=4 2045 B13R1.43 CCCCC(=O)Nc1nnc(o1)Br 78d27adad827a810a81b467e7d0ac5d3 [0,1,0,0,0,1|2,0,0]=4 2046 B13R1.43 CCCCC(=O)Nc1nnc(o1)C a4f725632f14b98a0b816bafc92e2198 [0,1,0,0,0,1|2,0,0]=4 2047 B13R1.43 CCCCN(C)Cc1ccc(o1)C 7d8529127d35da6a254a32a98a07fa36 [0,1,0,0,0,1|2,0,0]=4 2048 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br ecfbd40f555671eada7732028b089646 [0,1,0,0,0,1|1,1,0]=4 2049 B13R1.43 CCCNC(=O)Cc1cc(no1)Br 1073d48b05328c8f956e5370772c39fd [0,1,0,0,0,1|2,0,0]=4 2050 B13R1.43 CCCNC(=O)Cc1cc(no1)C 5b0ee0af8aea8cf71b2fc1af3cb48ff6 [0,1,0,0,0,1|2,0,0]=4 2051 B13R1.43 CCCNC(=O)Cc1ccc(o1)C 3e39cb3cbd2b1dfdd95c74e12caa22e0 [0,1,0,0,0,1|1,0,0]=3 2052 B13R1.43 CCCNC(=O)Cc1ccc(s1)Br 43104b26a275f2fb716495b43218d6e2 [0,1,0,0,0,1|1,1,0]=4 2053 B13R1.43 CCCNC(=O)Cc1ccc(s1)C 0576ecc9c790bcc00218b049ca04dfd8 [0,1,0,0,0,1|1,1,0]=4 2054 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl de70595dd6abefaa09ed3280fddcafa2 [0,1,0,0,0,1|1,1,0]=4 2055 B13R1.43 CCCNC(=O)Cc1ncc(o1)C ad4d68b4e414a174c95040ee99dc1212 [0,1,0,0,0,1|2,0,0]=4 2056 B13R1.43 CCCNC(=O)Nc1cc(=O)[nH]o1 f946ef143f48e6666ea33dd6878a07b1 [0,1,0,0,0,1|2,0,0]=4 2057 B13R1.43 CCOCC(=O)Nc1cc(no1)C 95821fab71cdc4b4ec93dba31a9cc0c2 [0,1,0,0,0,1|2,0,0]=4 2058 B13R1.43 CCOCC(=O)Nc1ccc(s1)Br 0d209eb7cdb75d8c513d0b98f6cc8005 [0,1,0,0,0,1|1,1,0]=4 2059 B13R1.43 CCOCC(=O)Nc1ccc(s1)C 0fe2fb92d3c0c898d780e31877d6d9ad [0,1,0,0,0,1|1,1,0]=4 2060 B13R1.43 CCOCC(=O)Nc1cnc(o1)C 8547edb0c68e25123182535bf4cd4256 [0,1,0,0,0,1|2,0,0]=4 2061 B13R1.43 CCOCC(=O)Nc1nc(co1)Br b56a18117eb021d478076171a75cc9d6 [0,1,0,0,0,1|2,0,0]=4 2062 B13R1.43 CCOCC(=O)Nc1nc(co1)C b552cc9e4e43bb0c889823acba660401 [0,1,0,0,0,1|2,0,0]=4 2063 B13R1.43 CCOCC(=O)Nc1ncc(o1)C 79705d6af78bba8b9b1cc6e39d2c6999 [0,1,0,0,0,1|2,0,0]=4 2064 B13R1.43 CCSCC(=O)Nc1cc(no1)C 15043142e61dec9521f49fb73ed71e42 [0,1,0,0,0,1|2,0,0]=4 2065 B13R1.43 CCSCC(=O)Nc1cnc(o1)C ffd1371ae98bbf37bd49d13a00b03360 [0,1,0,0,0,1|2,0,0]=4 2066 B13R1.43 CCSCC(=O)Nc1nc(co1)Br d104062c7f075acdf7120e18e4f2ee12 [0,1,0,0,0,1|2,0,0]=4 2067 B13R1.43 CCSCC(=O)Nc1nc(co1)C 371c5bd71b5998b96ad6152896325ef2 [0,1,0,0,0,1|2,0,0]=4 2068 B13R1.43 CCSCC(=O)Nc1ncc(o1)C 3ff5733c49344ca056a4c333da0faf13 [0,1,0,0,0,1|2,0,0]=4 2069 B13R1.43 COCCC(=O)Nc1cc(no1)C 2b67c2975c24115a98c726c807b4eb1c [0,1,0,0,0,1|2,0,0]=4 2070 B13R1.43 COCCC(=O)Nc1cnc(o1)C 9fbb3eb4b57064d418550d16b2a19d24 [0,1,0,0,0,1|2,0,0]=4 2071 B13R1.43 COCCC(=O)Nc1nc(co1)C 12bb969a7e43a6c33075e5f95c68f07f [0,1,0,0,0,1|2,0,0]=4 2072 B13R1.43 COCCC(=O)Nc1ncc(o1)C 68535a0f212b168d6bbc2173c03507a2 [0,1,0,0,0,1|2,0,0]=4 2073 B13R1.43 CSCCC(=O)Nc1cc(no1)C 318fbb8ee81505a077f0a549a739e227 [0,1,0,0,0,1|2,0,0]=4 2074 B13R1.43 CSCCC(=O)Nc1cnc(o1)C b3c02b3381d3a52566f9ed3743bdc3b0 [0,1,0,0,0,1|2,0,0]=4 2075 B13R1.43 CSCCC(=O)Nc1nc(co1)C e7daf7a417368d89e62685e988331ddb [0,1,0,0,0,1|2,0,0]=4 2076 B13R1.43 CSCCC(=O)Nc1ncc(o1)C 91f3c5501218a2cc955e02b45394fe80 [0,1,0,0,0,1|2,0,0]=4 2077 B13R1.43 Cc1cc(on1)NC(=O)CCCF 99022c7c27f37652afa3f0f8f6998cf3 [0,1,0,0,0,1|2,0,0]=4 2078 B13R1.43 Cc1cc(on1)NC(=O)CCCS 2dac071c276c8d02243ed9c3f3184a53 [0,1,0,0,0,1|2,0,0]=4 2079 B13R1.43 Cc1ccc(o1)CC(=O)NCCBr 9581a4b40ca901a8635ea21119610fb6 [0,1,0,0,0,1|2,0,0]=4 2080 B13R1.43 Cc1ccc(o1)CC(=O)NCCF 807b7b037da5da9ab43d541ba8048d74 [0,1,0,0,0,1|2,0,0]=4 2081 B13R1.43 Cc1ccc(o1)CC(=O)NCCI 1ad673dc354b1078d84cfbe7ecb87b1c [0,1,0,0,0,1|2,0,0]=4 2082 B13R1.43 Cc1ccc(o1)CC(=O)NCCO fcaa7fd4e6a4ec4a166a4cfb4dc509ea [0,1,0,0,0,1|2,0,0]=4 2083 B13R1.43 Cc1ccc(o1)CC(=O)NCCS a7202388bda77137c3de3e7aac8d61ab [0,1,0,0,0,1|2,0,0]=4 2084 B13R1.43 Cc1cnc(o1)NC(=O)CCCF 61e051256294a73045209e6925152d15 [0,1,0,0,0,1|2,0,0]=4 2085 B13R1.43 Cc1cnc(o1)NC(=O)CCCS df7d19f42d0be266d8c7aaa7f4801119 [0,1,0,0,0,1|2,0,0]=4 2086 B13R1.43 Cc1coc(n1)NC(=O)CCCF 0aca7b370e0bb262d08caee0667c31ba [0,1,0,0,0,1|2,0,0]=4 2087 B13R1.43 Cc1coc(n1)NC(=O)CCCS 5b12d77587638b3d33661db2925fab31 [0,1,0,0,0,1|2,0,0]=4 2088 B13R1.43 Cc1ncc(o1)NC(=O)CCCF f18c9c9076a6dcf377e71e489f5b8be9 [0,1,0,0,0,1|2,0,0]=4 2089 B13R1.43 Cc1ncc(o1)NC(=O)CCCS b5023d09fdf8f73e0b7185d229a3a690 [0,1,0,0,0,1|2,0,0]=4 2090 B13R1.43 O=C(CCCF)Nc1ccc(s1)Br 3fae8a3b38625d0ee6d6f16d79d7eefa [0,1,0,0,0,1|1,1,0]=4 2091 B13R1.43 O=C(CCCF)Nc1nc(co1)Br 20f44ae6008d7bb8ffb0528966231bd2 [0,1,0,0,0,1|2,0,0]=4 2092 B13R1.43 O=C(CCCS)Nc1nc(co1)Br 59d766634b78905d38d72533477dee8f [0,1,0,0,0,1|2,0,0]=4 2093 B13R1.66 C=C(CCC)C(=O)Nc1cccs1 a18dda2ec2fb155e31d9e48fec26dac0 [0,1,0,0,0,1|0,1,1]=4 2094 B13R1.66 C=C(CCC)C(=O)Nc1ccno1 deded1c66961c2ff1593c32bcfc13745 [0,1,0,0,0,1|1,0,1]=4 2095 B13R1.66 C=C(CCC)C(=O)Nc1ncco1 e788dbc978a16bf7c53ceb0d8a1f2aa4 [0,1,0,0,0,1|1,0,1]=4 2096 B13R1.66 CCCC(=O)C(=O)Nc1cccs1 d6699e9b268226464fc44ae28ee42066 [0,1,0,0,0,1|0,1,1]=4 2097 B13R1.66 CCCC(=O)C(=O)Nc1ccno1 9574307f217bd28bf266a0917dd38238 [0,1,0,0,0,1|1,0,1]=4 2098 B13R1.66 CCCC(=O)C(=O)Nc1ncco1 ea6b96456029d107f2ca79719732c2e3 [0,1,0,0,0,1|1,0,1]=4 2099 B13R1.66 CCCC(C)N(C)Cc1ccco1 1ab7fe43bfb64b378835ad2956433087 [0,1,0,0,0,1|2,0,0]=4 2100 B13R1.66 CCCC(O)C(=O)Nc1cccs1 92db0b5948339e6d2445bda188edc74c [0,1,0,0,0,1|0,1,0]=3 2101 B13R1.66 CCCC(O)C(=O)Nc1ccno1 3009d7cb1fcb7c63457289d8f89f480c [0,1,0,0,0,1|1,0,0]=3 2102 B13R1.66 CCCC(O)C(=O)Nc1ccns1 6138664a231cc6309aa07004b676c52b [0,1,0,0,0,1|1,1,0]=4 2103 B13R1.66 CCCC(O)C(=O)Nc1ccsc1 7cfd50b7f7daa227d7b53e1dec579a5e [0,1,0,0,0,1|2,0,0]=4 2104 B13R1.66 CCCC(O)C(=O)Nc1cncs1 865b5f884b0ae6a640290a38ecbb80be [0,1,0,0,0,1|1,1,0]=4 2105 B13R1.66 CCCC(O)C(=O)Nc1cocn1 b3e2264f760f8852e2eae450671a1bae [0,1,0,0,0,1|2,0,0]=4 2106 B13R1.66 CCCC(O)C(=O)Nc1cscn1 a6dac0f341b1b84949dd2acb9d5f4170 [0,1,0,0,0,1|2,0,0]=4 2107 B13R1.66 CCCC(O)C(=O)Nc1ncco1 ea8b3162e9a7b7342a9e82f10d0035c8 [0,1,0,0,0,1|1,0,0]=3 2108 B13R1.66 CCCC(O)C(=O)Nc1nccs1 7ea73341411885bed63262f06798a59c [0,1,0,0,0,1|1,1,0]=4 2109 B13R1.66 CCCN(C)C(=O)Cc1ccco1 5b9e6011187d5835074574c08689ddc1 [0,1,0,0,0,1|1,0,0]=3 2110 B13R1.66 CCCN(C)C(=O)Cc1cccs1 f36bda3bb95c76617b577ec7410d84b4 [0,1,0,0,0,1|1,1,0]=4 2111 B13R1.66 CCCN(C)C(=O)Cc1ccno1 b3cfe55a900c264d95ba1a4cb31f66fb [0,1,0,0,0,1|2,0,0]=4 2112 B13R1.66 CCCN(C)C(=O)Cc1cnco1 db969ee14d0e27ee621f368ff7bcc451 [0,1,0,0,0,1|2,0,0]=4 2113 B13R1.66 CCCN(C)C(=O)Nc1cccs1 c5b3f53b43136ea360c719cfbd05d993 [0,1,0,0,0,1|1,1,0]=4 2114 B13R1.66 CCCN(C)C(=O)Nc1ccno1 9c1f263e30e06d0ffd0e53b8015f8d70 [0,1,0,0,0,1|2,0,0]=4 2115 B13R1.66 CCCN(C)C(=O)Nc1ncco1 36d69e486df48ab9574999e7aec65edd [0,1,0,0,0,1|2,0,0]=4 2116 B13R1.66 CCC[C@@H](O)C(=O)Nc1cccs1 1f83e59433d34d9b0a016dab5a386ec8 [0,1,0,0,0,1|0,1,0]=3 2117 B13R1.66 CCC[C@@H](O)C(=O)Nc1ccno1 88d9cb1f6c6774bee066fe263395ec1b [0,1,0,0,0,1|1,0,0]=3 2118 B13R1.66 CCC[C@@H](O)C(=O)Nc1ccns1 e15a95c0c1f2bd6db5602b343a9bf5a5 [0,1,0,0,0,1|1,1,0]=4 2119 B13R1.66 CCC[C@@H](O)C(=O)Nc1ccsc1 f235cabc4b5a67756585a7a29199f0fe [0,1,0,0,0,1|2,0,0]=4 2120 B13R1.66 CCC[C@@H](O)C(=O)Nc1cncs1 832bc4e5519e2d3f3a3ee5b972543edd [0,1,0,0,0,1|1,1,0]=4 2121 B13R1.66 CCC[C@@H](O)C(=O)Nc1cocn1 a56fe393186724739934143afee01958 [0,1,0,0,0,1|2,0,0]=4 2122 B13R1.66 CCC[C@@H](O)C(=O)Nc1cscn1 359bf2dbfb1213a9be5654239cd23904 [0,1,0,0,0,1|2,0,0]=4 2123 B13R1.66 CCC[C@@H](O)C(=O)Nc1ncco1 aefefda63cd224c62c8bcb35905c0064 [0,1,0,0,0,1|1,0,0]=3 2124 B13R1.66 CCC[C@@H](O)C(=O)Nc1nccs1 306748389b85ab7bba45d9e8889c879e [0,1,0,0,0,1|1,1,0]=4 2125 B13R1.66 CCC[C@H](O)C(=O)Nc1cccs1 4fee46af2d834ed9721a1aeacc1f8e61 [0,1,0,0,0,1|0,1,0]=3 2126 B13R1.66 CCC[C@H](O)C(=O)Nc1ccno1 acba6d208917e2906f2a9875e091d025 [0,1,0,0,0,1|1,0,0]=3 2127 B13R1.66 CCC[C@H](O)C(=O)Nc1ccns1 46e47e98916ec044ffc01437aa81b782 [0,1,0,0,0,1|1,1,0]=4 2128 B13R1.66 CCC[C@H](O)C(=O)Nc1ccsc1 a621346f8be513d4a36833c3faa676ea [0,1,0,0,0,1|2,0,0]=4 2129 B13R1.66 CCC[C@H](O)C(=O)Nc1cncs1 dd9b02e7bb45db5c0f8a7f6ea8d5d221 [0,1,0,0,0,1|1,1,0]=4 2130 B13R1.66 CCC[C@H](O)C(=O)Nc1cocn1 cf3ff655ce693dd3feb55f63427b3bc5 [0,1,0,0,0,1|2,0,0]=4 2131 B13R1.66 CCC[C@H](O)C(=O)Nc1cscn1 a466367eec0ec8ea37f04e39ffe37ef3 [0,1,0,0,0,1|2,0,0]=4 2132 B13R1.66 CCC[C@H](O)C(=O)Nc1ncco1 b6a21a58f52f9a13ae7ca9becbe2c3d4 [0,1,0,0,0,1|1,0,0]=3 2133 B13R1.66 CCC[C@H](O)C(=O)Nc1nccs1 85d27413a5919f76d9da34b27b931906 [0,1,0,0,0,1|1,1,0]=4 2134 B13R1.66 CCOC(C)C(=O)Nc1cccs1 d38282eb570ad0f40b3893b027e70a56 [0,1,0,0,0,1|1,1,0]=4 2135 B13R1.66 CCOC(C)C(=O)Nc1ccno1 89752023af8131dfa6eb874a03adf5b0 [0,1,0,0,0,1|2,0,0]=4 2136 B13R1.66 CCOC(C)C(=O)Nc1ncco1 251001f761d4d98f70789d613f8ffdb0 [0,1,0,0,0,1|2,0,0]=4 2137 B13R1.66 CCSC(C)C(=O)Nc1cccs1 c787835f687fa7a163c3e3cc9dd1226c [0,1,0,0,0,1|1,1,0]=4 2138 B13R1.66 CCSC(C)C(=O)Nc1ccno1 e6ad6678a06981516289ed7bd8af12d8 [0,1,0,0,0,1|2,0,0]=4 2139 B13R1.66 CCSC(C)C(=O)Nc1ncco1 a509dbe9a91f6444fccc10dd2ecf9e4e [0,1,0,0,0,1|2,0,0]=4 2140 B13R1.66 CN(CCF)C(=O)Cc1ccco1 bafb197788c552832e61782e6e9d6fde [0,1,0,0,0,1|2,0,0]=4 2141 B13R1.66 CN(CCO)C(=O)Cc1ccco1 1430179adb0da616d4198cc9fbc95660 [0,1,0,0,0,1|2,0,0]=4 2142 B13R1.66 CSCC(O)C(=O)Nc1cccs1 539e3f6ca5425d1a69da5c481bc80284 [0,1,0,0,0,1|1,1,0]=4 2143 B13R1.66 CSCC(O)C(=O)Nc1ccno1 c75307760bf71d154d570dc2b27a37ea [0,1,0,0,0,1|2,0,0]=4 2144 B13R1.66 CSCC(O)C(=O)Nc1ncco1 5735047003169dfc8b571515e14a67a2 [0,1,0,0,0,1|2,0,0]=4 2145 B13R1.156 C#CCCCC(=O)Nc1cccs1 e2998f02fb57c7e8125c646228ce9c5a [0,1,0,0,0,1|0,1,1]=4 2146 B13R1.156 C#CCCCC(=O)Nc1ccno1 f49a520902bc159afc55be705bd0d8a2 [0,1,0,0,0,1|1,0,1]=4 2147 B13R1.156 C#CCCCC(=O)Nc1ncco1 c062863ae56d467854487b79b759c6e4 [0,1,0,0,0,1|1,0,1]=4 2148 B13R1.156 C#CCCNC(=O)Cc1ccco1 66bd7edc3777af832f4d7f3daf2e016d [0,1,0,0,0,1|0,0,2]=4 2149 B13R1.156 C=CCCCC(=O)Nc1cccs1 355dee162ffd0f0e8dced7f594c1625c [0,1,0,0,0,1|0,1,1]=4 2150 B13R1.156 C=CCCCC(=O)Nc1ccno1 ae076c72ea382ac7a5ab46723d0d84c5 [0,1,0,0,0,1|1,0,1]=4 2151 B13R1.156 C=CCCCC(=O)Nc1ncco1 f7b79bdc7897b03000065a0a1a25d9b7 [0,1,0,0,0,1|1,0,1]=4 2152 B13R1.156 C=CCCNC(=O)Cc1ccco1 205ce00bd73b8de74e0a4509943c9d5c [0,1,0,0,0,1|0,0,2]=4 2153 B13R1.156 CC#CCCC(=O)Nc1cccs1 7bb49f5d3a2ac3c4495c0224b49bed41 [0,1,0,0,0,1|0,1,1]=4 2154 B13R1.156 CC#CCCC(=O)Nc1ccno1 b2c1255efd10ec9a14108c5b8d19fd90 [0,1,0,0,0,1|1,0,1]=4 2155 B13R1.156 CC#CCCC(=O)Nc1ncco1 62ead4fc08b3407adb8f32bebb4ee409 [0,1,0,0,0,1|1,0,1]=4 2156 B13R1.156 CC#CCNC(=O)Cc1ccco1 6e2bd3d15ffe63b0da5fa6483a00124a [0,1,0,0,0,1|0,0,2]=4 2157 B13R1.156 CC/C=C/CC(=O)Nc1cccs1 9a46ea09e5174185a3548b3e8e7abdec [0,1,0,0,0,1|0,1,1]=4 2158 B13R1.156 CC/C=C/CC(=O)Nc1ccno1 fe771a82a4deccbb6cd14b3996868f0d [0,1,0,0,0,1|1,0,1]=4 2159 B13R1.156 CC/C=C/CC(=O)Nc1ncco1 8b53d3543572c352740f5b9c3eddb778 [0,1,0,0,0,1|1,0,1]=4 2160 B13R1.156 CC/C=C\CC(=O)Nc1cccs1 6444acd1c48c950fd30c73b8f9bc9c07 [0,1,0,0,0,1|0,1,1]=4 2161 B13R1.156 CC/C=C\CC(=O)Nc1ccno1 8ec733650a0d188658222f749a3f1b36 [0,1,0,0,0,1|1,0,1]=4 2162 B13R1.156 CC/C=C\CC(=O)Nc1ncco1 c6029b987caedb0fb9a2068e781b27c3 [0,1,0,0,0,1|1,0,1]=4 2163 B13R1.156 CC=CCCC(=O)Nc1cccs1 a323614e081940c9a6b7f45e91720545 [0,1,0,0,0,1|0,1,1]=4 2164 B13R1.156 CC=CCCC(=O)Nc1ccno1 ed93dfea6e73bd517c87f0e47092a7ee [0,1,0,0,0,1|1,0,1]=4 2165 B13R1.156 CC=CCCC(=O)Nc1ncco1 b489ae4a6ab5cf62195cb8b8ae55dfef [0,1,0,0,0,1|1,0,1]=4 2166 B13R1.156 CC=CCNC(=O)Cc1ccco1 c8e45c14fa31ba3380daf32234a8ceab [0,1,0,0,0,1|0,0,2]=4 2167 B13R1.156 CCC/C=C/C(=O)Nc1cccs1 dd0c4603a1993875d75b6d62e413958d [0,1,0,0,0,1|0,1,1]=4 2168 B13R1.156 CCC/C=C/C(=O)Nc1ccno1 9313b1302cd2c3094203e3669fe543c5 [0,1,0,0,0,1|1,0,1]=4 2169 B13R1.156 CCC/C=C/C(=O)Nc1ncco1 f55d37670efcc25edd3c1fd7b9edb61d [0,1,0,0,0,1|1,0,1]=4 2170 B13R1.156 CCC=CCC(=O)Nc1cccs1 cb93e40bd96b8073908dc973c259c2d9 [0,1,0,0,0,1|0,1,1]=4 2171 B13R1.156 CCC=CCC(=O)Nc1ccno1 7a28315216ec4433035b9743e8136108 [0,1,0,0,0,1|1,0,1]=4 2172 B13R1.156 CCC=CCC(=O)Nc1ncco1 ff38957e8e55c53f77add5eab34e5aad [0,1,0,0,0,1|1,0,1]=4 2173 B13R1.156 CCCC#CC(=O)Nc1cccs1 d5762cecb41055d0ca74e8f314f89851 [0,1,0,0,0,1|0,1,1]=4 2174 B13R1.156 CCCC#CC(=O)Nc1ccno1 184dd71d9ec790055b7809d6d64e6638 [0,1,0,0,0,1|1,0,1]=4 2175 B13R1.156 CCCC#CC(=O)Nc1ncco1 c32d6950260baabc06c13fc366ee46af [0,1,0,0,0,1|1,0,1]=4 2176 B13R1.156 CCCC=CC(=O)Nc1cccs1 09f78f44b3401b851a1a0e1990a94e40 [0,1,0,0,0,1|0,1,1]=4 2177 B13R1.156 CCCC=CC(=O)Nc1ccno1 ec9c9b1269e44859c6d88e6e0e6ab23d [0,1,0,0,0,1|1,0,1]=4 2178 B13R1.156 CCCC=CC(=O)Nc1ncco1 e3beb90f4f039dd6926b92505f002d16 [0,1,0,0,0,1|1,0,1]=4 2179 B13R1.156 CCCCCC(=O)Nc1cccs1 fe047a570a8412540ba2aea86d6fe223 [0,1,0,0,0,1|0,1,0]=3 2180 B13R1.156 CCCCCC(=O)Nc1ccno1 32c45fbd6815da3ecf1dc924501fbaee [0,1,0,0,0,1|1,0,0]=3 2181 B13R1.156 CCCCCC(=O)Nc1ccns1 5e36e18d382db2d47a5feea0aa6e1d32 [0,1,0,0,0,1|1,1,0]=4 2182 B13R1.156 CCCCCC(=O)Nc1ccon1 86d6435743d391d586486065afbb2c27 [0,1,0,0,0,1|2,0,0]=4 2183 B13R1.156 CCCCCC(=O)Nc1ccsc1 4240b9c8defb174b8a3f3bc8428d2ccb [0,1,0,0,0,1|2,0,0]=4 2184 B13R1.156 CCCCCC(=O)Nc1cncs1 ad24aec06dec6e48aa77d306318b97e4 [0,1,0,0,0,1|1,1,0]=4 2185 B13R1.156 CCCCCC(=O)Nc1cocn1 fb9e4f09a4099ad2181490545a91d9fa [0,1,0,0,0,1|2,0,0]=4 2186 B13R1.156 CCCCCC(=O)Nc1cscn1 84dc5eb9a977454935a6bb92ee4a82fa [0,1,0,0,0,1|2,0,0]=4 2187 B13R1.156 CCCCCC(=O)Nc1ncco1 817362990ee90cb414f4d3d17e313b7c [0,1,0,0,0,1|1,0,0]=3 2188 B13R1.156 CCCCCC(=O)Nc1nccs1 f0dbf66d2432968323c7251d6deaa72b [0,1,0,0,0,1|1,1,0]=4 2189 B13R1.156 CCCCCC(=O)Nc1nnco1 13ff32d6f822bc2ed2fb25df48e63130 [0,1,0,0,0,1|2,0,0]=4 2190 B13R1.156 CCCCCC(C)Oc1ccco1 712669dd52ef9fe4b51709a145a0c352 [0,1,0,0,0,1|1,0,1]=4 2191 B13R1.156 CCCCCN(C)Cc1ccco1 33ddd32e17f764e265bcb2a905d9625d [0,1,0,0,0,1|2,0,0]=4 2192 B13R1.156 CCCCC[C@H](C)Oc1ccco1 93f5863aeedfc4b0777878e80ea6b5d5 [0,1,0,0,0,1|1,0,1]=4 2193 B13R1.156 CCCCNC(=O)Cc1ccco1 17d8f8f2f70ea73af8222e55fc304aaa [0,1,0,0,0,1|0,0,0]=2 2194 B13R1.156 CCCCNC(=O)Cc1cccs1 11d489cee292b24c37e7206caada80e5 [0,1,0,0,0,1|0,1,0]=3 2195 B13R1.156 CCCCNC(=O)Cc1ccno1 35b7041e1f77f16d88748d04acefabd1 [0,1,0,0,0,1|1,0,0]=3 2196 B13R1.156 CCCCNC(=O)Cc1ccoc1 db5b3fa39b9240cb58d0f05faf2d93d7 [0,1,0,0,0,1|2,0,0]=4 2197 B13R1.156 CCCCNC(=O)Cc1ccon1 1c0c172f7d12b9e802e6df5792f1d45d [0,1,0,0,0,1|2,0,0]=4 2198 B13R1.156 CCCCNC(=O)Cc1ccsc1 773d0358d30baea97b625c87883ef4c5 [0,1,0,0,0,1|2,0,0]=4 2199 B13R1.156 CCCCNC(=O)Cc1cnco1 499d0c5ffa15438b4220c769dd6628a4 [0,1,0,0,0,1|1,0,0]=3 2200 B13R1.156 CCCCNC(=O)Cc1cncs1 20ae11840dd3b0a5055872336bb00fe1 [0,1,0,0,0,1|1,1,0]=4 2201 B13R1.156 CCCCNC(=O)Cc1cscn1 2c54bbb56fdfe83fef6046808e132ca5 [0,1,0,0,0,1|2,0,0]=4 2202 B13R1.156 CCCCNC(=O)Cc1nccs1 61853ebf3e37f5a01b208d8ee61bb1f2 [0,1,0,0,0,1|1,1,0]=4 2203 B13R1.156 CCCCNC(=O)Cc1nnco1 37aad4b61dab415f12cfe522fe5b47ff [0,1,0,0,0,1|2,0,0]=4 2204 B13R1.156 CCCCNC(=O)Cn1cccc1 0b3d9f7e6458f462674a5b692d0c5b70 [0,1,0,0,0,1|2,0,0]=4 2205 B13R1.156 CCCCNC(=O)Cn1cccn1 46801fbd87cd2b072cac6dec4a084ca5 [0,1,0,0,0,1|2,0,0]=4 2206 B13R1.156 CCCCNC(=O)Nc1cc[nH]n1 9e729a666972178df11088388e0f3407 [0,1,0,0,0,1|2,0,0]=4 2207 B13R1.156 CCCCNC(=O)Nc1ccno1 0fc6feeae59350ab933579c4cbced384 [0,1,0,0,0,1|1,0,0]=3 2208 B13R1.156 CCCCNC(=O)Nc1ccns1 60b320a46644b9982c22b6e41981b69a [0,1,0,0,0,1|1,1,0]=4 2209 B13R1.156 CCCCNC(=O)Nc1ccsc1 c6860aa8dbb44c88c0c076af552898b8 [0,1,0,0,0,1|2,0,0]=4 2210 B13R1.156 CCCCNC(=O)Nc1cocn1 6b37939655bfe4f1a0b2e351be041470 [0,1,0,0,0,1|2,0,0]=4 2211 B13R1.156 CCCCNC(=O)Nc1cscn1 9fbad1a56c3baccceb1a4d253dce06ee [0,1,0,0,0,1|2,0,0]=4 2212 B13R1.156 CCCCNC(=O)Nc1ncco1 cf33a81fc5961c88dc1abc2d4e4a59f8 [0,1,0,0,0,1|1,0,0]=3 2213 B13R1.156 CCCCNC(=O)Nc1nccs1 bd743e551210b0ba80bec875e29fa474 [0,1,0,0,0,1|1,1,0]=4 2214 B13R1.156 CCCCNC(=S)Nc1cccs1 a904f20710a7be4a48533f3442d10943 [0,1,0,0,0,1|0,2,0]=4 2215 B13R1.156 CCCCNC(=S)Nc1ccno1 9b0b42b721b8d7b19d4bb6793884e376 [0,1,0,0,0,1|1,1,0]=4 2216 B13R1.156 CCCCNC(=S)Nc1ncco1 112c2e0bd7f828547c37cb7fe870d456 [0,1,0,0,0,1|1,1,0]=4 2217 B13R1.156 CCCCNC(C)Cc1ccco1 6e87dd0a50e292a362e44de560f08861 [0,1,0,0,0,1|1,0,1]=4 2218 B13R1.156 CCCCOC(C)Cc1ccco1 2a9e73b2a72a3253783cb65a03a67b0f [0,1,0,0,0,1|1,0,1]=4 2219 B13R1.156 CCCNCC(=O)Nc1ccon1 10a930de9bb11e5486244744741fd33c [0,1,0,0,0,1|2,0,0]=4 2220 B13R1.156 CCCNCC(=O)Nc1nccs1 9c95ea11f047034fce068fd44138145d [0,1,0,0,0,1|1,1,0]=4 2221 B13R1.156 CCCOCC(=O)Nc1cccs1 c8d25a4da4953c328d6c52d843596ef3 [0,1,0,0,0,1|0,1,0]=3 2222 B13R1.156 CCCOCC(=O)Nc1ccno1 d9bb656e6efe4f1a8222bc1e4057d800 [0,1,0,0,0,1|1,0,0]=3 2223 B13R1.156 CCCOCC(=O)Nc1ccns1 af774db568869bcfbe328a7e47ade98a [0,1,0,0,0,1|1,1,0]=4 2224 B13R1.156 CCCOCC(=O)Nc1ccon1 0db2ed456f7eb8d788658e36c3277adf [0,1,0,0,0,1|2,0,0]=4 2225 B13R1.156 CCCOCC(=O)Nc1ccsc1 79a23d825b0a7ca6f2cdac1b41fba8b5 [0,1,0,0,0,1|2,0,0]=4 2226 B13R1.156 CCCOCC(=O)Nc1cncs1 04f5bed891164475336b4371cf0620d8 [0,1,0,0,0,1|1,1,0]=4 2227 B13R1.156 CCCOCC(=O)Nc1cocn1 b8ba4e6c26259e48ffa2dfdd960a8a24 [0,1,0,0,0,1|2,0,0]=4 2228 B13R1.156 CCCOCC(=O)Nc1cscn1 6118a1f4e1f2a46fde5cf536560b3d50 [0,1,0,0,0,1|2,0,0]=4 2229 B13R1.156 CCCOCC(=O)Nc1ncco1 7fb87e0d6fa290367b9553003472f245 [0,1,0,0,0,1|1,0,0]=3 2230 B13R1.156 CCCOCC(=O)Nc1nccs1 c08c248ad33b9f3c5ce4448e3db76c17 [0,1,0,0,0,1|1,1,0]=4 2231 B13R1.156 CCCOCC(=O)Nc1nnco1 4fc34c46a1677e2ef8a7375de8c81167 [0,1,0,0,0,1|2,0,0]=4 2232 B13R1.156 CCCSCC(=O)Nc1cccs1 c7172fe1989001fc69a9c2bc3d54e992 [0,1,0,0,0,1|0,1,0]=3 2233 B13R1.156 CCCSCC(=O)Nc1ccno1 5d8fc5525dca1bef9c77e52e31b1c3de [0,1,0,0,0,1|1,0,0]=3 2234 B13R1.156 CCCSCC(=O)Nc1ccns1 b2588ae20a1ebe29abb4ee314a1c25d5 [0,1,0,0,0,1|1,1,0]=4 2235 B13R1.156 CCCSCC(=O)Nc1ccsc1 dd7109f1dc0f2f5d860c39ab43541fde [0,1,0,0,0,1|2,0,0]=4 2236 B13R1.156 CCCSCC(=O)Nc1cncs1 aafba7eb75c5ea0751a065a21f25b14d [0,1,0,0,0,1|1,1,0]=4 2237 B13R1.156 CCCSCC(=O)Nc1cocn1 6fad4be5882f5ee61df3eaabba408687 [0,1,0,0,0,1|2,0,0]=4 2238 B13R1.156 CCCSCC(=O)Nc1cscn1 fc24af706a5ea796073f2d5398c42671 [0,1,0,0,0,1|2,0,0]=4 2239 B13R1.156 CCCSCC(=O)Nc1ncco1 5ceafbd3a55ecf907572e1b273ba49e3 [0,1,0,0,0,1|1,0,0]=3 2240 B13R1.156 CCCSCC(=O)Nc1nccs1 3a11518c28e105df1ad2c41afc46da57 [0,1,0,0,0,1|1,1,0]=4 2241 B13R1.156 CCOCCC(=O)Nc1cccs1 4eb36fad908902c666980e1545b3787b [0,1,0,0,0,1|0,1,0]=3 2242 B13R1.156 CCOCCC(=O)Nc1ccno1 bc5b0eb5d7eadf7c7d72bf2e4c4352e9 [0,1,0,0,0,1|1,0,0]=3 2243 B13R1.156 CCOCCC(=O)Nc1ccns1 fc6aee2938e3fe201e3a764067851654 [0,1,0,0,0,1|1,1,0]=4 2244 B13R1.156 CCOCCC(=O)Nc1cncs1 bd0cbd3d5591bc00a229b6e8df5fc1cd [0,1,0,0,0,1|1,1,0]=4 2245 B13R1.156 CCOCCC(=O)Nc1cscn1 5471710470062b8a829f27110f171c00 [0,1,0,0,0,1|2,0,0]=4 2246 B13R1.156 CCOCCC(=O)Nc1nccs1 124137de88366387de00ef23e35e47b5 [0,1,0,0,0,1|1,1,0]=4 2247 B13R1.156 CCOCCN(C)Cc1ccco1 cb5153f99f4ab9be7704870929649a71 [0,1,0,0,0,1|2,0,0]=4 2248 B13R1.156 CCSCCC(=O)Nc1cccs1 da95a2fde01f3cef45df52d2998fd787 [0,1,0,0,0,1|0,1,0]=3 2249 B13R1.156 CCSCCC(=O)Nc1ccno1 1860d3813bc341b605c77bf377c172c2 [0,1,0,0,0,1|1,0,0]=3 2250 B13R1.156 CCSCCC(=O)Nc1ccns1 64de96464d0828b0b77a546bc964a569 [0,1,0,0,0,1|1,1,0]=4 2251 B13R1.156 CCSCCC(=O)Nc1ccsc1 b76f23d94e71955504146d287cad3fa0 [0,1,0,0,0,1|2,0,0]=4 2252 B13R1.156 CCSCCC(=O)Nc1cncs1 d1c48cb11440613acd8850bab5acb2c0 [0,1,0,0,0,1|1,1,0]=4 2253 B13R1.156 CCSCCC(=O)Nc1cocn1 cccbd608222136d111b255a4f0173d85 [0,1,0,0,0,1|2,0,0]=4 2254 B13R1.156 CCSCCC(=O)Nc1cscn1 9c3e561438514a0a76c5ea87718a0079 [0,1,0,0,0,1|2,0,0]=4 2255 B13R1.156 CCSCCC(=O)Nc1ncco1 fa2ec4a46f1bd8d72c0eca09e7731e20 [0,1,0,0,0,1|1,0,0]=3 2256 B13R1.156 CCSCCC(=O)Nc1nccs1 ba735cb44e2335f773597aeadf48ffe1 [0,1,0,0,0,1|1,1,0]=4 2257 B13R1.156 CCSCCN(C)Cc1ccco1 e341cc12465e09f8782363733c0f746f [0,1,0,0,0,1|2,0,0]=4 2258 B13R1.156 CN(CCCCF)Cc1ccco1 83c200b94537979fac77a3ac02f85bdd [0,1,0,0,0,1|2,0,0]=4 2259 B13R1.156 CN(CCCCO)Cc1ccco1 2a678dcc18d0828a1442880d8f401ac9 [0,1,0,0,0,1|2,0,0]=4 2260 B13R1.156 COCCCC(=O)Nc1cccs1 41e3be805c50afead91159abb07577af [0,1,0,0,0,1|0,1,0]=3 2261 B13R1.156 COCCCC(=O)Nc1ccno1 9cf0a85876efceae2f072a8dbe88942d [0,1,0,0,0,1|1,0,0]=3 2262 B13R1.156 COCCCC(=O)Nc1ccns1 9fca6d70bdad5a7b31e2aedd2bedec12 [0,1,0,0,0,1|1,1,0]=4 2263 B13R1.156 COCCCC(=O)Nc1ccon1 b9a9b9268b92e6a7fe51f79db533913b [0,1,0,0,0,1|2,0,0]=4 2264 B13R1.156 COCCCC(=O)Nc1ccsc1 c26edc27b1ee4676d2db68112aff3e7d [0,1,0,0,0,1|2,0,0]=4 2265 B13R1.156 COCCCC(=O)Nc1cncs1 0bb39ad801c843356366756b96733e25 [0,1,0,0,0,1|1,1,0]=4 2266 B13R1.156 COCCCC(=O)Nc1cocn1 abaefc2b741f1046ee756875344c3a3d [0,1,0,0,0,1|2,0,0]=4 2267 B13R1.156 COCCCC(=O)Nc1cscn1 2f9b93b776b978abdc2d496e0d9ba275 [0,1,0,0,0,1|2,0,0]=4 2268 B13R1.156 COCCCC(=O)Nc1ncco1 2c48431afa749f3da90118b9007d2d9c [0,1,0,0,0,1|1,0,0]=3 2269 B13R1.156 COCCCC(=O)Nc1nccs1 183ee19ba2cf03f58dfb51e7e7fa9b9a [0,1,0,0,0,1|1,1,0]=4 2270 B13R1.156 COCCCN(C)Cc1ccco1 41d874c7fa53847d54a8ece08b509f5b [0,1,0,0,0,1|2,0,0]=4 2271 B13R1.156 COCCNC(=O)Cc1ccco1 71a0404efec228fe6fdd861639905008 [0,1,0,0,0,1|1,0,0]=3 2272 B13R1.156 COCCNC(=O)Cc1cccs1 e6dc3d6fac60f074237d96ff00a25d49 [0,1,0,0,0,1|1,1,0]=4 2273 B13R1.156 COCCNC(=O)Cc1ccno1 64e6669d0a8349e1bb99681771ed3958 [0,1,0,0,0,1|2,0,0]=4 2274 B13R1.156 COCCNC(=O)Cc1cnco1 62e37e4e4d979fbe7a057eed050cd4ff [0,1,0,0,0,1|2,0,0]=4 2275 B13R1.156 COCCNC(=O)Nc1ccno1 a333fb7f3fb8179967b1541d28f130ca [0,1,0,0,0,1|2,0,0]=4 2276 B13R1.156 COCCNC(=O)Nc1ncco1 9d14d0605dc5a9fc49ec85ae276078f0 [0,1,0,0,0,1|2,0,0]=4 2277 B13R1.156 CSCCCC(=O)Nc1cccs1 bcc726bae2f965ea6fe8745e4da9ee9b [0,1,0,0,0,1|0,1,0]=3 2278 B13R1.156 CSCCCC(=O)Nc1ccno1 de89e92f3f03d9d34fdae475fab7297d [0,1,0,0,0,1|1,0,0]=3 2279 B13R1.156 CSCCCC(=O)Nc1ccns1 f91cdd1a94b25e06c4774179b3467cd9 [0,1,0,0,0,1|1,1,0]=4 2280 B13R1.156 CSCCCC(=O)Nc1ccon1 fffbd1392afa977e4e991e755ad20df2 [0,1,0,0,0,1|2,0,0]=4 2281 B13R1.156 CSCCCC(=O)Nc1ccsc1 679461931c000bce112cec4b26de95e8 [0,1,0,0,0,1|2,0,0]=4 2282 B13R1.156 CSCCCC(=O)Nc1cncs1 cad9e7af81012ddc772a8224a6adc2fe [0,1,0,0,0,1|1,1,0]=4 2283 B13R1.156 CSCCCC(=O)Nc1cocn1 2b04b3fa5ab90a8e77cafa25383112c4 [0,1,0,0,0,1|2,0,0]=4 2284 B13R1.156 CSCCCC(=O)Nc1cscn1 3dc8f52b65080d4058063039f80ddbb9 [0,1,0,0,0,1|2,0,0]=4 2285 B13R1.156 CSCCCC(=O)Nc1ncco1 cef9eb7c9e9340c1874d2a7a23313b15 [0,1,0,0,0,1|1,0,0]=3 2286 B13R1.156 CSCCCC(=O)Nc1nccs1 7e9979105ad9ab40edb8a8ae9dee0578 [0,1,0,0,0,1|1,1,0]=4 2287 B13R1.156 CSCCCN(C)Cc1ccco1 9b2cfa83e4084ac0f41fef48814b6b0b [0,1,0,0,0,1|2,0,0]=4 2288 B13R1.156 CSCCNC(=O)Cc1ccco1 65ec11371c67f6dff5e539868bafd346 [0,1,0,0,0,1|1,0,0]=3 2289 B13R1.156 CSCCNC(=O)Cc1cccs1 eceacd7ef6bc1cc4c6ba9a36bcd3b246 [0,1,0,0,0,1|1,1,0]=4 2290 B13R1.156 CSCCNC(=O)Cc1ccno1 6427985ccb8c0818fb9845b15311e4d9 [0,1,0,0,0,1|2,0,0]=4 2291 B13R1.156 CSCCNC(=O)Cc1cnco1 03be746daf769f79b92ab2447e1beccf [0,1,0,0,0,1|2,0,0]=4 2292 B13R1.156 CSCCNC(=O)Nc1ccno1 fdfbd540804e6d8324404b6f6e2f4563 [0,1,0,0,0,1|2,0,0]=4 2293 B13R1.156 CSSCCC(=O)Nc1cccs1 e353a93b5b2561f8d8d3bd43fe5c808e [0,1,0,0,0,1|1,1,0]=4 2294 B13R1.156 CSSCCC(=O)Nc1ccno1 35bf146e09a9c1926d845e27782d0f15 [0,1,0,0,0,1|2,0,0]=4 2295 B13R1.156 CSSCCC(=O)Nc1ncco1 099fad480a027812e3e6a537460a7e74 [0,1,0,0,0,1|2,0,0]=4 2296 B13R1.156 N#CCCCC(=O)Nc1cccs1 b91a1cc3b7e61f7781816d46c461a02f [0,1,0,0,0,1|0,1,1]=4 2297 B13R1.156 N#CCCCC(=O)Nc1ccno1 81caaad6ef3df9fc973581de8a1920aa [0,1,0,0,0,1|1,0,1]=4 2298 B13R1.156 N#CCCCC(=O)Nc1ncco1 d1d995dd648cc0505bed0d1341a161e1 [0,1,0,0,0,1|1,0,1]=4 2299 B13R1.156 N#CCCNC(=O)Cc1ccco1 799cb80ecd8c9750a4b0fbe553248549 [0,1,0,0,0,1|1,0,1]=4 2300 B13R1.156 NCCCNC(=O)Nc1ccno1 bcaebb5a5f9891187e899c9da06910c8 [0,1,0,0,0,1|2,0,0]=4 2301 B13R1.156 NCCCNC(=O)Nc1ncco1 7e04c500f4187abed371b6330371efc2 [0,1,0,0,0,1|2,0,0]=4 2302 B13R1.156 NOCCNC(=O)Cc1ccco1 ec29eb03d89ddb4ee2dea630a56b2259 [0,1,0,0,0,1|2,0,0]=4 2303 B13R1.156 O=C(CCCCF)Nc1cccs1 042a8b01f9b7abed32677dcd92e8e364 [0,1,0,0,0,1|0,1,0]=3 2304 B13R1.156 O=C(CCCCF)Nc1ccno1 6a41e230918ab381ea27e47a868db22f [0,1,0,0,0,1|1,0,0]=3 2305 B13R1.156 O=C(CCCCF)Nc1ccns1 76596c50f1715a8161091214eaacc5c6 [0,1,0,0,0,1|1,1,0]=4 2306 B13R1.156 O=C(CCCCF)Nc1ccon1 14ed67dbdff1b7f9d67bffff74fdcdcc [0,1,0,0,0,1|2,0,0]=4 2307 B13R1.156 O=C(CCCCF)Nc1ccsc1 79d4240635fd9e67638d5fb2201d8b60 [0,1,0,0,0,1|2,0,0]=4 2308 B13R1.156 O=C(CCCCF)Nc1cncs1 63a648db30faaf09a5f1c99f04e9bc78 [0,1,0,0,0,1|1,1,0]=4 2309 B13R1.156 O=C(CCCCF)Nc1cocn1 7beaab324b5669704cc429ee0c38c257 [0,1,0,0,0,1|2,0,0]=4 2310 B13R1.156 O=C(CCCCF)Nc1cscn1 56e7cd199c310a3d8a03389440291d9d [0,1,0,0,0,1|2,0,0]=4 2311 B13R1.156 O=C(CCCCF)Nc1ncco1 69dd47b750156e70be7c1aec42c5efde [0,1,0,0,0,1|1,0,0]=3 2312 B13R1.156 O=C(CCCCF)Nc1nccs1 d6a25df71e0dbeb0fbd1596f6aecafd9 [0,1,0,0,0,1|1,1,0]=4 2313 B13R1.156 O=C(CCCCF)Nc1nnco1 322c86d5803115e1301da1e5d4fd14ac [0,1,0,0,0,1|2,0,0]=4 2314 B13R1.156 O=C(CCCCO)Nc1cccs1 6eccc090a5ef8cd21bc7bb8ffb12f40c [0,1,0,0,0,1|0,1,0]=3 2315 B13R1.156 O=C(CCCCO)Nc1ccno1 59de91504524e4d8eaf4b34000685e49 [0,1,0,0,0,1|1,0,0]=3 2316 B13R1.156 O=C(CCCCO)Nc1ccns1 434b2353cf52aa824877dc552967ccae [0,1,0,0,0,1|1,1,0]=4 2317 B13R1.156 O=C(CCCCO)Nc1ccon1 3e025a693eee4cd596af008bacd72ed7 [0,1,0,0,0,1|2,0,0]=4 2318 B13R1.156 O=C(CCCCO)Nc1ccsc1 cfa6f9045ba9b00e08af04f37d023bfd [0,1,0,0,0,1|2,0,0]=4 2319 B13R1.156 O=C(CCCCO)Nc1cncs1 4b93b2417dda1f50f8132ed66686a3b4 [0,1,0,0,0,1|1,1,0]=4 2320 B13R1.156 O=C(CCCCO)Nc1cocn1 69a6680f8c0ce6b11752a48ebbe11d20 [0,1,0,0,0,1|2,0,0]=4 2321 B13R1.156 O=C(CCCCO)Nc1cscn1 e027443bd77254c24ad54e28320e2802 [0,1,0,0,0,1|2,0,0]=4 2322 B13R1.156 O=C(CCCCO)Nc1ncco1 c73c35068eeb58a9e55a132b3776032d [0,1,0,0,0,1|1,0,0]=3 2323 B13R1.156 O=C(CCCCO)Nc1nccs1 8dcc81033c270b49cb74d4e22cd4ea53 [0,1,0,0,0,1|1,1,0]=4 2324 B13R1.156 O=C(CCCCO)Nc1nnco1 1323f6c2b4382e302cd4d22120a21227 [0,1,0,0,0,1|2,0,0]=4 2325 B13R1.156 O=C(CCCCS)Nc1cccs1 d429ffa008dedcfb6ed0ab68b8850490 [0,1,0,0,0,1|0,1,0]=3 2326 B13R1.156 O=C(CCCCS)Nc1ccno1 bae023c7f318216e73118916c085c562 [0,1,0,0,0,1|1,0,0]=3 2327 B13R1.156 O=C(CCCCS)Nc1ccns1 0262326193643662f75bfb28983b0825 [0,1,0,0,0,1|1,1,0]=4 2328 B13R1.156 O=C(CCCCS)Nc1ccon1 f04b8ae8b9955e223f2cf83ea4da3a12 [0,1,0,0,0,1|2,0,0]=4 2329 B13R1.156 O=C(CCCCS)Nc1ccsc1 35b6bdaac0c6885c9b1d50b925d20d5f [0,1,0,0,0,1|2,0,0]=4 2330 B13R1.156 O=C(CCCCS)Nc1cncs1 db05967ba4e41ab47192485515208dab [0,1,0,0,0,1|1,1,0]=4 2331 B13R1.156 O=C(CCCCS)Nc1cocn1 333caa7fa7c0cf87d5a0f94f17e9373e [0,1,0,0,0,1|2,0,0]=4 2332 B13R1.156 O=C(CCCCS)Nc1cscn1 f5b4b757f7025895e32c583f09800649 [0,1,0,0,0,1|2,0,0]=4 2333 B13R1.156 O=C(CCCCS)Nc1ncco1 fe3ee3e5ff088e9951696505df74bbc9 [0,1,0,0,0,1|1,0,0]=3 2334 B13R1.156 O=C(CCCCS)Nc1nccs1 188ef13b86c355562c79f35622923518 [0,1,0,0,0,1|1,1,0]=4 2335 B13R1.156 O=C(COCCO)Nc1cccs1 bd2f8cc3f3a4f16ae9bb30f5ac78215f [0,1,0,0,0,1|1,1,0]=4 2336 B13R1.156 O=C(COCCO)Nc1ccno1 fae19096ac6e9a87c2d98bd87bf17626 [0,1,0,0,0,1|2,0,0]=4 2337 B13R1.156 O=C(COCCO)Nc1ncco1 41977e055f5eeb997443a34298a11162 [0,1,0,0,0,1|2,0,0]=4 2338 B13R1.156 O=C(COCCS)Nc1cccs1 fc478f551843ca9c1675cdf1da88b415 [0,1,0,0,0,1|1,1,0]=4 2339 B13R1.156 O=C(COCCS)Nc1ccno1 16cdaa7b0985d691c7d882048038ccb0 [0,1,0,0,0,1|2,0,0]=4 2340 B13R1.156 O=C(COCCS)Nc1ncco1 b5f56fe56ffa5213898f2716b925e16a [0,1,0,0,0,1|2,0,0]=4 2341 B13R1.156 O=C(Cc1ccco1)NCCCCl 086862f78979688586d0c4009da74c0f [0,1,0,0,0,1|1,0,0]=3 2342 B13R1.156 O=C(Cc1ccco1)NCCCO 10f1261c05fc39afe901d17dcb063eb2 [0,1,0,0,0,1|1,0,0]=3 2343 B13R1.156 O=C(Cc1cccs1)NCCCCl 878c21e28329ba31790792e759d2b996 [0,1,0,0,0,1|1,1,0]=4 2344 B13R1.156 O=C(Cc1cccs1)NCCCO fc71de2af4e8b96aa429c3f09de8c359 [0,1,0,0,0,1|1,1,0]=4 2345 B13R1.156 O=C(Cc1ccno1)NCCCCl 115dd9418753effe3770b686c532e747 [0,1,0,0,0,1|2,0,0]=4 2346 B13R1.156 O=C(Cc1ccno1)NCCCO f77afeb082fa47fc819e35527a0604bc [0,1,0,0,0,1|2,0,0]=4 2347 B13R1.156 O=C(Cc1cnco1)NCCCCl 6161c0f4bd6f2e2dc9ff1108b749f0f4 [0,1,0,0,0,1|2,0,0]=4 2348 B13R1.156 O=C(Cc1cnco1)NCCCO 61a676d3e19def6b9ffd9907242dc209 [0,1,0,0,0,1|2,0,0]=4 2349 B13R1.156 O=C(NCCCO)Nc1ccno1 02d8bb4743bf7df3f31433e7d1c0f0ae [0,1,0,0,0,1|2,0,0]=4 2350 B13R1.156 O=C(NCCCO)Nc1ncco1 9ce0a1ceb4f74b5518f8ea7572781560 [0,1,0,0,0,1|2,0,0]=4 2351 B13R1.156 O=CCCCC(=O)Nc1cccs1 7175ae930ba4c2fdb41c5b9f0630a31a [0,1,0,0,0,1|0,1,1]=4 2352 B13R1.156 O=CCCCC(=O)Nc1ccno1 73cbd78c0e866ec01bcfe567ea80c8b1 [0,1,0,0,0,1|1,0,1]=4 2353 B13R1.156 O=CCCCC(=O)Nc1ncco1 1a90627c926160be117131fab0804a88 [0,1,0,0,0,1|1,0,1]=4 2354 B13R1.166 CCCCC(=O)N(C)c1ccon1 3e485a65ed415044c9736f5b6c9bcdd6 [0,1,0,0,0,1|2,0,0]=4 2355 B13R1.166 CCCCC(=O)N(C)c1ccsc1 7ad4846464fc4b1b7d6fa312cc503d36 [0,1,0,0,0,1|2,0,0]=4 2356 B13R1.166 CCCCC(=O)N(C)c1ncco1 17e21149e65eb1db54e13ca41130dcd9 [0,1,0,0,0,1|1,0,0]=3 2357 B13R1.166 CCCCC(=O)N(C)c1nccs1 6afe099cc670aef3996875911c5c38f5 [0,1,0,0,0,1|1,1,0]=4 2358 B13R1.166 CCCCC(=O)N(C)c1nnco1 ea1474d0d3bb33850623687ba943255f [0,1,0,0,0,1|2,0,0]=4 2359 B13R1.166 CCCCN(C)C(=O)c1ccco1 63a188000d81d1be5720a9053f47969c [0,1,0,0,0,1|2,0,0]=4 2360 B13R1.166 CCCNC(=O)C(=O)c1ccco1 c980f39a642164eb78e202240976eb89 [0,1,0,0,0,1|1,0,0]=3 2361 B13R1.166 CCCNC(=O)C(=O)c1cccs1 7fffeda6adda07aedff6c41a53cb5da8 [0,1,0,0,0,1|1,1,0]=4 2362 B13R1.166 CCCNC(=O)N(C)c1ncco1 b13978e82f6fa40c1e253612b87a03e0 [0,1,0,0,0,1|2,0,0]=4 2363 B13R1.166 CCOCC(=O)N(C)c1ncco1 a95e00a057071115ce0041760f6bf6f2 [0,1,0,0,0,1|2,0,0]=4 2364 B13R1.166 CCSCC(=O)N(C)c1ncco1 804a44ca762c37d170b784d8056012c1 [0,1,0,0,0,1|2,0,0]=4 2365 B13R1.166 CN(C(=O)CCCF)c1ncco1 19b17a83a4830af07c8448d1e73d745d [0,1,0,0,0,1|2,0,0]=4 2366 B13R1.166 CN(C(=O)CCCS)c1ncco1 245cb30c29a247b1eb990b448374430c [0,1,0,0,0,1|2,0,0]=4 2367 B13R1.166 COCCC(=O)N(C)c1ncco1 325883c54d646f2008bccb5ec3476926 [0,1,0,0,0,1|2,0,0]=4 2368 B13R1.166 CSCCC(=O)N(C)c1ncco1 8ec9eb22231be8772701bd41f47d9f68 [0,1,0,0,0,1|2,0,0]=4 2369 B13R1.166 O=C(NCCBr)C(=O)c1ccco1 427f03511ec03ec94b801b5a604389c2 [0,1,0,0,0,1|2,0,0]=4 2370 B13R1.166 O=C(NCCF)C(=O)c1ccco1 ffcf254d13fde04c32a573dcbf13aea3 [0,1,0,0,0,1|2,0,0]=4 2371 B13R1.166 O=C(NCCI)C(=O)c1ccco1 642f8375a49b4dffb27a1212b29efea0 [0,1,0,0,0,1|2,0,0]=4 2372 B13R1.166 O=C(NCCO)C(=O)c1ccco1 afc56a5e6e1e90c6cf60f97b04f5ef80 [0,1,0,0,0,1|2,0,0]=4 2373 B13R1.166 O=C(NCCS)C(=O)c1ccco1 8c2971624e38272bf52d46ea7ca2e88c [0,1,0,0,0,1|2,0,0]=4 2374 B13R1.344 C=C(C)CCC(=O)Nc1cccs1 8083b85f72c4435dcebe0fa63237b1b8 [0,1,0,0,0,1|0,1,1]=4 2375 B13R1.344 C=C(C)CCC(=O)Nc1ccno1 0122c9e37727b2d72699016f9d84d39f [0,1,0,0,0,1|1,0,1]=4 2376 B13R1.344 C=C(C)CCC(=O)Nc1ncco1 2d6676dc188d3420832a44ecbdaf379f [0,1,0,0,0,1|1,0,1]=4 2377 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 c5c1505db0b34f3634af283f7594a511 [0,1,0,0,0,1|1,0,1]=4 2378 B13R1.344 CC(=O)CCC(=O)Nc1cccs1 2bbf40697fa8bcf776db3b7c7b541446 [0,1,0,0,0,1|0,1,1]=4 2379 B13R1.344 CC(=O)CCC(=O)Nc1ccno1 d89f4c38df0a76d1dc8fec4f0edbc6cf [0,1,0,0,0,1|1,0,1]=4 2380 B13R1.344 CC(=O)CCC(=O)Nc1ncco1 fdbc1e34e45acf24d62558fa2a2ed1f0 [0,1,0,0,0,1|1,0,1]=4 2381 B13R1.344 CC(=O)CNC(=O)Cc1ccco1 dfef17279d0bd7ae508e6d8d86afb2c7 [0,1,0,0,0,1|1,0,1]=4 2382 B13R1.344 CC(C)CCC(=O)Nc1cccs1 86cbf5d48e133c76beb3ff4df492bd54 [0,1,0,0,0,1|0,1,0]=3 2383 B13R1.344 CC(C)CCC(=O)Nc1ccno1 5af374f1b2714ea7ab865b1ea8c7aef9 [0,1,0,0,0,1|1,0,0]=3 2384 B13R1.344 CC(C)CCC(=O)Nc1ccns1 a3056c511c113c16f0505029033dda14 [0,1,0,0,0,1|1,1,0]=4 2385 B13R1.344 CC(C)CCC(=O)Nc1ccsc1 1cd1b22640aefd3a4dbe6312059ef818 [0,1,0,0,0,1|2,0,0]=4 2386 B13R1.344 CC(C)CCC(=O)Nc1cocn1 51c513ee2a824aa7fd7c652b030a8c66 [0,1,0,0,0,1|2,0,0]=4 2387 B13R1.344 CC(C)CCC(=O)Nc1cscn1 d04cd226a7822380fd59cceba01c0ffa [0,1,0,0,0,1|2,0,0]=4 2388 B13R1.344 CC(C)CCC(=O)Nc1ncco1 591a8ae3f52a1e6cdd59898cb83c2cdc [0,1,0,0,0,1|1,0,0]=3 2389 B13R1.344 CC(C)CCC(=O)Nc1nccs1 718596b06c0745e233892bdf72e95bcf [0,1,0,0,0,1|1,1,0]=4 2390 B13R1.344 CC(C)CCC(C)Oc1ccco1 db37903347100a7b80d90c4259752018 [0,1,0,0,0,1|1,0,1]=4 2391 B13R1.344 CC(C)CCN(C)Cc1ccco1 44b7c61ac8dcc049a9660f252202ea90 [0,1,0,0,0,1|2,0,0]=4 2392 B13R1.344 CC(C)CNC(=O)Cc1ccco1 741b3b77658e13842a567e54b7e3ae92 [0,1,0,0,0,1|1,0,0]=3 2393 B13R1.344 CC(C)CNC(=O)Cc1cccs1 2018bb0f47dadfd56898699301572cb1 [0,1,0,0,0,1|1,1,0]=4 2394 B13R1.344 CC(C)CNC(=O)Cc1ccno1 084c2b150a3e74890c3c18eaf5b318de [0,1,0,0,0,1|2,0,0]=4 2395 B13R1.344 CC(C)CNC(=O)Cc1cnco1 a2cd5e160519135fca2880dd021010e7 [0,1,0,0,0,1|2,0,0]=4 2396 B13R1.344 CC(C)CNC(=O)Nc1cccs1 0750b27fd8b62cd16f21d1e86b20ee10 [0,1,0,0,0,1|1,1,0]=4 2397 B13R1.344 CC(C)CNC(=O)Nc1ccno1 efc3ed82d07a09339300ea94e521297a [0,1,0,0,0,1|2,0,0]=4 2398 B13R1.344 CC(C)CNC(=O)Nc1ncco1 6cccb2e2c6df8257dfacd88c58005fc8 [0,1,0,0,0,1|2,0,0]=4 2399 B13R1.344 CC(C)OCC(=O)Nc1cccs1 f38fc830c449c40c203c081f64133f14 [0,1,0,0,0,1|1,1,0]=4 2400 B13R1.344 CC(C)OCC(=O)Nc1ccno1 89195e56eadb57def2952d7b7ac07a98 [0,1,0,0,0,1|2,0,0]=4 2401 B13R1.344 CC(C)OCC(=O)Nc1ncco1 069ea52a9b3656e03037b8626a964997 [0,1,0,0,0,1|2,0,0]=4 2402 B13R1.344 CC(O)CCC(=O)Nc1cccs1 d84a56439efd1789260acfc08a3bd9b2 [0,1,0,0,0,1|0,1,0]=3 2403 B13R1.344 CC(O)CCC(=O)Nc1ccno1 5e1481e3485017e33a868c03677652fd [0,1,0,0,0,1|1,0,0]=3 2404 B13R1.344 CC(O)CCC(=O)Nc1ccns1 a8ac421f2ace72976f836136c1753c90 [0,1,0,0,0,1|1,1,0]=4 2405 B13R1.344 CC(O)CCC(=O)Nc1ccsc1 254cabe1113facb7921edc6be6798f8a [0,1,0,0,0,1|2,0,0]=4 2406 B13R1.344 CC(O)CCC(=O)Nc1cocn1 44da13009b80f26df2a9d1634bc4ad9c [0,1,0,0,0,1|2,0,0]=4 2407 B13R1.344 CC(O)CCC(=O)Nc1cscn1 2133bd4ad80f7c11332e3f3809ea01cd [0,1,0,0,0,1|2,0,0]=4 2408 B13R1.344 CC(O)CCC(=O)Nc1ncco1 d0f941bc82373c77049b69de35536db9 [0,1,0,0,0,1|1,0,0]=3 2409 B13R1.344 CC(O)CCC(=O)Nc1nccs1 da6b2d1cec83925117c852d753bd8d21 [0,1,0,0,0,1|1,1,0]=4 2410 B13R1.344 CC(O)CCN(C)Cc1ccco1 f296242f1e86b4b00e0cd737db5cb671 [0,1,0,0,0,1|2,0,0]=4 2411 B13R1.344 CC(O)CNC(=O)Cc1ccco1 d2dbbcc47736cad7c884ae608c9ea2d5 [0,1,0,0,0,1|1,0,0]=3 2412 B13R1.344 CC(O)CNC(=O)Cc1cccs1 d5cbd9eaa047ad8226298e4faa1d4be3 [0,1,0,0,0,1|1,1,0]=4 2413 B13R1.344 CC(O)CNC(=O)Cc1ccno1 fbb2dfa81daeb9613273177dc71c764e [0,1,0,0,0,1|2,0,0]=4 2414 B13R1.344 CC(O)CNC(=O)Cc1cnco1 c2c295dc556d364cf1c7a3c7976e5279 [0,1,0,0,0,1|2,0,0]=4 2415 B13R1.344 CC(O)CNC(=O)Nc1ccno1 c32bf0238cbd4ad05a7673c636d25dcf [0,1,0,0,0,1|2,0,0]=4 2416 B13R1.344 CC(O)CNC(=O)Nc1ncco1 020f5b9f93f4dab4a8986d4ee7f95867 [0,1,0,0,0,1|2,0,0]=4 2417 B13R1.344 CC(S)CCC(=O)Nc1cccs1 c6ca5c1ee7fad84d9a141ca72fba0c26 [0,1,0,0,0,1|0,1,0]=3 2418 B13R1.344 CC(S)CCC(=O)Nc1ccno1 e1f918498bb3d42686d1526dfe59749c [0,1,0,0,0,1|1,0,0]=3 2419 B13R1.344 CC(S)CCC(=O)Nc1ccns1 ad994e6b7e2e05c5341c6290e293f77a [0,1,0,0,0,1|1,1,0]=4 2420 B13R1.344 CC(S)CCC(=O)Nc1ccsc1 b70533c3cc5930ff3746b0c980bf775e [0,1,0,0,0,1|2,0,0]=4 2421 B13R1.344 CC(S)CCC(=O)Nc1cncs1 fba9eab57ed8a1db9b47dc8a5e9d5756 [0,1,0,0,0,1|1,1,0]=4 2422 B13R1.344 CC(S)CCC(=O)Nc1cocn1 a1ce4fdfb3e9470efdea42842268abb8 [0,1,0,0,0,1|2,0,0]=4 2423 B13R1.344 CC(S)CCC(=O)Nc1cscn1 fa07b691c30b55fd7ae099f0f9aebe2d [0,1,0,0,0,1|2,0,0]=4 2424 B13R1.344 CC(S)CCC(=O)Nc1ncco1 ca448430d2ba487d69389c9e4823e218 [0,1,0,0,0,1|1,0,0]=3 2425 B13R1.344 CC(S)CCC(=O)Nc1nccs1 385904bb04a53b5dbe752c7790f370c4 [0,1,0,0,0,1|1,1,0]=4 2426 B13R1.344 CC(S)CCC(=O)Nc1nnco1 223ebda3559c1c30b84f5912d8998946 [0,1,0,0,0,1|2,0,0]=4 2427 B13R1.344 CN(C)CCC(=O)Nc1cccs1 a4b4e29df1671ff3b0ecfdd3299d5541 [0,1,0,0,0,1|1,1,0]=4 2428 B13R1.344 CN(C)CCC(=O)Nc1ccno1 87884c4707ab4da8ec9822e9c3cd54a9 [0,1,0,0,0,1|2,0,0]=4 2429 B13R1.344 CS(=O)CCC(=O)Nc1cccs1 0f732899e4508042a4953db5161d6149 [0,1,0,0,0,1|1,1,0]=4 2430 B13R1.344 CS(=O)CCC(=O)Nc1ccno1 a149e9986ef25d28be38f6455323c7ca [0,1,0,0,0,1|2,0,0]=4 2431 B13R1.344 CS(=O)CCC(=O)Nc1ncco1 d2352b0fe0753243f9b6641dc73b6bd1 [0,1,0,0,0,1|2,0,0]=4 2432 B13R1.344 C[C@@H](O)CNC(=O)Cc1ccco1 d01a4f4904d256d90d9ac484490f0dc1 [0,1,0,0,0,1|1,0,0]=3 2433 B13R1.344 C[C@@H](O)CNC(=O)Cc1cccs1 caefc7bd57d64026bf93dd4198c989e5 [0,1,0,0,0,1|1,1,0]=4 2434 B13R1.344 C[C@@H](O)CNC(=O)Cc1ccno1 6d62588d4cd76beb9a79431474a784ad [0,1,0,0,0,1|2,0,0]=4 2435 B13R1.344 C[C@@H](O)CNC(=O)Cc1cnco1 e8f8bccdfec1fc36df0c0ae4e4d1b82a [0,1,0,0,0,1|2,0,0]=4 2436 B13R1.344 C[C@@H](O)CNC(=O)Nc1ccno1 78677638f3eceb06894f7819a1e54b2b [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.344 C[C@@H](O)CNC(=O)Nc1ncco1 86f289b583203e1f90d10a0c1b65cb5b [0,1,0,0,0,1|2,0,0]=4 2438 B13R1.344 C[C@H](O)CNC(=O)Cc1ccco1 5259b5bf20fca19aff68663be4c36263 [0,1,0,0,0,1|1,0,0]=3 2439 B13R1.344 C[C@H](O)CNC(=O)Cc1cccs1 a141ff0a0d547fa8da627c7156d98955 [0,1,0,0,0,1|1,1,0]=4 2440 B13R1.344 C[C@H](O)CNC(=O)Cc1ccno1 0f5825b50cb6ded47d848d0da0e7281a [0,1,0,0,0,1|2,0,0]=4 2441 B13R1.344 C[C@H](O)CNC(=O)Cc1cnco1 46ae70fb76dd07ece33109b66223786b [0,1,0,0,0,1|2,0,0]=4 2442 B13R1.344 C[C@H](O)CNC(=O)Nc1ccno1 a7b92e6f8d19d0a54a81dbbb15df2133 [0,1,0,0,0,1|2,0,0]=4 2443 B13R1.344 C[C@H](O)CNC(=O)Nc1ncco1 3714ddd5f3dc956348c0e35a3a9977d1 [0,1,0,0,0,1|2,0,0]=4 2444 B13R1.344 C[C@H](S)CCC(=O)Nc1cccs1 eafcd9663f237efe6c1e73a37a3cf212 [0,1,0,0,0,1|0,1,0]=3 2445 B13R1.344 C[C@H](S)CCC(=O)Nc1ccno1 5c868269b10be9c9a5a7947aad54440d [0,1,0,0,0,1|1,0,0]=3 2446 B13R1.344 C[C@H](S)CCC(=O)Nc1ccns1 4eafda258e6c5ce4537067ff5945800e [0,1,0,0,0,1|1,1,0]=4 2447 B13R1.344 C[C@H](S)CCC(=O)Nc1ccsc1 df69a78976521b5c4a2a9a25cd5e229b [0,1,0,0,0,1|2,0,0]=4 2448 B13R1.344 C[C@H](S)CCC(=O)Nc1cncs1 66711a1406c6602017a715061c06684c [0,1,0,0,0,1|1,1,0]=4 2449 B13R1.344 C[C@H](S)CCC(=O)Nc1cocn1 8a4e34e5e803f328efeb30eb61d7eb14 [0,1,0,0,0,1|2,0,0]=4 2450 B13R1.344 C[C@H](S)CCC(=O)Nc1cscn1 6219df432c97fa3a958ebaab10f8b373 [0,1,0,0,0,1|2,0,0]=4 2451 B13R1.344 C[C@H](S)CCC(=O)Nc1ncco1 9a6044218e6b44e83a640c4b28359b93 [0,1,0,0,0,1|1,0,0]=3 2452 B13R1.344 C[C@H](S)CCC(=O)Nc1nccs1 b549a86702e1f513425fcf1df0ac8f10 [0,1,0,0,0,1|1,1,0]=4 2453 B13R1.344 C[C@H](S)CCC(=O)Nc1nnco1 b8b33af19de3a1a10e456a1a59444bf9 [0,1,0,0,0,1|2,0,0]=4 2454 B13R1.344 O=C(CCC(F)F)Nc1cccs1 32e178b3d5b9541eb3a3b764aed62ccc [0,1,0,0,0,1|1,1,0]=4 2455 B13R1.344 O=C(CCC(F)F)Nc1ccno1 ccc9390c178f751bc252c7f36159e7b3 [0,1,0,0,0,1|2,0,0]=4 2456 B13R1.344 O=C(CCC(F)F)Nc1ncco1 5ac485ae3bae0472d38e2221df36a88f [0,1,0,0,0,1|2,0,0]=4 2457 B13R1.344 O=C(Cc1ccco1)NCC(F)F 10382e5489fef9c2423c23d3948c13a7 [0,1,0,0,0,1|2,0,0]=4 2458 B13R1.372 CCCCC(CC)Oc1ccco1 60adc480623b1f44055010b2e9050062 [0,1,0,0,0,1|1,0,1]=4 2459 B13R1.372 CCCCN(C=O)Cc1cccs1 7086e48ab917b7a4518de2fe7e9eb534 [0,1,0,0,0,1|1,1,0]=4 2460 B13R1.372 CCCCN(CC)Cc1ccco1 83d40f5bdef6cc895cccfae1f2414473 [0,1,0,0,0,1|2,0,0]=4 2461 B13R1.372 COCCN(C=O)Cc1ccco1 b0970b52fc2b8a7d8a8786dea29e41fb [0,1,0,0,0,1|2,0,0]=4 2462 B13R1.545 CC(CO)NC(=O)Cc1ccco1 68f28871c617cc20b9d59bbb2f3db660 [0,1,0,0,0,1|2,0,0]=4 2463 B13R1.545 CCC(C)CC(=O)Nc1cccs1 c356dafa29be1d971043693f9d59f936 [0,1,0,0,0,1|0,1,0]=3 2464 B13R1.545 CCC(C)CC(=O)Nc1ccno1 63c37518d402ef019c10a712d973fb8f [0,1,0,0,0,1|1,0,0]=3 2465 B13R1.545 CCC(C)CC(=O)Nc1ccns1 675dc28eb6e0ae70799bd42b34657eba [0,1,0,0,0,1|1,1,0]=4 2466 B13R1.545 CCC(C)CC(=O)Nc1ccsc1 083b83af976d45809f44de8b2cdb5776 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.545 CCC(C)CC(=O)Nc1cncs1 7625dfc99bd9c76ca48cf32140dbbad9 [0,1,0,0,0,1|1,1,0]=4 2468 B13R1.545 CCC(C)CC(=O)Nc1cocn1 1d8da3ae9c2af5df420e9477ac2980f1 [0,1,0,0,0,1|2,0,0]=4 2469 B13R1.545 CCC(C)CC(=O)Nc1cscn1 68e6d079bd4bcd56f0ff0eaf93bf1863 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.545 CCC(C)CC(=O)Nc1ncco1 85e4a9bbd266b507057accdeda96b96e [0,1,0,0,0,1|1,0,0]=3 2471 B13R1.545 CCC(C)CC(=O)Nc1nccs1 04e43cb5c7fe5340eaa7ebc71610d87c [0,1,0,0,0,1|1,1,0]=4 2472 B13R1.545 CCC(C)CN(C)Cc1ccco1 9ba0cc30e254f31cbce10ebdc6f10b9a [0,1,0,0,0,1|2,0,0]=4 2473 B13R1.545 CCC(C)NC(=O)Cc1ccco1 57a7ac96726445a94284e25ebe6f9479 [0,1,0,0,0,1|1,0,0]=3 2474 B13R1.545 CCC(C)NC(=O)Cc1cccs1 4e687875c7356feff1716e87460fc5d6 [0,1,0,0,0,1|1,1,0]=4 2475 B13R1.545 CCC(C)NC(=O)Cc1ccno1 d1669ea5ba710c5a0d4a385624d7c510 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.545 CCC(C)NC(=O)Cc1cnco1 db0d76191936d5858dd2c2b516210c7a [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.545 CCC(O)CC(=O)Nc1cccs1 15edf7fe63dc49755cb64cb9fcfeadc4 [0,1,0,0,0,1|0,1,0]=3 2478 B13R1.545 CCC(O)CC(=O)Nc1ccno1 5a03f7ac7b2d9d83495138182d45a26c [0,1,0,0,0,1|1,0,0]=3 2479 B13R1.545 CCC(O)CC(=O)Nc1ccns1 ea4ae1a3273c953290f88b0fa0276927 [0,1,0,0,0,1|1,1,0]=4 2480 B13R1.545 CCC(O)CC(=O)Nc1ccon1 8477ca4f62778e2093a76910b3dfe887 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.545 CCC(O)CC(=O)Nc1ccsc1 df799f09cc61d4042ffe4df3a9c508ed [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.545 CCC(O)CC(=O)Nc1cncs1 bc4c6aec30715a252805e22d79380a2a [0,1,0,0,0,1|1,1,0]=4 2483 B13R1.545 CCC(O)CC(=O)Nc1cocn1 78b9ed4113d82fb5c771d5ca93841cfc [0,1,0,0,0,1|2,0,0]=4 2484 B13R1.545 CCC(O)CC(=O)Nc1cscn1 f0c9ae7ea39ca78c826b246baa0ef7c9 [0,1,0,0,0,1|2,0,0]=4 2485 B13R1.545 CCC(O)CC(=O)Nc1ncco1 e237c7f4876db097b8f51e73bb997e54 [0,1,0,0,0,1|1,0,0]=3 2486 B13R1.545 CCC(O)CC(=O)Nc1nccs1 34a163496db5acbb6177123b817e86f9 [0,1,0,0,0,1|1,1,0]=4 2487 B13R1.545 CCC(O)CN(C)Cc1ccco1 cbdf018a2215f2da811661d7ff5a8d22 [0,1,0,0,0,1|2,0,0]=4 2488 B13R1.545 CCN(C)CC(=O)Nc1cccs1 1b23bc3a88d16b286199b4241db710cb [0,1,0,0,0,1|1,1,0]=4 2489 B13R1.545 CCN(C)CC(=O)Nc1ccno1 d27c66e583d36c7d9f38b8bd24bba9bb [0,1,0,0,0,1|2,0,0]=4 2490 B13R1.545 CCN(C)CC(=O)Nc1ncco1 565add2afc1f7df39ff0bc8d1bbe3f5c [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.545 CC[C@@H](C)CC(=O)Nc1cccs1 87bb781c479a83ccb91ef610bd8a0758 [0,1,0,0,0,1|0,1,0]=3 2492 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccno1 cdd5219d5e4019c2ec02208cfdc48fe5 [0,1,0,0,0,1|1,0,0]=3 2493 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccns1 0b6eece6feb2ed77e6cff2050c468121 [0,1,0,0,0,1|1,1,0]=4 2494 B13R1.545 CC[C@@H](C)CC(=O)Nc1ccsc1 5beae508a4064bdbd41913f6d7a3905a [0,1,0,0,0,1|2,0,0]=4 2495 B13R1.545 CC[C@@H](C)CC(=O)Nc1cncs1 661ca456bfe2d8559690f7fa4d1a009a [0,1,0,0,0,1|1,1,0]=4 2496 B13R1.545 CC[C@@H](C)CC(=O)Nc1cocn1 59eeb8f6e0efaaf9c8772b682081920f [0,1,0,0,0,1|2,0,0]=4 2497 B13R1.545 CC[C@@H](C)CC(=O)Nc1cscn1 40dbd9c651713eed4b74efb2bac112c1 [0,1,0,0,0,1|2,0,0]=4 2498 B13R1.545 CC[C@@H](C)CC(=O)Nc1ncco1 92ae50fb8d8ddf75f2cfd48ee8c0af09 [0,1,0,0,0,1|1,0,0]=3 2499 B13R1.545 CC[C@@H](C)CC(=O)Nc1nccs1 40fd7e00cd6cb0686f4d28d1dd858ef4 [0,1,0,0,0,1|1,1,0]=4 2500 B13R1.545 CC[C@@H](C)CN(C)Cc1ccco1 d1ce57a340da5c1f0f8a67857805b887 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.545 CC[C@@H](C)NC(=O)Cc1ccco1 11ac3813c012ddb3874ec83100159f62 [0,1,0,0,0,1|1,0,0]=3 2502 B13R1.545 CC[C@@H](C)NC(=O)Cc1cccs1 d3b289152e998f7555f6caae9c447ca4 [0,1,0,0,0,1|1,1,0]=4 2503 B13R1.545 CC[C@@H](C)NC(=O)Cc1ccno1 76196d359c40922f5893da930c5bf9d5 [0,1,0,0,0,1|2,0,0]=4 2504 B13R1.545 CC[C@@H](C)NC(=O)Cc1cnco1 6f765bf15bcda67c3c9a80296ff0ad4e [0,1,0,0,0,1|2,0,0]=4 2505 B13R1.545 CC[C@@H](O)CC(=O)Nc1cccs1 efb3f26a4a05f6cbf44f2f1b81e9612c [0,1,0,0,0,1|0,1,0]=3 2506 B13R1.545 CC[C@@H](O)CC(=O)Nc1ccno1 9afc2599bb3d559d5b8a95ed6bead8f7 [0,1,0,0,0,1|1,0,0]=3 2507 B13R1.545 CC[C@@H](O)CC(=O)Nc1ccns1 f4c95f400e7943fdc7fa65a873984f19 [0,1,0,0,0,1|1,1,0]=4 2508 B13R1.545 CC[C@@H](O)CC(=O)Nc1ccon1 460a542d4ec002ab1047a88b4e051862 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.545 CC[C@@H](O)CC(=O)Nc1ccsc1 3de0adc35a80c25861fd5a028356302d [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.545 CC[C@@H](O)CC(=O)Nc1cncs1 211da497721c5114b2c73a0eef542823 [0,1,0,0,0,1|1,1,0]=4 2511 B13R1.545 CC[C@@H](O)CC(=O)Nc1cocn1 f1640ae7f616c61c91ca9deaefdf6444 [0,1,0,0,0,1|2,0,0]=4 2512 B13R1.545 CC[C@@H](O)CC(=O)Nc1cscn1 6f3614391ef1ad025bde9971e975b006 [0,1,0,0,0,1|2,0,0]=4 2513 B13R1.545 CC[C@@H](O)CC(=O)Nc1ncco1 be415206d03feceaabcfa2c7e4f3080a [0,1,0,0,0,1|1,0,0]=3 2514 B13R1.545 CC[C@@H](O)CC(=O)Nc1nccs1 f2bfd192e980e884278ff3592622b7ac [0,1,0,0,0,1|1,1,0]=4 2515 B13R1.545 CC[C@H](C)CC(=O)Nc1cccs1 632a3025da7f0ac29605ad2f7f1efc25 [0,1,0,0,0,1|0,1,0]=3 2516 B13R1.545 CC[C@H](C)CC(=O)Nc1ccno1 80b71da026e2ca2ea50f23b1d81b8b72 [0,1,0,0,0,1|1,0,0]=3 2517 B13R1.545 CC[C@H](C)CC(=O)Nc1ccns1 caa9c791b854ece071200ecff668560a [0,1,0,0,0,1|1,1,0]=4 2518 B13R1.545 CC[C@H](C)CC(=O)Nc1ccsc1 551eeff29366afd7da1f95bc8544b2f1 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.545 CC[C@H](C)CC(=O)Nc1cncs1 5b1462b013a8526a5a05c760a33a8952 [0,1,0,0,0,1|1,1,0]=4 2520 B13R1.545 CC[C@H](C)CC(=O)Nc1cocn1 1a1cc6be73430fff0ceb81a86f43a8cb [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.545 CC[C@H](C)CC(=O)Nc1cscn1 5e2b6d00e38fc72ecb7f0ea315117786 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.545 CC[C@H](C)CC(=O)Nc1ncco1 8c318f49b6120a783c467119992ec0f3 [0,1,0,0,0,1|1,0,0]=3 2523 B13R1.545 CC[C@H](C)CC(=O)Nc1nccs1 d62212d0c9d2a0236fceb0a60a5ebe1a [0,1,0,0,0,1|1,1,0]=4 2524 B13R1.545 CC[C@H](C)CN(C)Cc1ccco1 7a94dfadb253915d42fef2cb09423548 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.545 CC[C@H](C)NC(=O)Cc1ccco1 fa71ed731cfff5c93c4a0d05b5d415bf [0,1,0,0,0,1|1,0,0]=3 2526 B13R1.545 CC[C@H](C)NC(=O)Cc1cccs1 2c70330029ebc140dc0ca365ddffd217 [0,1,0,0,0,1|1,1,0]=4 2527 B13R1.545 CC[C@H](C)NC(=O)Cc1ccno1 a5285fc6916a98700542edb06552c779 [0,1,0,0,0,1|2,0,0]=4 2528 B13R1.545 CC[C@H](C)NC(=O)Cc1cnco1 ec6ca9c036e4e6ff6726a5a70b502b20 [0,1,0,0,0,1|2,0,0]=4 2529 B13R1.545 CC[C@H](O)CC(=O)Nc1cccs1 734be58a577a11b24a4c7168ffc62689 [0,1,0,0,0,1|0,1,0]=3 2530 B13R1.545 CC[C@H](O)CC(=O)Nc1ccno1 b3bfc5726abc6f44fd00a7caeb8f4cb4 [0,1,0,0,0,1|1,0,0]=3 2531 B13R1.545 CC[C@H](O)CC(=O)Nc1ccns1 4f084a92e51688435526fddb4d4d6991 [0,1,0,0,0,1|1,1,0]=4 2532 B13R1.545 CC[C@H](O)CC(=O)Nc1ccon1 4acc8ee4395b0528e9b15c41104d9460 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.545 CC[C@H](O)CC(=O)Nc1ccsc1 0aa853b1903e2e6e020248b0059bfb89 [0,1,0,0,0,1|2,0,0]=4 2534 B13R1.545 CC[C@H](O)CC(=O)Nc1cncs1 7cf4a5b1292f4e5a37f39461fac3374d [0,1,0,0,0,1|1,1,0]=4 2535 B13R1.545 CC[C@H](O)CC(=O)Nc1cocn1 e80fe43d9ff16f8f8efef6b3aab3fd61 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.545 CC[C@H](O)CC(=O)Nc1cscn1 056388c829d04714faf817355ddba4b2 [0,1,0,0,0,1|2,0,0]=4 2537 B13R1.545 CC[C@H](O)CC(=O)Nc1ncco1 7e49ddd7d890ea8586e2ca1fc8ecdc04 [0,1,0,0,0,1|1,0,0]=3 2538 B13R1.545 CC[C@H](O)CC(=O)Nc1nccs1 b2f8b70acb8e57b13e8ff0c0c4bb497c [0,1,0,0,0,1|1,1,0]=4 2539 B13R1.545 COC(C)CC(=O)Nc1cccs1 befd09a085139e03787d313b0f624f83 [0,1,0,0,0,1|1,1,0]=4 2540 B13R1.545 COC(C)CC(=O)Nc1ccno1 22da0581ebf278acca6e5f03bc5a27a0 [0,1,0,0,0,1|2,0,0]=4 2541 B13R1.545 COC(C)CC(=O)Nc1ncco1 4740c1f8beb202162e2d8299d9033844 [0,1,0,0,0,1|2,0,0]=4 2542 B13R1.545 C[C@@H](CO)NC(=O)Cc1ccco1 3187a10a01332bf7f76bcd156de21b02 [0,1,0,0,0,1|2,0,0]=4 2543 B13R1.545 C[C@H](CO)NC(=O)Cc1ccco1 4e0ed874a77ffb85bb7bfb29f5e27fd8 [0,1,0,0,0,1|2,0,0]=4 2544 B13R1.686 CCCCC(=O)Nc1ccnn1C b9366a99465f1f87316d4a87813c4587 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.686 CCCCC(=O)Nc1ccsc1C 452ada39cf822cad9d7d4c66b39edffa [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.686 CCCCC(=O)Nc1cncn1C 47dcfaf6518840bbfc77b5e43ac50ec1 [0,1,0,0,0,1|2,0,0]=4 2547 B13R1.686 CCCCC(=O)Nc1cscc1Br ffc5979e907cf9eec04d32df3d987df9 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.686 CCCCC(=O)Nc1cscc1C 5250a6bf9ddaa146781cf5c3d72dc1e0 [0,1,0,0,0,1|2,0,0]=4 2549 B13R1.686 CCCCC(=O)Nc1nocc1C 6d5575c7c95fee02d1fd1bf83ef853a4 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.686 CCCCC(=O)Nc1oncc1C 62e65db7d1bc3912e880abd93cce48a7 [0,1,0,0,0,1|1,0,0]=3 2551 B13R1.686 CCCCC(=O)Nc1scnc1C 38eb8f53e34b3410e94b6fbba89900e2 [0,1,0,0,0,1|1,1,0]=4 2552 B13R1.686 CCCCN(C)Cc1occc1C d8a21a6bf8b5b728b7b103c254e9e5b7 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.686 CCCNC(=O)Cc1cccn1C b0c3a94e47587eed8364e94c7163f86b [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.686 CCCNC(=O)Cc1occc1Cl 489719967cec40e7fd19d25dd04e2245 [0,1,0,0,0,1|1,0,0]=3 2555 B13R1.686 CCCNC(=O)Cc1sccc1C a78103c366499f50ad0b104d4a908d75 [0,1,0,0,0,1|1,1,0]=4 2556 B13R1.686 CCCNC(=O)Cc1sccc1Cl c9def0b756aab50cc4ea444b7f8363af [0,1,0,0,0,1|1,1,0]=4 2557 B13R1.686 Cc1cnoc1NC(=O)CCCF 6300cb47e5d2036799fde3e1e27785d9 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.686 Cc1cnoc1NC(=O)CCCS 3aa74fec325301838a34d96c07527ec4 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.686 O=C(Cc1occc1Cl)NCCBr 5edc53e9eed3f0372f9210cbd90b029f [0,1,0,0,0,1|2,0,0]=4 2560 B13R1.686 O=C(Cc1occc1Cl)NCCF daca505db8b61591840e0e2818379efa [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.686 O=C(Cc1occc1Cl)NCCI cb95ad4664917e6cf3cf2e571eb3a8ef [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.686 O=C(Cc1occc1Cl)NCCO 1dc1b1a013f781e1226d3cdaeb4a6329 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.686 O=C(Cc1occc1Cl)NCCS 7365d13259330508e42fc5b163b40c20 [0,1,0,0,0,1|2,0,0]=4 2564 B13R1.10 CC(CO)NC(=O)c1cc(co1)Br 2d6b941bbce5a93f543938c4f1bf19e1 [0,2,0,0,0,0|2,0,0]=4 2565 B13R1.10 CC(CO)NC(=O)c1cc(co1)Cl 291af0482fc15b76e602a8c5c97279c8 [0,2,0,0,0,0|2,0,0]=4 2566 B13R1.10 CC(CO)NC(=O)c1ccc(o1)Br 057c68d790cfd8744d915396bd5bf66b [0,2,0,0,0,0|2,0,0]=4 2567 B13R1.10 CC(CO)NC(=O)c1ccc(o1)Cl dbc1d8a2fc2baa342d35a7122a4a6aa4 [0,2,0,0,0,0|2,0,0]=4 2568 B13R1.10 CC(CO)NC(=O)c1ccc(o1)F 920dfcdea89847a8dd0cc2cc3c3e76a6 [0,2,0,0,0,0|2,0,0]=4 2569 B13R1.10 CC(CO)NC(=O)c1ccc(o1)I 44fd0a329ac518c0462d7ab9ba29f39c [0,2,0,0,0,0|2,0,0]=4 2570 B13R1.10 CCC(C)NC(=O)c1cc(co1)Br 535afa530d809b5a525657da427deaa1 [0,2,0,0,0,0|1,0,0]=3 2571 B13R1.10 CCC(C)NC(=O)c1cc(co1)C ecf24eda4a9d79a2bfd87873550f90da [0,2,0,0,0,0|1,0,0]=3 2572 B13R1.10 CCC(C)NC(=O)c1cc(co1)Cl 14ee55d69d66da55f06bb5cf4980b2b1 [0,2,0,0,0,0|1,0,0]=3 2573 B13R1.10 CCC(C)NC(=O)c1cc(cs1)Br 22c8ff560eab926ede68ac21e00b5a4a [0,2,0,0,0,0|1,1,0]=4 2574 B13R1.10 CCC(C)NC(=O)c1cc(cs1)C 521fce90c99f77117728089eae68a988 [0,2,0,0,0,0|1,1,0]=4 2575 B13R1.10 CCC(C)NC(=O)c1cc(cs1)Cl 549a76340b18e0c7011df20cb94e20f3 [0,2,0,0,0,0|1,1,0]=4 2576 B13R1.10 CCC(C)NC(=O)c1cc(cs1)F dc04602bfa2966bae124cfa4c1d3e37c [0,2,0,0,0,0|1,1,0]=4 2577 B13R1.10 CCC(C)NC(=O)c1cc(cs1)O 42575badcf7c10d70e279a2c2b8b573d [0,2,0,0,0,0|1,1,0]=4 2578 B13R1.10 CCC(C)NC(=O)c1cc(no1)Br 83b28954f8e8ea27a110a75e9dd28388 [0,2,0,0,0,0|2,0,0]=4 2579 B13R1.10 CCC(C)NC(=O)c1cc(no1)C a83cda3e7b9d79e0f7238a6635dd60a4 [0,2,0,0,0,0|2,0,0]=4 2580 B13R1.10 CCC(C)NC(=O)c1cc(no1)Cl 07576f1815f8e53e8f90817b8e75deb8 [0,2,0,0,0,0|2,0,0]=4 2581 B13R1.10 CCC(C)NC(=O)c1cc(no1)O f45d8318998fc2332edca82c0706898d [0,2,0,0,0,0|2,0,0]=4 2582 B13R1.10 CCC(C)NC(=O)c1ccc(o1)Br dfc44144567418a97397e5c3fc2719ca [0,2,0,0,0,0|1,0,0]=3 2583 B13R1.10 CCC(C)NC(=O)c1ccc(o1)C fc06bd3e98fbe4680303b5008c4a9943 [0,2,0,0,0,0|1,0,0]=3 2584 B13R1.10 CCC(C)NC(=O)c1ccc(o1)Cl 491f11a0235f0cc271379d8b066cb842 [0,2,0,0,0,0|1,0,0]=3 2585 B13R1.10 CCC(C)NC(=O)c1ccc(o1)F 3e90242f449c0bbbdc64140992900da6 [0,2,0,0,0,0|1,0,0]=3 2586 B13R1.10 CCC(C)NC(=O)c1ccc(o1)I 989f7d036768dea89849b62f0f2a074a [0,2,0,0,0,0|1,0,0]=3 2587 B13R1.10 CCC(C)NC(=O)c1ccc(s1)Br c7d121793f7a09d8a190132a203fd119 [0,2,0,0,0,0|1,1,0]=4 2588 B13R1.10 CCC(C)NC(=O)c1ccc(s1)C 82ded55a9af50bd4cd4ac6e01aeb16cc [0,2,0,0,0,0|1,1,0]=4 2589 B13R1.10 CCC(C)NC(=O)c1ccc(s1)Cl 8f54ea8d5928f66d11e1cea901193ff1 [0,2,0,0,0,0|1,1,0]=4 2590 B13R1.10 CCC(C)NC(=O)c1ccc(s1)F 8256bc945d9f73734cb4057534c7db81 [0,2,0,0,0,0|1,1,0]=4 2591 B13R1.10 CCC(C)NC(=O)c1ccc(s1)I d6fe6b25ffdeebc97297aed9fbb32f6f [0,2,0,0,0,0|1,1,0]=4 2592 B13R1.10 CCC(C)NC(=O)c1cnc(o1)Br c5aa0d87d6fe20487a8ac16a11f08b2e [0,2,0,0,0,0|2,0,0]=4 2593 B13R1.10 CCC(C)NC(=O)c1cnc(o1)C 817f099c056bd0a0b38186b32365c613 [0,2,0,0,0,0|2,0,0]=4 2594 B13R1.10 CCC(C)NC(=O)c1cnc(o1)Cl 990359a26c19e57ece2733b92239d0a2 [0,2,0,0,0,0|2,0,0]=4 2595 B13R1.10 CCC(C)NC(=O)c1cnc(o1)I a74c175d5a050a7ce1462c9471e46d94 [0,2,0,0,0,0|2,0,0]=4 2596 B13R1.10 CCC(C)NC(=O)c1cnc(o1)O fdc8a780e81044d148200dfa312463c4 [0,2,0,0,0,0|2,0,0]=4 2597 B13R1.10 CCC(C)NC(=O)c1nc(co1)Br d45eb481a0f1673fea9d3e84c8d011db [0,2,0,0,0,0|2,0,0]=4 2598 B13R1.10 CCC(C)NC(=O)c1nc(co1)C fc06377f90cb3918cfcfa2a5154a8254 [0,2,0,0,0,0|2,0,0]=4 2599 B13R1.10 CCC(C)NC(=O)c1ncc(o1)Br 9fc4f426c5bcd771beca10fd9a1b356b [0,2,0,0,0,0|2,0,0]=4 2600 B13R1.10 CCC(C)NC(=O)c1ncc(o1)C 783260278ec7e275b2ec67606a95ddf4 [0,2,0,0,0,0|2,0,0]=4 2601 B13R1.10 CCC(O)CN(C)c1ccc(o1)C 49fe10b944f6de5ad7971f7311270349 [0,2,0,0,0,0|2,0,0]=4 2602 B13R1.10 CCN(C)CC(=O)c1ccc(s1)Br dd5475748703148bf583025bca85a8f4 [0,2,0,0,0,0|1,1,0]=4 2603 B13R1.10 CCN(C)CC(=O)c1ccc(s1)C 961be6a2f33d99ec0dff4deb1935bb62 [0,2,0,0,0,0|1,1,0]=4 2604 B13R1.10 CCN(C)CC(=O)c1ccc(s1)Cl 006950ebcb0944aebb62ddd4ccf23071 [0,2,0,0,0,0|1,1,0]=4 2605 B13R1.10 CC[C@@H](C)NC(=O)c1cc(co1)Br 8ea135f9b3faa081383a531b2c0cdd8c [0,2,0,0,0,0|1,0,0]=3 2606 B13R1.10 CC[C@@H](C)NC(=O)c1cc(co1)C 03e7160b39ec6d19cb5606b5137c7271 [0,2,0,0,0,0|1,0,0]=3 2607 B13R1.10 CC[C@@H](C)NC(=O)c1cc(co1)Cl e2282b1f6b741781e0b08fb5d3397b2d [0,2,0,0,0,0|1,0,0]=3 2608 B13R1.10 CC[C@@H](C)NC(=O)c1cc(cs1)Br db909563c878ff01327cc87686288047 [0,2,0,0,0,0|1,1,0]=4 2609 B13R1.10 CC[C@@H](C)NC(=O)c1cc(cs1)C 25d8aab0cb90462f9c648cce5555e471 [0,2,0,0,0,0|1,1,0]=4 2610 B13R1.10 CC[C@@H](C)NC(=O)c1cc(cs1)Cl 288015dc5958b9881d98e05f3910900f [0,2,0,0,0,0|1,1,0]=4 2611 B13R1.10 CC[C@@H](C)NC(=O)c1cc(cs1)F 65a650fb4eca671613b2a729b9448dce [0,2,0,0,0,0|1,1,0]=4 2612 B13R1.10 CC[C@@H](C)NC(=O)c1cc(cs1)O dc19daf3e9e4ba3a3ecf6050e55a1512 [0,2,0,0,0,0|1,1,0]=4 2613 B13R1.10 CC[C@@H](C)NC(=O)c1cc(no1)Br c9785930a7285108492ca619989648d5 [0,2,0,0,0,0|2,0,0]=4 2614 B13R1.10 CC[C@@H](C)NC(=O)c1cc(no1)C 37d7d3e9184487fddd05baa72a6a830d [0,2,0,0,0,0|2,0,0]=4 2615 B13R1.10 CC[C@@H](C)NC(=O)c1cc(no1)Cl c817bc23aad5d6e79095e4f46e9eaa21 [0,2,0,0,0,0|2,0,0]=4 2616 B13R1.10 CC[C@@H](C)NC(=O)c1cc(no1)O 0ad29c710d2b54faee2aa9f53b0e009b [0,2,0,0,0,0|2,0,0]=4 2617 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(o1)Br 02e9a95492c3f53ab0edb406f8d4711e [0,2,0,0,0,0|1,0,0]=3 2618 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(o1)C e14295d2621f06cfee3340c4830bbac1 [0,2,0,0,0,0|1,0,0]=3 2619 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(o1)Cl 69ff8be57f182e7fd002dc9f6e22a2e0 [0,2,0,0,0,0|1,0,0]=3 2620 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(o1)F 17404a25c5674a844b70ed371f710c60 [0,2,0,0,0,0|1,0,0]=3 2621 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(o1)I 1f19655050c4746bc0dd75ea0b63b8d0 [0,2,0,0,0,0|1,0,0]=3 2622 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(s1)Br 3586ff7ba9b25bbeb1f4483466159922 [0,2,0,0,0,0|1,1,0]=4 2623 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(s1)C a378045e2bf7ba3f3b6bb5f07607d82c [0,2,0,0,0,0|1,1,0]=4 2624 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(s1)Cl 7a79d8801a481b1d3c79b79ee55f1dd2 [0,2,0,0,0,0|1,1,0]=4 2625 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(s1)F 297deec0f4c3d6e81744e9ec9e60b837 [0,2,0,0,0,0|1,1,0]=4 2626 B13R1.10 CC[C@@H](C)NC(=O)c1ccc(s1)I 4a0fc96bcf5ff3bfdc325f9a7388dfd0 [0,2,0,0,0,0|1,1,0]=4 2627 B13R1.10 CC[C@@H](C)NC(=O)c1cnc(o1)Br 0f617c8e7d43684bcc085bdddf6b9842 [0,2,0,0,0,0|2,0,0]=4 2628 B13R1.10 CC[C@@H](C)NC(=O)c1cnc(o1)C 77ef129c39ec2ba6c836a32027010236 [0,2,0,0,0,0|2,0,0]=4 2629 B13R1.10 CC[C@@H](C)NC(=O)c1cnc(o1)Cl d4480f776ba5cc3eace9adafbb9e70c9 [0,2,0,0,0,0|2,0,0]=4 2630 B13R1.10 CC[C@@H](C)NC(=O)c1cnc(o1)I eea89cb544700d379d43c9b32dd39b2f [0,2,0,0,0,0|2,0,0]=4 2631 B13R1.10 CC[C@@H](C)NC(=O)c1cnc(o1)O 231a544f7ef79ca4766a2836b58f903d [0,2,0,0,0,0|2,0,0]=4 2632 B13R1.10 CC[C@@H](C)NC(=O)c1nc(co1)Br 2bac7fa42be5da6ea8d3ac5bf6cd67c1 [0,2,0,0,0,0|2,0,0]=4 2633 B13R1.10 CC[C@@H](C)NC(=O)c1nc(co1)C e2a43e367489d6384927af9b06b97634 [0,2,0,0,0,0|2,0,0]=4 2634 B13R1.10 CC[C@@H](C)NC(=O)c1ncc(o1)Br 8216d58a3a1cc3f9cd779c2959dd4ba0 [0,2,0,0,0,0|2,0,0]=4 2635 B13R1.10 CC[C@@H](C)NC(=O)c1ncc(o1)C e42303710a4f74de9f74c9f70a8c49ea [0,2,0,0,0,0|2,0,0]=4 2636 B13R1.10 CC[C@H](C)NC(=O)c1cc(co1)Br 76806300c4b33595e25141457e26115e [0,2,0,0,0,0|1,0,0]=3 2637 B13R1.10 CC[C@H](C)NC(=O)c1cc(co1)C df95e5f505b041b9861ab70b167a316a [0,2,0,0,0,0|1,0,0]=3 2638 B13R1.10 CC[C@H](C)NC(=O)c1cc(co1)Cl 716a2d25b750008a6c723cd7debbdeb7 [0,2,0,0,0,0|1,0,0]=3 2639 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)Br aa656a2f2b3269aeaf24559fc01eb7b7 [0,2,0,0,0,0|1,1,0]=4 2640 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)C 5b828829cfc9bb3aca4fda5b94b2a646 [0,2,0,0,0,0|1,1,0]=4 2641 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)Cl a79be55e42fd4d08f68b2e87bf23d3d7 [0,2,0,0,0,0|1,1,0]=4 2642 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)F 891d331631979dad5e3c47f5e57aeda7 [0,2,0,0,0,0|1,1,0]=4 2643 B13R1.10 CC[C@H](C)NC(=O)c1cc(cs1)O cdd75979059e106a4d03238a2ad921bf [0,2,0,0,0,0|1,1,0]=4 2644 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)Br b8cf6fb759e8a7aa83b43284fb44ca02 [0,2,0,0,0,0|2,0,0]=4 2645 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)C 5048e31f5fcf5d382960bb060aeed7c1 [0,2,0,0,0,0|2,0,0]=4 2646 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)Cl 3db65abf163120e654cc74d31a840509 [0,2,0,0,0,0|2,0,0]=4 2647 B13R1.10 CC[C@H](C)NC(=O)c1cc(no1)O 693ef83e38ad7f2541b8072111f7af03 [0,2,0,0,0,0|2,0,0]=4 2648 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)Br f0e12a19bc3e6217989c48b90dc19411 [0,2,0,0,0,0|1,0,0]=3 2649 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)C acf712a3cf1501bd9f27b6c826384653 [0,2,0,0,0,0|1,0,0]=3 2650 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)Cl 7e0d5da57828cbb6b9bb35132d8e8b56 [0,2,0,0,0,0|1,0,0]=3 2651 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)F cd169fe1f660c02ee500635d273f42ef [0,2,0,0,0,0|1,0,0]=3 2652 B13R1.10 CC[C@H](C)NC(=O)c1ccc(o1)I ae6e6a161822c8766e8278a6c8263e53 [0,2,0,0,0,0|1,0,0]=3 2653 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)Br 8e021cf2c96648b5a94a752bdaa498ab [0,2,0,0,0,0|1,1,0]=4 2654 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)C b0712b8b2bd48b9bc6139f6ee7b0ef23 [0,2,0,0,0,0|1,1,0]=4 2655 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)Cl 6e574b612b9bcf88c1c0023ad65d7a77 [0,2,0,0,0,0|1,1,0]=4 2656 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)F 7cda4e1c2ff5276ba93a1c42d07d13b6 [0,2,0,0,0,0|1,1,0]=4 2657 B13R1.10 CC[C@H](C)NC(=O)c1ccc(s1)I e7ab87bc2cd093457c978392d709d04b [0,2,0,0,0,0|1,1,0]=4 2658 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)Br e2ee6bcb3ebf0022eaf116a803a7e7ec [0,2,0,0,0,0|2,0,0]=4 2659 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)C 0d807a2588496a1de6cfb71041edbf37 [0,2,0,0,0,0|2,0,0]=4 2660 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)Cl cb5e8808081a49f1767b75543b8f9a85 [0,2,0,0,0,0|2,0,0]=4 2661 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)I ca1daa7bb41f7d364047da5b142bb651 [0,2,0,0,0,0|2,0,0]=4 2662 B13R1.10 CC[C@H](C)NC(=O)c1cnc(o1)O f66b5ea3336e251dd14525f8271a522d [0,2,0,0,0,0|2,0,0]=4 2663 B13R1.10 CC[C@H](C)NC(=O)c1nc(co1)Br e6226da66c402c659699030e0a841268 [0,2,0,0,0,0|2,0,0]=4 2664 B13R1.10 CC[C@H](C)NC(=O)c1nc(co1)C d5ee61ea812d202d52a60029fa078895 [0,2,0,0,0,0|2,0,0]=4 2665 B13R1.10 CC[C@H](C)NC(=O)c1ncc(o1)Br 1cdafdbf5f21c435d5d08b9cea69bfa9 [0,2,0,0,0,0|2,0,0]=4 2666 B13R1.10 CC[C@H](C)NC(=O)c1ncc(o1)C 0a33e3309181bc9e1b01db99c9389705 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.10 C[C@@H](CO)NC(=O)c1cc(co1)Br 34a07a711baf51cec15f74735035b170 [0,2,0,0,0,0|2,0,0]=4 2668 B13R1.10 C[C@@H](CO)NC(=O)c1cc(co1)Cl 3263332118e2507b01c66272ede5cf31 [0,2,0,0,0,0|2,0,0]=4 2669 B13R1.10 C[C@@H](CO)NC(=O)c1ccc(o1)Br b43d9db9fd95e63f97a900c0c8965ee4 [0,2,0,0,0,0|2,0,0]=4 2670 B13R1.10 C[C@@H](CO)NC(=O)c1ccc(o1)Cl 5231e176a83d3a18d72ce5b054bab42c [0,2,0,0,0,0|2,0,0]=4 2671 B13R1.10 C[C@@H](CO)NC(=O)c1ccc(o1)F 86917f00e76c84a6d18a34a4492e8e74 [0,2,0,0,0,0|2,0,0]=4 2672 B13R1.10 C[C@@H](CO)NC(=O)c1ccc(o1)I c939609cd239b8cbf2b33fa087c1e722 [0,2,0,0,0,0|2,0,0]=4 2673 B13R1.10 C[C@H](CO)NC(=O)c1cc(co1)Br 577f9cf6d53876e5c1487cd3d92f5bc7 [0,2,0,0,0,0|2,0,0]=4 2674 B13R1.10 C[C@H](CO)NC(=O)c1cc(co1)Cl 08649e1d50002c6f73824c39b2c01236 [0,2,0,0,0,0|2,0,0]=4 2675 B13R1.10 C[C@H](CO)NC(=O)c1ccc(o1)Br 39f886a464780e7d295c62432082aba2 [0,2,0,0,0,0|2,0,0]=4 2676 B13R1.10 C[C@H](CO)NC(=O)c1ccc(o1)Cl b916ddbb51b4d7981511169104f3f64c [0,2,0,0,0,0|2,0,0]=4 2677 B13R1.10 C[C@H](CO)NC(=O)c1ccc(o1)F 9b1a10772aa2811bf1919fa8ea19a2cc [0,2,0,0,0,0|2,0,0]=4 2678 B13R1.10 C[C@H](CO)NC(=O)c1ccc(o1)I 290c7fb053caa8a04fecdb039a8b1959 [0,2,0,0,0,0|2,0,0]=4 2679 B13R1.10 Cc1ccc(o1)C(=O)NC(C)CO 2de1328597de99bb90f916a255fa04a4 [0,2,0,0,0,0|2,0,0]=4 2680 B13R1.10 Cc1ccc(o1)C(=O)N[C@@H](C)CO e8b1c90c13b84372a3b47d77443883ae [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.10 Cc1ccc(o1)C(=O)N[C@H](C)CO b8252a8e6f56c48755003b307ab6921c [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.10 Cc1coc(c1)C(=O)NC(C)CO 498c09a7130d73393ffdf22a8e942e42 [0,2,0,0,0,0|2,0,0]=4 2683 B13R1.10 Cc1coc(c1)C(=O)N[C@@H](C)CO 595b65437fcb81264630fe3415bd7af2 [0,2,0,0,0,0|2,0,0]=4 2684 B13R1.10 Cc1coc(c1)C(=O)N[C@H](C)CO 73893dd2e26644be1caec2c739cd6a30 [0,2,0,0,0,0|2,0,0]=4 2685 B13R1.33 C#CCN(C)CC(=O)c1ccco1 1090daa679e4ae7b8f574f6be6de5329 [0,2,0,0,0,0|0,0,2]=4 2686 B13R1.33 C=CCN(C)CC(=O)c1ccco1 be1925829ff834c7f47ed2295fb099a1 [0,2,0,0,0,0|0,0,2]=4 2687 B13R1.33 CC(CC#N)NC(=O)c1ccco1 578f28c03538f3dd5a4f1aa026fec560 [0,2,0,0,0,0|1,0,1]=4 2688 B13R1.33 CC(CCO)NC(=O)c1ccco1 1e2349033ab56e91869a3088b6535977 [0,2,0,0,0,0|1,0,0]=3 2689 B13R1.33 CC(CCO)NC(=O)c1cccs1 aea2cd8d6d70806fdd19cb47b8902197 [0,2,0,0,0,0|1,1,0]=4 2690 B13R1.33 CC(CCO)NC(=O)c1ccno1 a192675e61217c2f5a81c4a69fb5d602 [0,2,0,0,0,0|2,0,0]=4 2691 B13R1.33 CC(CCO)NC(=O)c1cnco1 5f589d96da1e089d69606471c485de4e [0,2,0,0,0,0|2,0,0]=4 2692 B13R1.33 CC(CCO)NC(=O)c1ncco1 46d9b6216d227276e06d91513a7e23bc [0,2,0,0,0,0|2,0,0]=4 2693 B13R1.33 CCCC(C)NC(=O)c1ccco1 6186b6e29f0697c2ccb242a298c5ed8c [0,2,0,0,0,0|0,0,0]=2 2694 B13R1.33 CCCC(C)NC(=O)c1cccs1 1d04fba9c7d5fc959c518b04f991b34f [0,2,0,0,0,0|0,1,0]=3 2695 B13R1.33 CCCC(C)NC(=O)c1ccno1 848e2332ab0a8752b3a0c064b30fd224 [0,2,0,0,0,0|1,0,0]=3 2696 B13R1.33 CCCC(C)NC(=O)c1ccns1 da8a5cdf7ffb1be2ba3566eec1477a7e [0,2,0,0,0,0|1,1,0]=4 2697 B13R1.33 CCCC(C)NC(=O)c1ccoc1 0192f793f20101db30efa492119e0cb8 [0,2,0,0,0,0|2,0,0]=4 2698 B13R1.33 CCCC(C)NC(=O)c1ccon1 0b691dec82aa113c9f37bf671140b91f [0,2,0,0,0,0|2,0,0]=4 2699 B13R1.33 CCCC(C)NC(=O)c1ccsc1 aaeb4953262238307c6b74a68fdb11da [0,2,0,0,0,0|2,0,0]=4 2700 B13R1.33 CCCC(C)NC(=O)c1ccsn1 54aacda46bda62d0bcfd94e5765e74b2 [0,2,0,0,0,0|2,0,0]=4 2701 B13R1.33 CCCC(C)NC(=O)c1cnco1 8946ad5891398f836c45ca7b3eb05106 [0,2,0,0,0,0|1,0,0]=3 2702 B13R1.33 CCCC(C)NC(=O)c1cncs1 6b572b3649c1406d87a4b86a09e857c2 [0,2,0,0,0,0|1,1,0]=4 2703 B13R1.33 CCCC(C)NC(=O)c1cocn1 0e98b557ce90347bc33a07c3dd77d64c [0,2,0,0,0,0|2,0,0]=4 2704 B13R1.33 CCCC(C)NC(=O)c1cscn1 27cc6ba9bb7549bc822bbdeb2204e236 [0,2,0,0,0,0|2,0,0]=4 2705 B13R1.33 CCCC(C)NC(=O)c1ncco1 772f7140f0aea08ee018f3d26fe74763 [0,2,0,0,0,0|1,0,0]=3 2706 B13R1.33 CCCC(C)NC(=O)c1nccs1 9216f4f7eb93ca52c7136d0474ca0b4d [0,2,0,0,0,0|1,1,0]=4 2707 B13R1.33 CCCC(C)NC(=O)c1nnco1 b2277a2652b19d3b7c52d823e91dc859 [0,2,0,0,0,0|2,0,0]=4 2708 B13R1.33 CCCN(C)CC(=O)c1ccco1 0ce3eb1aab53afd9604125c07357f98b [0,2,0,0,0,0|0,0,0]=2 2709 B13R1.33 CCCN(C)CC(=O)c1cccs1 b0453428e8320d5b87d5055c0357f1a8 [0,2,0,0,0,0|0,1,0]=3 2710 B13R1.33 CCCN(C)CC(=O)c1ccsc1 e049acd3f045e3a6bc83443c43856140 [0,2,0,0,0,0|2,0,0]=4 2711 B13R1.33 CCCN(C)CC(=O)c1cocn1 2af30eb4499d84685441a29ecd8656a0 [0,2,0,0,0,0|2,0,0]=4 2712 B13R1.33 CCCN(C)CC(=O)c1ncco1 4411d706767d9da84f235caae5058f8f [0,2,0,0,0,0|1,0,0]=3 2713 B13R1.33 CCCN(C)CC(=O)c1nccs1 ff223bdd8dcba60f0fa7fec3435ad5f0 [0,2,0,0,0,0|1,1,0]=4 2714 B13R1.33 CCCN(C)CC(=O)n1cccn1 6db41d28ff23ff9b0555a7241bd392c2 [0,2,0,0,0,0|2,0,0]=4 2715 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 f98a35c66b93dec2259397efd695147d [0,2,0,0,0,0|0,0,0]=2 2716 B13R1.33 CCC[C@H](C)NC(=O)c1cccs1 441a44a745c7914f1beec3914949c12d [0,2,0,0,0,0|0,1,0]=3 2717 B13R1.33 CCC[C@H](C)NC(=O)c1ccno1 f8b395934e92e9724b2e59e588e12a4e [0,2,0,0,0,0|1,0,0]=3 2718 B13R1.33 CCC[C@H](C)NC(=O)c1ccns1 430e825cd836061bb89991b7f07205f0 [0,2,0,0,0,0|1,1,0]=4 2719 B13R1.33 CCC[C@H](C)NC(=O)c1ccoc1 f2dc803552f30575a34485cfaee2a9f0 [0,2,0,0,0,0|2,0,0]=4 2720 B13R1.33 CCC[C@H](C)NC(=O)c1ccon1 7d51642b4bd72522bd8a96999d3e9440 [0,2,0,0,0,0|2,0,0]=4 2721 B13R1.33 CCC[C@H](C)NC(=O)c1ccsc1 c565e1f897b4994fadcbfc3276e9359a [0,2,0,0,0,0|2,0,0]=4 2722 B13R1.33 CCC[C@H](C)NC(=O)c1ccsn1 8c2b28a141e93bea153515665cf61d65 [0,2,0,0,0,0|2,0,0]=4 2723 B13R1.33 CCC[C@H](C)NC(=O)c1cnco1 ad0dc8caa4d4deb128861a8af40ed954 [0,2,0,0,0,0|1,0,0]=3 2724 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 0b666c6d6e78018f4fc94f5c23ac4dc1 [0,2,0,0,0,0|1,1,0]=4 2725 B13R1.33 CCC[C@H](C)NC(=O)c1cocn1 47042ea5f5293f2c28a0540656ef393e [0,2,0,0,0,0|2,0,0]=4 2726 B13R1.33 CCC[C@H](C)NC(=O)c1cscn1 508582640b9bb19f7c55367f9f723c2c [0,2,0,0,0,0|2,0,0]=4 2727 B13R1.33 CCC[C@H](C)NC(=O)c1ncco1 579ed77c660104b7e4947ad1b733aa87 [0,2,0,0,0,0|1,0,0]=3 2728 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 7a32a554e54e32c30b8bcf45e22a0bd4 [0,2,0,0,0,0|1,1,0]=4 2729 B13R1.33 CCC[C@H](C)NC(=O)c1nnco1 d79f09a1a0df8597c28712333c9720af [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.33 CN(CC#N)CC(=O)c1ccco1 6a89058cc3ab54f3e095f9174915d7be [0,2,0,0,0,0|1,0,1]=4 2731 B13R1.33 CN(CCF)CC(=O)c1ccco1 d4bc894c0fce91be0e2478069039df7f [0,2,0,0,0,0|1,0,0]=3 2732 B13R1.33 CN(CCF)CC(=O)c1cccs1 fe960bc71754e3a3d4cdd8eab80cdac7 [0,2,0,0,0,0|1,1,0]=4 2733 B13R1.33 CN(CCF)CC(=O)c1ncco1 460b40ea8c5b7512e00253aaee5d5489 [0,2,0,0,0,0|2,0,0]=4 2734 B13R1.33 CN(CCO)CC(=O)c1ccco1 4a72047bf83ef9417fef1836cea2b3ce [0,2,0,0,0,0|1,0,0]=3 2735 B13R1.33 CN(CCO)CC(=O)c1cccs1 c2173737a5a2dad82023a6c4daad710d [0,2,0,0,0,0|1,1,0]=4 2736 B13R1.33 CN(CCO)CC(=O)c1ncco1 afcaa69ec9ef92208779c4bdbf70e4c3 [0,2,0,0,0,0|2,0,0]=4 2737 B13R1.33 COCC(C)NC(=O)c1ccco1 059377d67b76e1a4c78d5b144a1dcdf9 [0,2,0,0,0,0|1,0,0]=3 2738 B13R1.33 COCC(C)NC(=O)c1cccs1 b5323bb26459a0324e4bed0012bd9c65 [0,2,0,0,0,0|1,1,0]=4 2739 B13R1.33 COCC(C)NC(=O)c1ccno1 9caef6d516c4cffaac5740b276ed5d7d [0,2,0,0,0,0|2,0,0]=4 2740 B13R1.33 COCC(C)NC(=O)c1cnco1 0aba84a57e30b8f73615cba7c2b5a0d8 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.33 COCC(C)NC(=O)c1ncco1 2e22eff09723f22f48774da2a7a73d63 [0,2,0,0,0,0|2,0,0]=4 2742 B13R1.33 COC[C@@H](C)NC(=O)c1ccco1 7c12a8c27240f818e150a6905cbf5a3d [0,2,0,0,0,0|1,0,0]=3 2743 B13R1.33 COC[C@@H](C)NC(=O)c1cccs1 4bb5836444c39269b2fcf33a5ec9aeae [0,2,0,0,0,0|1,1,0]=4 2744 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 4f2be8f6c76f634bfed73878c9c9cdc9 [0,2,0,0,0,0|2,0,0]=4 2745 B13R1.33 COC[C@@H](C)NC(=O)c1cnco1 686997d9a437c818e42ad5019cd8117d [0,2,0,0,0,0|2,0,0]=4 2746 B13R1.33 COC[C@@H](C)NC(=O)c1ncco1 4d51104d511fddde25384be7eab9bd55 [0,2,0,0,0,0|2,0,0]=4 2747 B13R1.33 COC[C@H](C)NC(=O)c1ccco1 e0b0fba73a43a9d0641737e1913d4667 [0,2,0,0,0,0|1,0,0]=3 2748 B13R1.33 COC[C@H](C)NC(=O)c1cccs1 749bbd9cfc88345746ed7177f53b9d50 [0,2,0,0,0,0|1,1,0]=4 2749 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 00dfdcae2426e97a7b4081b2c28c4f82 [0,2,0,0,0,0|2,0,0]=4 2750 B13R1.33 COC[C@H](C)NC(=O)c1cnco1 53e6bc2d99f9d8be52a5dbbfa024cb84 [0,2,0,0,0,0|2,0,0]=4 2751 B13R1.33 COC[C@H](C)NC(=O)c1ncco1 88b0fc6cfcd778b3b88f9ab6efd226af [0,2,0,0,0,0|2,0,0]=4 2752 B13R1.33 C[C@@H](CCO)NC(=O)c1ccco1 9ebe3b00885affbd2e6078f10f779cd7 [0,2,0,0,0,0|1,0,0]=3 2753 B13R1.33 C[C@@H](CCO)NC(=O)c1cccs1 4d83c01440e824068cf85e1478934e49 [0,2,0,0,0,0|1,1,0]=4 2754 B13R1.33 C[C@@H](CCO)NC(=O)c1ccno1 9d974755a071979f45376a0178a50ef8 [0,2,0,0,0,0|2,0,0]=4 2755 B13R1.33 C[C@@H](CCO)NC(=O)c1cnco1 4a1f549f44f87bf6b6a1c5799dd8ce83 [0,2,0,0,0,0|2,0,0]=4 2756 B13R1.33 C[C@@H](CCO)NC(=O)c1ncco1 112580b07f7f9271153bc8d3095b719c [0,2,0,0,0,0|2,0,0]=4 2757 B13R1.33 C[C@H](CCO)NC(=O)c1ccco1 f533cf0758892abb93fdade94ceba083 [0,2,0,0,0,0|1,0,0]=3 2758 B13R1.33 C[C@H](CCO)NC(=O)c1cccs1 9d23bccae65135903a0f70ef9435a36d [0,2,0,0,0,0|1,1,0]=4 2759 B13R1.33 C[C@H](CCO)NC(=O)c1ccno1 c376b9ec1d081cecf4d8d08b78c17c37 [0,2,0,0,0,0|2,0,0]=4 2760 B13R1.33 C[C@H](CCO)NC(=O)c1cnco1 7a6e91afa95e9b92d97bdf908e2422dc [0,2,0,0,0,0|2,0,0]=4 2761 B13R1.33 C[C@H](CCO)NC(=O)c1ncco1 c210ccbc0d45d2882886aa1c35ec5f59 [0,2,0,0,0,0|2,0,0]=4 2762 B13R1.65 C=C[C@@H](CO)NC(=O)c1ccco1 9434f1e5e0502e9e742af15d1239af2e [0,2,0,0,0,0|2,0,0]=4 2763 B13R1.65 CCC(CC)NC(=O)c1ccco1 6bed6089b12b9fb4ab374156b23b2ccf [0,2,0,0,0,0|1,0,0]=3 2764 B13R1.65 CCC(CC)NC(=O)c1cccs1 d3676b7a9507764adda3aff8981fa62e [0,2,0,0,0,0|1,1,0]=4 2765 B13R1.65 CCC(CC)NC(=O)c1ccno1 a32a88b219ea8ba9110eaf4316d062f0 [0,2,0,0,0,0|2,0,0]=4 2766 B13R1.65 CCC(CC)NC(=O)c1cnco1 7d2903e0a721efde30e32ef2266338b4 [0,2,0,0,0,0|2,0,0]=4 2767 B13R1.65 CCC(CC)NC(=O)c1ncco1 9e0ea180287dc25f530e7b4dc8025814 [0,2,0,0,0,0|2,0,0]=4 2768 B13R1.65 CCC(CO)NC(=O)c1ccco1 92e16bdeececc9898a313e47231dfe96 [0,2,0,0,0,0|1,0,0]=3 2769 B13R1.65 CCC(CO)NC(=O)c1cccs1 3591c34fb1b945d80da3c9ecf645a716 [0,2,0,0,0,0|1,1,0]=4 2770 B13R1.65 CCC(CO)NC(=O)c1ccno1 5d55ca41f77e8849804ad21d3b79bb9c [0,2,0,0,0,0|2,0,0]=4 2771 B13R1.65 CCC(CO)NC(=O)c1cnco1 8f2832ba592d959a228d91dd8bde2ae4 [0,2,0,0,0,0|2,0,0]=4 2772 B13R1.65 CCC(CO)NC(=O)c1ncco1 ce06442e680df089c3911ff8b4dc22d3 [0,2,0,0,0,0|2,0,0]=4 2773 B13R1.65 CC[C@@H](CO)NC(=O)c1ccco1 dc222380748a4310590ea572b45f38d2 [0,2,0,0,0,0|1,0,0]=3 2774 B13R1.65 CC[C@@H](CO)NC(=O)c1cccs1 5017633d0ee1717c0ef175dd6d6e0cfc [0,2,0,0,0,0|1,1,0]=4 2775 B13R1.65 CC[C@@H](CO)NC(=O)c1ccno1 cad4aaeff071e79db9ad324e7f595547 [0,2,0,0,0,0|2,0,0]=4 2776 B13R1.65 CC[C@@H](CO)NC(=O)c1cnco1 629526a92c0708a48724ba6957d75861 [0,2,0,0,0,0|2,0,0]=4 2777 B13R1.65 CC[C@@H](CO)NC(=O)c1ncco1 38195b8815b2643b1de9064c25b267b1 [0,2,0,0,0,0|2,0,0]=4 2778 B13R1.65 CC[C@H](CO)NC(=O)c1ccco1 d3e3e9196157eb34b76a58524bef4aff [0,2,0,0,0,0|1,0,0]=3 2779 B13R1.65 CC[C@H](CO)NC(=O)c1cccs1 e12474a534cbac92b2e003e1a2a6f312 [0,2,0,0,0,0|1,1,0]=4 2780 B13R1.65 CC[C@H](CO)NC(=O)c1ccno1 32a57c92091a12c2428e9bccca890535 [0,2,0,0,0,0|2,0,0]=4 2781 B13R1.65 CC[C@H](CO)NC(=O)c1cnco1 491a440bb2f100cb31f3498dc1729a5b [0,2,0,0,0,0|2,0,0]=4 2782 B13R1.65 CC[C@H](CO)NC(=O)c1ncco1 bfa41aecb6c3f9985df6d383fdde6b45 [0,2,0,0,0,0|2,0,0]=4 2783 B13R1.65 O=C(NC(CO)CO)c1ccco1 add78216b77b3528855f5f05be6db1a1 [0,2,0,0,0,0|2,0,0]=4 2784 B13R1.83 CC(CO)N(C)C(=O)c1ccco1 4d4409535aec77666095eb39998564db [0,2,0,0,0,0|2,0,0]=4 2785 B13R1.83 CCC(C)N(C)C(=O)c1ccco1 deff79efdb2ee83d765f02f131fd0f44 [0,2,0,0,0,0|1,0,0]=3 2786 B13R1.83 CCC(C)N(C)C(=O)c1cccs1 140c43cb36f6e81ee923b7e73a52a8f6 [0,2,0,0,0,0|1,1,0]=4 2787 B13R1.83 CCC(C)N(C)C(=O)c1ccno1 b6150759f6840744763e35c9751b947e [0,2,0,0,0,0|2,0,0]=4 2788 B13R1.83 CCC(C)N(C)C(=O)c1cnco1 527717d60d834753798e7ec1a7f62f03 [0,2,0,0,0,0|2,0,0]=4 2789 B13R1.83 CCC(C)N(C)C(=O)c1ncco1 e63cc2e14b6aa6480a8ab1931178d023 [0,2,0,0,0,0|2,0,0]=4 2790 B13R1.83 CCN(C)C(=O)C(=O)c1ccco1 b1d84ff14d987a0022bf70468e3fab66 [0,2,0,0,0,0|1,0,1]=4 2791 B13R1.83 C[C@@H](CO)N(C)C(=O)c1ccco1 5add081fd748ce1b91c46646b83a4db5 [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.83 C[C@H](CO)N(C)C(=O)c1ccco1 e59ba4ed1a4e9f7d2083b4d2082bd659 [0,2,0,0,0,0|2,0,0]=4 2793 B13R1.251 CC(C)(CF)NC(=O)c1ccco1 f683ce34f410dddf932689520fb557d1 [0,2,0,0,0,0|2,0,0]=4 2794 B13R1.251 CC(C)(CO)NC(=O)c1ccco1 3f1791378d243585d37f54bcdcfd23cc [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.251 CCC(C)(C)NC(=O)c1ccco1 9dad6043293fe1d17886c814f49b531c [0,2,0,0,0,0|1,0,0]=3 2796 B13R1.251 CCC(C)(C)NC(=O)c1cccs1 bc623d5bb1c30d66dc4a62bb280a55c9 [0,2,0,0,0,0|1,1,0]=4 2797 B13R1.251 CCC(C)(C)NC(=O)c1ccno1 70b683b9d8395df83f75254d857d6687 [0,2,0,0,0,0|2,0,0]=4 2798 B13R1.251 CCC(C)(C)NC(=O)c1cnco1 d627eea1c77b8db5e1583b0bd07a7cc1 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.251 CCC(C)(C)NC(=O)c1ncco1 f0c4261a890ad95c29c292ff101f4d46 [0,2,0,0,0,0|2,0,0]=4 2800 B13R1.339 CC(C)C(C)NC(=O)c1ccco1 f67f459d1f1bf124aac14b3614405d42 [0,2,0,0,0,0|1,0,0]=3 2801 B13R1.339 CC(C)C(C)NC(=O)c1cccs1 294b265d7cd7c7f16a00a16ab2967fc1 [0,2,0,0,0,0|1,1,0]=4 2802 B13R1.339 CC(C)C(C)NC(=O)c1ccno1 939c45f7a63008e2fe994f330632d9fc [0,2,0,0,0,0|2,0,0]=4 2803 B13R1.339 CC(C)C(C)NC(=O)c1cnco1 c2ef8896ca237d57667388c1fba5f1be [0,2,0,0,0,0|2,0,0]=4 2804 B13R1.339 CC(C)C(C)NC(=O)c1ncco1 1879ee359527530323df6cc73befd616 [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.339 CC(C)N(C)CC(=O)c1ccco1 9b87fa5ffe75ed04cafc3f017707dd60 [0,2,0,0,0,0|1,0,0]=3 2806 B13R1.339 CC(C)N(C)CC(=O)c1cccs1 6fa3e0445bcb51362d92d2d05f195862 [0,2,0,0,0,0|1,1,0]=4 2807 B13R1.339 CC(C)[C@@H](C)NC(=O)c1ccco1 d10ff527e763694f72b42b3c650177fb [0,2,0,0,0,0|1,0,0]=3 2808 B13R1.339 CC(C)[C@@H](C)NC(=O)c1cccs1 a65be02f1233d5d1d4a0aa1239749b5b [0,2,0,0,0,0|1,1,0]=4 2809 B13R1.339 CC(C)[C@@H](C)NC(=O)c1ccno1 474cb475aa721e4eb55a0b6f49862f7c [0,2,0,0,0,0|2,0,0]=4 2810 B13R1.339 CC(C)[C@@H](C)NC(=O)c1cnco1 cb1c957d4256f09be98907e4fe3b46ef [0,2,0,0,0,0|2,0,0]=4 2811 B13R1.339 CC(C)[C@@H](C)NC(=O)c1ncco1 12f33774c233da588b48c304fe0a908c [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.339 CC(C)[C@H](C)NC(=O)c1ccco1 704a110c7b0097fec16678a95e66644a [0,2,0,0,0,0|1,0,0]=3 2813 B13R1.339 CC(C)[C@H](C)NC(=O)c1cccs1 19530cf1b3d9ba56d81779436515e3b1 [0,2,0,0,0,0|1,1,0]=4 2814 B13R1.339 CC(C)[C@H](C)NC(=O)c1ccno1 7f098228899f0a52a7d731a840da693d [0,2,0,0,0,0|2,0,0]=4 2815 B13R1.339 CC(C)[C@H](C)NC(=O)c1cnco1 784cd5f1ec8c9e32863f7c468333deb6 [0,2,0,0,0,0|2,0,0]=4 2816 B13R1.339 CC(C)[C@H](C)NC(=O)c1ncco1 c3a56074735d99722a760bffdf2cf72b [0,2,0,0,0,0|2,0,0]=4 2817 B13R1.339 CC(O)C(C)NC(=O)c1ccco1 622a4ff46f6d317fdcf6f1de22350515 [0,2,0,0,0,0|1,0,0]=3 2818 B13R1.339 CC(O)C(C)NC(=O)c1cccs1 b320370b9df1e8cf779bdce180910d33 [0,2,0,0,0,0|1,1,0]=4 2819 B13R1.339 CC(O)C(C)NC(=O)c1ccno1 f32a9e1177ab4950fa7aaef45f1aae09 [0,2,0,0,0,0|2,0,0]=4 2820 B13R1.339 CC(O)C(C)NC(=O)c1cnco1 52f197289bf8dc95ca048a81f55ce15c [0,2,0,0,0,0|2,0,0]=4 2821 B13R1.339 CC(O)C(C)NC(=O)c1ncco1 0d9ab8d97e9b9641d543e221f300d6b6 [0,2,0,0,0,0|2,0,0]=4 2822 B13R1.339 C[C@@H](NC(=O)c1ccco1)C(F)F 33c2cd4c87d87e06068fb8acf26301b4 [0,2,0,0,0,0|2,0,0]=4 2823 B13R1.339 C[C@H](NC(=O)c1ccco1)C(F)F 09566eaf43ff5a13208cca07bbf1f36a [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.439 CC(CO)NC(=O)c1occc1Br 8ab377cc14ca4b25e410d6324dac3621 [0,2,0,0,0,0|2,0,0]=4 2825 B13R1.439 CCC(C)NC(=O)c1cccn1C 6b2e8fec114597bb1c0da65c9cfc1b39 [0,2,0,0,0,0|2,0,0]=4 2826 B13R1.439 CCC(C)NC(=O)c1occc1Br 1a13707f4f85b1603cfb4929e426701a [0,2,0,0,0,0|1,0,0]=3 2827 B13R1.439 CCC(C)NC(=O)c1occc1C 5d6c360a174f9124ca7d632336f35673 [0,2,0,0,0,0|1,0,0]=3 2828 B13R1.439 CCC(C)NC(=O)c1ocnc1Br e7fa708bc4439352597926238cb09933 [0,2,0,0,0,0|2,0,0]=4 2829 B13R1.439 CCC(C)NC(=O)c1ocnc1C cabfdbee9ca0671becad026ae553732e [0,2,0,0,0,0|2,0,0]=4 2830 B13R1.439 CCC(C)NC(=O)c1oncc1C f440bd07e6391798a1f310a3b811064e [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.439 CCC(C)NC(=O)c1sccc1Br 9db419bfca67dd7d9d3cf1b81b8ac368 [0,2,0,0,0,0|1,1,0]=4 2832 B13R1.439 CCC(C)NC(=O)c1sccc1C f26d61efff76544805a0a6fe23709754 [0,2,0,0,0,0|1,1,0]=4 2833 B13R1.439 CCC(C)NC(=O)c1sccc1Cl 5a6a653940389625e6391bdb1f5a5b01 [0,2,0,0,0,0|1,1,0]=4 2834 B13R1.439 CCC(C)NC(=O)c1sccc1F 35d6f2bc7188c354a040adce1fafe334 [0,2,0,0,0,0|1,1,0]=4 2835 B13R1.439 CCC(C)NC(=O)c1sccc1I 8cc0f26c6aa1d68a51a79d975bb8bf6f [0,2,0,0,0,0|1,1,0]=4 2836 B13R1.439 CCC(C)NC(=O)c1sccc1O 562bd3a1dc4356d99244c2c288f4ebf1 [0,2,0,0,0,0|1,1,0]=4 2837 B13R1.439 CCC(C)NC(=O)c1sccc1S 5a82bf65eb0a901c390d3c97af915edf [0,2,0,0,0,0|1,1,0]=4 2838 B13R1.439 CC[C@@H](C)NC(=O)c1cccn1C a14c10f2678ebcaf4a9c4c2c8748b5b0 [0,2,0,0,0,0|2,0,0]=4 2839 B13R1.439 CC[C@@H](C)NC(=O)c1occc1Br 9b25e0353d7b0615b6e53fa3626c918d [0,2,0,0,0,0|1,0,0]=3 2840 B13R1.439 CC[C@@H](C)NC(=O)c1occc1C fa485f5959c11c95706dd241aa92c49b [0,2,0,0,0,0|1,0,0]=3 2841 B13R1.439 CC[C@@H](C)NC(=O)c1ocnc1Br f13c9d38c5be6a4abb97b56ce6bbdb2a [0,2,0,0,0,0|2,0,0]=4 2842 B13R1.439 CC[C@@H](C)NC(=O)c1ocnc1C 72d436d6b59697de9f1bb7acebaeae9d [0,2,0,0,0,0|2,0,0]=4 2843 B13R1.439 CC[C@@H](C)NC(=O)c1oncc1C b38b211f4d98455235a089cbc737c61c [0,2,0,0,0,0|2,0,0]=4 2844 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1Br cc6d245d7945da38a3e21f651c56c093 [0,2,0,0,0,0|1,1,0]=4 2845 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1C 9b9024c2259f26856b04ed81f49201ee [0,2,0,0,0,0|1,1,0]=4 2846 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1Cl 4f99e19553fdf46189f287393cc1ca9b [0,2,0,0,0,0|1,1,0]=4 2847 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1F 079ff3c8af6a7a15f1b47852f27ce9c3 [0,2,0,0,0,0|1,1,0]=4 2848 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1I 197e0595937de5ab4c1904d49c222868 [0,2,0,0,0,0|1,1,0]=4 2849 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1O bd178dc90df3736c2b61c180720bf929 [0,2,0,0,0,0|1,1,0]=4 2850 B13R1.439 CC[C@@H](C)NC(=O)c1sccc1S 5b89942312077d40a36c3b52cec65e26 [0,2,0,0,0,0|1,1,0]=4 2851 B13R1.439 CC[C@H](C)NC(=O)c1cccn1C 44552168d00e491b05c9cc9341d7ba7e [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.439 CC[C@H](C)NC(=O)c1occc1Br 92da321f70796102d90e8dc219c58570 [0,2,0,0,0,0|1,0,0]=3 2853 B13R1.439 CC[C@H](C)NC(=O)c1occc1C 433a387ee4eef342ae9d4a0bd72f39f0 [0,2,0,0,0,0|1,0,0]=3 2854 B13R1.439 CC[C@H](C)NC(=O)c1ocnc1Br fa768c9147c0ffd30b314852fc6cad47 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.439 CC[C@H](C)NC(=O)c1ocnc1C a4e84f12039b9aa96cf50cfcfeab2455 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.439 CC[C@H](C)NC(=O)c1oncc1C 450e6720b94a8b3b7990841414b4631e [0,2,0,0,0,0|2,0,0]=4 2857 B13R1.439 CC[C@H](C)NC(=O)c1sccc1Br 8d577a6add8a1f7c48f8dc57a57a6a53 [0,2,0,0,0,0|1,1,0]=4 2858 B13R1.439 CC[C@H](C)NC(=O)c1sccc1C ae1f4f2070aba2ec9d639679d365f1c3 [0,2,0,0,0,0|1,1,0]=4 2859 B13R1.439 CC[C@H](C)NC(=O)c1sccc1Cl 19f11424fa5af0f1c0c9016121feed9d [0,2,0,0,0,0|1,1,0]=4 2860 B13R1.439 CC[C@H](C)NC(=O)c1sccc1F c6b2f341266c7d5e705098a6256a5c62 [0,2,0,0,0,0|1,1,0]=4 2861 B13R1.439 CC[C@H](C)NC(=O)c1sccc1I 7e97a05ab52dce16c96bcebd0d136c3e [0,2,0,0,0,0|1,1,0]=4 2862 B13R1.439 CC[C@H](C)NC(=O)c1sccc1O aac62f66dc3574b64113f255ed31706f [0,2,0,0,0,0|1,1,0]=4 2863 B13R1.439 CC[C@H](C)NC(=O)c1sccc1S 382f4b05afb0e564970b22e9ebbaa8cf [0,2,0,0,0,0|1,1,0]=4 2864 B13R1.439 C[C@@H](CO)NC(=O)c1occc1Br 5875e81afd84e9fcfb38adb177197266 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.439 C[C@H](CO)NC(=O)c1occc1Br d7aea3f37df63a436ba9a5597ce313ee [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.439 Cc1ccoc1C(=O)NC(C)CO f5a8fd005486d5a3940b8a1a33ef8a9e [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.439 Cc1ccoc1C(=O)N[C@@H](C)CO 1d2402277759efc60175716d0d26d3e4 [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.439 Cc1ccoc1C(=O)N[C@H](C)CO c75fc32186fa72d2a0c061f00f48c8c2 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.23 C#CCCNC(=O)c1cc(co1)Br e05e9dcbf14a1fa2af9e1cb14dd6f4af [0,2,0,0,0,0|0,0,2]=4 2870 B13R1.23 C#CCCNC(=O)c1cc(co1)C 0230a10aa78a3117e76b966a20809bf8 [0,2,0,0,0,0|0,0,2]=4 2871 B13R1.23 C#CCCNC(=O)c1cc(co1)Cl 36b9ece6b2bdea734fc3b050c8df861d [0,2,0,0,0,0|0,0,2]=4 2872 B13R1.23 C#CCCNC(=O)c1ccc(o1)Br 7571af795e126d5ef91ce1d28bf22337 [0,2,0,0,0,0|0,0,2]=4 2873 B13R1.23 C#CCCNC(=O)c1ccc(o1)C 797dfeddf8d203c517e4c803916a6fa1 [0,2,0,0,0,0|0,0,2]=4 2874 B13R1.23 C#CCCNC(=O)c1ccc(o1)Cl 66e5edb514df0f5409881d98d698c704 [0,2,0,0,0,0|0,0,2]=4 2875 B13R1.23 C#CCCNC(=O)c1ccc(o1)F 3f3b385d0bf4052e52edd3be1490ab83 [0,2,0,0,0,0|0,0,2]=4 2876 B13R1.23 C#CCCNC(=O)c1ccc(o1)I b8f3275617ffa68929ec32011fe229ee [0,2,0,0,0,0|0,0,2]=4 2877 B13R1.23 C#CCNCC(=O)c1ccc(o1)Br d010889749574816cbd00e9ba6bdf609 [0,2,0,0,0,0|0,0,2]=4 2878 B13R1.23 C#CCNCC(=O)c1ccc(o1)C 2c1f518bc6463477085ab3c56b32451e [0,2,0,0,0,0|0,0,2]=4 2879 B13R1.23 C#CCOCC(=O)c1ccc(o1)C 269ba0f1d3925115ed13630a9d7e9cce [0,2,0,0,0,0|0,0,2]=4 2880 B13R1.23 C=CCCNC(=O)c1cc(co1)Br 5f28db1c062d9364248927d72e33339e [0,2,0,0,0,0|0,0,2]=4 2881 B13R1.23 C=CCCNC(=O)c1cc(co1)C 6b798009a62582da9d2b1042b888d989 [0,2,0,0,0,0|0,0,2]=4 2882 B13R1.23 C=CCCNC(=O)c1cc(co1)Cl 8a5b23da64746bcbeb3726c6745f500b [0,2,0,0,0,0|0,0,2]=4 2883 B13R1.23 C=CCCNC(=O)c1ccc(o1)Br db4e1c156a390ca24dc93a356586c3d6 [0,2,0,0,0,0|0,0,2]=4 2884 B13R1.23 C=CCCNC(=O)c1ccc(o1)C da0726e577a1809fa1041a3067486ecb [0,2,0,0,0,0|0,0,2]=4 2885 B13R1.23 C=CCCNC(=O)c1ccc(o1)Cl ef52c23cfde11f96f7b468a109bd62c3 [0,2,0,0,0,0|0,0,2]=4 2886 B13R1.23 C=CCCNC(=O)c1ccc(o1)F d0a41e4243a4688cac02e2de8cd1d625 [0,2,0,0,0,0|0,0,2]=4 2887 B13R1.23 C=CCCNC(=O)c1ccc(o1)I 4d7bf8b8735d4a868b2a1fab2754ceb3 [0,2,0,0,0,0|0,0,2]=4 2888 B13R1.23 CC#CCNC(=O)c1cc(co1)Br f3322a6c8ea5ae3ef41151d935c8163d [0,2,0,0,0,0|0,0,2]=4 2889 B13R1.23 CC#CCNC(=O)c1cc(co1)C ea8188b14afffa9c87e6469109ee6670 [0,2,0,0,0,0|0,0,2]=4 2890 B13R1.23 CC#CCNC(=O)c1cc(co1)Cl d19a520a01119879c706e951d20550d8 [0,2,0,0,0,0|0,0,2]=4 2891 B13R1.23 CC#CCNC(=O)c1ccc(o1)Br 8ac9cef26b17f6731c738c8f5f0a5d94 [0,2,0,0,0,0|0,0,2]=4 2892 B13R1.23 CC#CCNC(=O)c1ccc(o1)C 414c212730790edef134066db208e3bf [0,2,0,0,0,0|0,0,2]=4 2893 B13R1.23 CC#CCNC(=O)c1ccc(o1)Cl f38b8b65ecf6a572c96612396e710c97 [0,2,0,0,0,0|0,0,2]=4 2894 B13R1.23 CC#CCNC(=O)c1ccc(o1)F f994cc17ed9caf86db1cfbdef4821521 [0,2,0,0,0,0|0,0,2]=4 2895 B13R1.23 CC#CCNC(=O)c1ccc(o1)I 86f87cece682170e8ecd10d8dfafc7a6 [0,2,0,0,0,0|0,0,2]=4 2896 B13R1.23 CC=CCNC(=O)c1cc(co1)Br 6818ad91ac3497281fb146656c017de4 [0,2,0,0,0,0|0,0,2]=4 2897 B13R1.23 CC=CCNC(=O)c1cc(co1)C fe91d78b15e8705d9377fe99400d95aa [0,2,0,0,0,0|0,0,2]=4 2898 B13R1.23 CC=CCNC(=O)c1cc(co1)Cl c0d4995bd8e5acf8c11c875d0e4b8d42 [0,2,0,0,0,0|0,0,2]=4 2899 B13R1.23 CC=CCNC(=O)c1ccc(o1)Br d3e2edcebd8eb0b46d7f5cffba7aa2e8 [0,2,0,0,0,0|0,0,2]=4 2900 B13R1.23 CC=CCNC(=O)c1ccc(o1)C 1e4116997ba83d91ff5bcb7ee9d578b8 [0,2,0,0,0,0|0,0,2]=4 2901 B13R1.23 CC=CCNC(=O)c1ccc(o1)Cl 4084c4b6a757a4c11836f551e47d0324 [0,2,0,0,0,0|0,0,2]=4 2902 B13R1.23 CC=CCNC(=O)c1ccc(o1)F 5e6b01af3d117dccf4b85695f7f29ae3 [0,2,0,0,0,0|0,0,2]=4 2903 B13R1.23 CC=CCNC(=O)c1ccc(o1)I bc9e3e25ff95bf12b03aa867cf89ac77 [0,2,0,0,0,0|0,0,2]=4 2904 B13R1.23 CCCCCN(C)c1ccc(o1)C 29d535249c8cd172c01b05e89ab2a92b [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.23 CCCCNC(=O)C1=CC(=O)CC1 8338769515933a6f477901951259b70b [0,2,0,0,0,0|1,0,1]=4 2906 B13R1.23 CCCCNC(=O)c1cc(co1)Br 6508f460d6f974733e55efaf2a98a4b3 [0,2,0,0,0,0|0,0,0]=2 2907 B13R1.23 CCCCNC(=O)c1cc(co1)C ae3c6971ffa5fc20425308456183b919 [0,2,0,0,0,0|0,0,0]=2 2908 B13R1.23 CCCCNC(=O)c1cc(co1)Cl c5905a29018a4e50fa006450d130e8c7 [0,2,0,0,0,0|0,0,0]=2 2909 B13R1.23 CCCCNC(=O)c1cc(cs1)Br 65dc62e1e5ad5412297484b155469c7f [0,2,0,0,0,0|0,1,0]=3 2910 B13R1.23 CCCCNC(=O)c1cc(cs1)C 0bd0fc18390f8561a2b0750ab2c823c4 [0,2,0,0,0,0|0,1,0]=3 2911 B13R1.23 CCCCNC(=O)c1cc(cs1)Cl c2501e19bcf95df664b869ba8b7ae2bf [0,2,0,0,0,0|0,1,0]=3 2912 B13R1.23 CCCCNC(=O)c1cc(cs1)F 700b5321536a5cc91e7722163fbed127 [0,2,0,0,0,0|0,1,0]=3 2913 B13R1.23 CCCCNC(=O)c1cc(cs1)O 6909a83405752888242a5eb22d845077 [0,2,0,0,0,0|0,1,0]=3 2914 B13R1.23 CCCCNC(=O)c1cc(no1)Br a30753aef36cac6038d834df12a5dac0 [0,2,0,0,0,0|1,0,0]=3 2915 B13R1.23 CCCCNC(=O)c1cc(no1)C 5721f8bddf8dfd28d29c1a2e5e26b2e9 [0,2,0,0,0,0|1,0,0]=3 2916 B13R1.23 CCCCNC(=O)c1cc(no1)Cl 670329ca0ba07023db3cf600ed11b628 [0,2,0,0,0,0|1,0,0]=3 2917 B13R1.23 CCCCNC(=O)c1cc(no1)O d24eab94e4df3658b68c29a51064ecc8 [0,2,0,0,0,0|1,0,0]=3 2918 B13R1.23 CCCCNC(=O)c1cc(ns1)Br 56f714763f996e1ae54cc1cc02bdbd2c [0,2,0,0,0,0|1,1,0]=4 2919 B13R1.23 CCCCNC(=O)c1cc(ns1)C 1c57b77b264e47bcef4afc44ed04f786 [0,2,0,0,0,0|1,1,0]=4 2920 B13R1.23 CCCCNC(=O)c1cc(ns1)Cl 5eddfb71aeff52ace9940fe31490b090 [0,2,0,0,0,0|1,1,0]=4 2921 B13R1.23 CCCCNC(=O)c1cc(on1)C 279e149c8fb35bec698ba6e93666041e [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.23 CCCCNC(=O)c1cc(on1)Cl 920c0b591d50e23b36cd2bc7b7720da6 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.23 CCCCNC(=O)c1cc(on1)I 16f15e5f3b058c84f9cc5de303db2e02 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.23 CCCCNC(=O)c1cc(sn1)Br 4e35a790ec6f9c2bd773ad58acedf84e [0,2,0,0,0,0|2,0,0]=4 2925 B13R1.23 CCCCNC(=O)c1cc(sn1)C 89897fc2c55dbc098ca53d89690c0af5 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.23 CCCCNC(=O)c1ccc(o1)Br 7d4ed6bfb6478f9bb45cc49a654a7424 [0,2,0,0,0,0|0,0,0]=2 2927 B13R1.23 CCCCNC(=O)c1ccc(o1)C 1b9145d7705d618bf6e74395a2dd70cd [0,2,0,0,0,0|0,0,0]=2 2928 B13R1.23 CCCCNC(=O)c1ccc(o1)Cl 3cdd4cbcdbeb860b133366fa69f0cd4e [0,2,0,0,0,0|0,0,0]=2 2929 B13R1.23 CCCCNC(=O)c1ccc(o1)F 67c7da1339a646d2be5b38b0afa6b55c [0,2,0,0,0,0|0,0,0]=2 2930 B13R1.23 CCCCNC(=O)c1ccc(o1)I dc039b26034a851b550c14314c0fe9e9 [0,2,0,0,0,0|0,0,0]=2 2931 B13R1.23 CCCCNC(=O)c1ccc(s1)Br 36ac5b3f0b30a9002d94720fb0079380 [0,2,0,0,0,0|0,1,0]=3 2932 B13R1.23 CCCCNC(=O)c1ccc(s1)C 1a96bbbe06ae84d25654b39d4ceb403a [0,2,0,0,0,0|0,1,0]=3 2933 B13R1.23 CCCCNC(=O)c1ccc(s1)Cl ceec9da21d888b7696d3c16fb61c336f [0,2,0,0,0,0|0,1,0]=3 2934 B13R1.23 CCCCNC(=O)c1ccc(s1)F 6676f86c640dd8f27c38f6c29a2b7b4b [0,2,0,0,0,0|0,1,0]=3 2935 B13R1.23 CCCCNC(=O)c1ccc(s1)I 567ffe6b37ac510dc316615ddfe44167 [0,2,0,0,0,0|0,1,0]=3 2936 B13R1.23 CCCCNC(=O)c1ccn(c1)C 8550373a04ce95c6f2f6e5a75457b315 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.23 CCCCNC(=O)c1ccn(n1)C df82aa46d89f3f1cda0e29bf61307283 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.23 CCCCNC(=O)c1cn(cn1)C b522cb6a3640225edfc58f32807e0c28 [0,2,0,0,0,0|2,0,0]=4 2939 B13R1.23 CCCCNC(=O)c1cnc(o1)Br cf19632a30145791380960f585e257ac [0,2,0,0,0,0|1,0,0]=3 2940 B13R1.23 CCCCNC(=O)c1cnc(o1)C 2193175aa1911104c3954605ed5c4282 [0,2,0,0,0,0|1,0,0]=3 2941 B13R1.23 CCCCNC(=O)c1cnc(o1)Cl 524c9a4aec1152d93920bf0d7501cb89 [0,2,0,0,0,0|1,0,0]=3 2942 B13R1.23 CCCCNC(=O)c1cnc(o1)I 59736ed17f6ee45df95f6bc35528b54d [0,2,0,0,0,0|1,0,0]=3 2943 B13R1.23 CCCCNC(=O)c1cnc(o1)O c4c488c9b2177abb8a4185328f626f05 [0,2,0,0,0,0|1,0,0]=3 2944 B13R1.23 CCCCNC(=O)c1cnc(s1)Br 364467f5c8597e0ceae945110ad0fbb4 [0,2,0,0,0,0|1,1,0]=4 2945 B13R1.23 CCCCNC(=O)c1cnc(s1)C a2240d90d12d42b38aae33f960d491e3 [0,2,0,0,0,0|1,1,0]=4 2946 B13R1.23 CCCCNC(=O)c1cnc(s1)Cl 22e71e676fa06f2a261ded19fff713f5 [0,2,0,0,0,0|1,1,0]=4 2947 B13R1.23 CCCCNC(=O)c1coc(c1)Br 65224074929247c5c34aee4075daebff [0,2,0,0,0,0|2,0,0]=4 2948 B13R1.23 CCCCNC(=O)c1coc(c1)C 854a0d6abc22bf962746a9bf95f53b21 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.23 CCCCNC(=O)c1coc(n1)Br f92ea2c5f52d63c008ea102a0d14cc6b [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.23 CCCCNC(=O)c1coc(n1)C 7d2d94637e0f99f57f81115fd5bb60fa [0,2,0,0,0,0|2,0,0]=4 2951 B13R1.23 CCCCNC(=O)c1coc(n1)Cl 21ec0fb72cae44816de92ff89ec150ef [0,2,0,0,0,0|2,0,0]=4 2952 B13R1.23 CCCCNC(=O)c1csc(c1)Br 4f329d3c2f575a73d1835d3a122dde1c [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.23 CCCCNC(=O)c1csc(c1)C 11b019294b1d06001434507bc5d1014b [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.23 CCCCNC(=O)c1csc(c1)Cl bfbe35a7ec1578c109dc0ba56591d2ef [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.23 CCCCNC(=O)c1csc(c1)I eeab37ef585486ebcad3dc28edd211ad [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.23 CCCCNC(=O)c1csc(n1)Br 791a2b405d7f02f6000662f8c1a7a3f1 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.23 CCCCNC(=O)c1csc(n1)C 5496dfcf5c5dfb585e5514744d3fe1b1 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.23 CCCCNC(=O)c1csc(n1)Cl 61cd93858fc9622ced1ed15258e3be1d [0,2,0,0,0,0|2,0,0]=4 2959 B13R1.23 CCCCNC(=O)c1csc(n1)I 2c9de9d40bdd3cafd1f2b8e64a2a7dea [0,2,0,0,0,0|2,0,0]=4 2960 B13R1.23 CCCCNC(=O)c1nc(co1)Br 4d8cd22839d2ef5cbe88b1cbe6d6363d [0,2,0,0,0,0|1,0,0]=3 2961 B13R1.23 CCCCNC(=O)c1nc(co1)C 8e6f62a3254d47f9da38ed35156b83c3 [0,2,0,0,0,0|1,0,0]=3 2962 B13R1.23 CCCCNC(=O)c1nc(cs1)Br 937c220701258ca5e6c84d825f64c074 [0,2,0,0,0,0|1,1,0]=4 2963 B13R1.23 CCCCNC(=O)c1nc(cs1)C fec46ca4beeb6240a0c9372a1c887d1b [0,2,0,0,0,0|1,1,0]=4 2964 B13R1.23 CCCCNC(=O)c1nc(cs1)Cl c6cf6699587a8b5cbac66e0f17e323d7 [0,2,0,0,0,0|1,1,0]=4 2965 B13R1.23 CCCCNC(=O)c1nc(no1)C 4b3b399133b95e1c67ed24f7aaa9fd56 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.23 CCCCNC(=O)c1ncc(o1)Br f9bc9b9ca14594a665cdaef0641bb159 [0,2,0,0,0,0|1,0,0]=3 2967 B13R1.23 CCCCNC(=O)c1ncc(o1)C 6dfc8d7274c8d8e8c6aa209b7927fbe4 [0,2,0,0,0,0|1,0,0]=3 2968 B13R1.23 CCCCNC(=O)c1ncc(s1)Br c82516166bb44494aaa3a11f92145886 [0,2,0,0,0,0|1,1,0]=4 2969 B13R1.23 CCCCNC(=O)c1ncc(s1)C 661ca2116b9470f42f28bb5ad2306ac5 [0,2,0,0,0,0|1,1,0]=4 2970 B13R1.23 CCCCNC(=O)c1nnc(o1)C f8f3e0969e4c1fbc716626c5b14e5f93 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.23 CCCCNC(C)c1ccc(o1)C 0655e9a0a446c5c45464d52b6fe86601 [0,2,0,0,0,0|1,0,1]=4 2972 B13R1.23 CCCCN[C@H](C)c1ccc(o1)C ee229fdf760dbb065ec528c2006e1a98 [0,2,0,0,0,0|1,0,1]=4 2973 B13R1.23 CCCNCC(=O)c1cc(no1)C ecf58cde1cfabe4b980467554e3c5b4a [0,2,0,0,0,0|1,0,0]=3 2974 B13R1.23 CCCNCC(=O)c1ccc(o1)C 5bc9edb51c8acbc362f229d666fd59f8 [0,2,0,0,0,0|0,0,0]=2 2975 B13R1.23 CCCNCC(=O)c1ccc(s1)Br 8b8a0d53314135de5417648ea1f293c3 [0,2,0,0,0,0|0,1,0]=3 2976 B13R1.23 CCCNCC(=O)c1ccc(s1)C 540067651a6428a306cf840e547089df [0,2,0,0,0,0|0,1,0]=3 2977 B13R1.23 CCCNCC(=O)c1ccc(s1)Cl b7950a9e2df3157858e6458222ed6cff [0,2,0,0,0,0|0,1,0]=3 2978 B13R1.23 CCCNCC(=O)c1cnc(s1)Cl f05ddf429115d49b95029d95ecb83213 [0,2,0,0,0,0|1,1,0]=4 2979 B13R1.23 CCCNCC(=O)c1nc(cs1)C 9819f47ca64818ec1190d43ed802d9f0 [0,2,0,0,0,0|1,1,0]=4 2980 B13R1.23 CCCOCC(=O)c1cc(no1)C 3217b6d6d19c3aa358ae32c6115efe92 [0,2,0,0,0,0|1,0,0]=3 2981 B13R1.23 CCCOCC(=O)c1ccc(o1)C 516b53fc8f95843de2200486a128d973 [0,2,0,0,0,0|0,0,0]=2 2982 B13R1.23 CCCOCC(=O)c1ccc(s1)Br c5e558bb278951e0f03e3a9616cca8cd [0,2,0,0,0,0|0,1,0]=3 2983 B13R1.23 CCCOCC(=O)c1ccc(s1)C 6ed58dee1e562cccc571bcf3b6fcec8f [0,2,0,0,0,0|0,1,0]=3 2984 B13R1.23 CCCOCC(=O)c1ccc(s1)Cl 01ba4dec1337adb172f7c5efe35f2c40 [0,2,0,0,0,0|0,1,0]=3 2985 B13R1.23 CCCOCC(=O)c1nc(cs1)C b7d83439ad09215a2da7ca2cceec6aae [0,2,0,0,0,0|1,1,0]=4 2986 B13R1.23 COCCCN(C)c1ccc(o1)C 306d50cf0ec856dae56a329cc49280a5 [0,2,0,0,0,0|2,0,0]=4 2987 B13R1.23 COCCNC(=O)c1cc(co1)Br 4ecbb622c2899d9bfb97db4df5432941 [0,2,0,0,0,0|1,0,0]=3 2988 B13R1.23 COCCNC(=O)c1cc(co1)C 235c431d308d0d5db608992dd6bec3bc [0,2,0,0,0,0|1,0,0]=3 2989 B13R1.23 COCCNC(=O)c1cc(co1)Cl 4ab87b7feb47fe3bda6bee97534137b0 [0,2,0,0,0,0|1,0,0]=3 2990 B13R1.23 COCCNC(=O)c1cc(cs1)Br 95b3676742a4ccc813cc4757f8e36c15 [0,2,0,0,0,0|1,1,0]=4 2991 B13R1.23 COCCNC(=O)c1cc(cs1)C 7b80fe21fc364004a2c874323fc44424 [0,2,0,0,0,0|1,1,0]=4 2992 B13R1.23 COCCNC(=O)c1cc(cs1)Cl eac2e3d7ccd84d2c00f8250e426c6c9f [0,2,0,0,0,0|1,1,0]=4 2993 B13R1.23 COCCNC(=O)c1cc(cs1)F ca84e3f3ed22f458643d170753416040 [0,2,0,0,0,0|1,1,0]=4 2994 B13R1.23 COCCNC(=O)c1cc(cs1)O 15aed225492ed3151eefa3fd77957c01 [0,2,0,0,0,0|1,1,0]=4 2995 B13R1.23 COCCNC(=O)c1cc(no1)Br b7d973e2fb7b397f6adb4a324fc93791 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.23 COCCNC(=O)c1cc(no1)C 45ee30569138d2b773db4863edaf6b60 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.23 COCCNC(=O)c1cc(no1)Cl d30eb5e78bc2be367e3a1b125a48cd51 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.23 COCCNC(=O)c1cc(no1)O c24141f6339478db22c07aa48c0809f2 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.23 COCCNC(=O)c1ccc(o1)Br 416fe35ed17d3189253836afc791e0fa [0,2,0,0,0,0|1,0,0]=3 3000 B13R1.23 COCCNC(=O)c1ccc(o1)C 95be8707ebcd6a95c019ef1552b2fee1 [0,2,0,0,0,0|1,0,0]=3 3001 B13R1.23 COCCNC(=O)c1ccc(o1)Cl acd69cb33a72dec4e80043313181bc5b [0,2,0,0,0,0|1,0,0]=3 3002 B13R1.23 COCCNC(=O)c1ccc(o1)F 38d763d18203136a710343d607a60f09 [0,2,0,0,0,0|1,0,0]=3 3003 B13R1.23 COCCNC(=O)c1ccc(o1)I 38e1272aff9d37551bf4fe4a34d0b9d2 [0,2,0,0,0,0|1,0,0]=3 3004 B13R1.23 COCCNC(=O)c1ccc(s1)Br d39cd8c8390756d5f0b93424de9b36bf [0,2,0,0,0,0|1,1,0]=4 3005 B13R1.23 COCCNC(=O)c1ccc(s1)C bba281d85da182c5784ea2871843dc43 [0,2,0,0,0,0|1,1,0]=4 3006 B13R1.23 COCCNC(=O)c1ccc(s1)Cl 4b119af7fafcea5a9cf3cd2061354c75 [0,2,0,0,0,0|1,1,0]=4 3007 B13R1.23 COCCNC(=O)c1ccc(s1)F a0959bec2d55361384843a29504d981b [0,2,0,0,0,0|1,1,0]=4 3008 B13R1.23 COCCNC(=O)c1ccc(s1)I 9c2e73c427bfc43de5acf3955c3ccb35 [0,2,0,0,0,0|1,1,0]=4 3009 B13R1.23 COCCNC(=O)c1cnc(o1)Br ab41de6b0852ed39b257c1905f88f995 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.23 COCCNC(=O)c1cnc(o1)C 56af0e1dd92affcaacdb225979a58035 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.23 COCCNC(=O)c1cnc(o1)Cl 0db927e560dfc04594fc91c41ddbe7ae [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.23 COCCNC(=O)c1cnc(o1)I 0a0d712b1ed96a0e21930c21462dfea5 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.23 COCCNC(=O)c1cnc(o1)O 0f64e398d2e9361375602a06c4b8abc0 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.23 COCCNC(=O)c1nc(co1)Br 2040540c7dec107736be64f08752b463 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.23 COCCNC(=O)c1nc(co1)C 50d9ea376639242c8ae3e6d047b84557 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.23 COCCNC(=O)c1ncc(o1)Br 4cd0d06957fbf8330011c4ff749f7c63 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.23 COCCNC(=O)c1ncc(o1)C 26b9976c15141800d05da5a45d4467ab [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.23 COCOCC(=O)c1cc(no1)C 799636111fc7d1c7d1d453dbf4cd617b [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.23 COCOCC(=O)c1ccc(o1)C a8262d6c37ea9f41f9b2087a46a28c32 [0,2,0,0,0,0|1,0,0]=3 3020 B13R1.23 COCOCC(=O)c1ccc(s1)Br 65bbaa24d7ca30604166baa019dac563 [0,2,0,0,0,0|1,1,0]=4 3021 B13R1.23 COCOCC(=O)c1ccc(s1)C 0db9bc9ff830a239288ac643a938df89 [0,2,0,0,0,0|1,1,0]=4 3022 B13R1.23 COCOCC(=O)c1ccc(s1)Cl 43c94a414f52fe3060f7419ebbf2bf9d [0,2,0,0,0,0|1,1,0]=4 3023 B13R1.23 CSCCNC(=O)c1cc(co1)Br 461508224e2f2ebb59696df273cf0ef1 [0,2,0,0,0,0|1,0,0]=3 3024 B13R1.23 CSCCNC(=O)c1cc(co1)C 6ff7350794eaf12ed30500634d48741b [0,2,0,0,0,0|1,0,0]=3 3025 B13R1.23 CSCCNC(=O)c1cc(co1)Cl 74cb68d7c267f29886c39fe2855e1c64 [0,2,0,0,0,0|1,0,0]=3 3026 B13R1.23 CSCCNC(=O)c1cc(cs1)Br 4cfa0ef4b3b299c701c7a69d0c9f9aa9 [0,2,0,0,0,0|1,1,0]=4 3027 B13R1.23 CSCCNC(=O)c1cc(cs1)C d09844db857c505f596eb34655bbb9e4 [0,2,0,0,0,0|1,1,0]=4 3028 B13R1.23 CSCCNC(=O)c1cc(cs1)Cl f0d054200aa5c91f97381a064c52f310 [0,2,0,0,0,0|1,1,0]=4 3029 B13R1.23 CSCCNC(=O)c1cc(cs1)F d51a387b7b4083340938dc73f6bc14f9 [0,2,0,0,0,0|1,1,0]=4 3030 B13R1.23 CSCCNC(=O)c1cc(cs1)O dc6a980b85abb6471bbb2673dbd67b15 [0,2,0,0,0,0|1,1,0]=4 3031 B13R1.23 CSCCNC(=O)c1cc(no1)Br 298dbdc247f2619f8c5c60aa2a2206b1 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.23 CSCCNC(=O)c1cc(no1)C ea6aafbb3d5388b6921a845046371ab6 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.23 CSCCNC(=O)c1cc(no1)Cl 33c10081e482b68c70b62b03c1ebb545 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.23 CSCCNC(=O)c1cc(no1)O ba99fb35401ec80c21b46b40d2b56304 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.23 CSCCNC(=O)c1ccc(o1)Br bb4b1a4eb9bbbe0b76b037daae9ff3f3 [0,2,0,0,0,0|1,0,0]=3 3036 B13R1.23 CSCCNC(=O)c1ccc(o1)C c6acf0752bbcf19ae33109bd04adcd6f [0,2,0,0,0,0|1,0,0]=3 3037 B13R1.23 CSCCNC(=O)c1ccc(o1)Cl a989707d36c1f0744a2ab8c68ddc6056 [0,2,0,0,0,0|1,0,0]=3 3038 B13R1.23 CSCCNC(=O)c1ccc(o1)F 28983d53bb067bb48887d258cd6f6667 [0,2,0,0,0,0|1,0,0]=3 3039 B13R1.23 CSCCNC(=O)c1ccc(o1)I 2fbb01ad0ae1ca3b2ec3cd2159054952 [0,2,0,0,0,0|1,0,0]=3 3040 B13R1.23 CSCCNC(=O)c1ccc(s1)Br c5b5e4ca1f28d3bd8946c366a0b3a3a0 [0,2,0,0,0,0|1,1,0]=4 3041 B13R1.23 CSCCNC(=O)c1ccc(s1)C f2671da999bff86072732d477b86bedb [0,2,0,0,0,0|1,1,0]=4 3042 B13R1.23 CSCCNC(=O)c1ccc(s1)Cl 763c719c4a2d432d19a6a1bf00e725a3 [0,2,0,0,0,0|1,1,0]=4 3043 B13R1.23 CSCCNC(=O)c1ccc(s1)F aa9b5aab3af4e739762b0a2b92f898b3 [0,2,0,0,0,0|1,1,0]=4 3044 B13R1.23 CSCCNC(=O)c1ccc(s1)I 23987fb4a745c080808c220e46b2ceda [0,2,0,0,0,0|1,1,0]=4 3045 B13R1.23 CSCCNC(=O)c1cnc(o1)Br 95d7a0c8a93e8986d107dc4002517bd0 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.23 CSCCNC(=O)c1cnc(o1)C 156517f3740857cd7f59fdca7cba658e [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.23 CSCCNC(=O)c1cnc(o1)Cl b886d6364b87ad7d3d988aafc43bb8df [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.23 CSCCNC(=O)c1cnc(o1)I a2a187ccb7171d9a0665cfc572677181 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.23 CSCCNC(=O)c1cnc(o1)O e5d46e777c6c592f54c3fdebe9eabbc9 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.23 CSCCNC(=O)c1nc(co1)Br 613acf491edd79ac1a3f68abbfe736d6 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.23 CSCCNC(=O)c1nc(co1)C 193808adb43064d6b6ba5ba44bb2d4ee [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.23 CSCCNC(=O)c1ncc(o1)Br 17dcaeaed4958a59e77e2f33fb1e4004 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.23 CSCCNC(=O)c1ncc(o1)C 5c14eefe266595cb8f1a8b72ee47e754 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.23 Cc1cc(on1)C(=O)CNCCBr b067859e60f556ede01e2b831e65e3dd [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.23 Cc1cc(on1)C(=O)CNCCF dd98710aefb52429bee056303ddb97e4 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.23 Cc1cc(on1)C(=O)CNCCI ec5d4c6b5bacba0d8a456092cca30902 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.23 Cc1cc(on1)C(=O)CNCCO 8040a6e3880d79f6638e1729fe5c4b0c [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.23 Cc1cc(on1)C(=O)CNCCS 5648cf16219f480cc1c6ea8dd3b5df76 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.23 Cc1cc(on1)C(=O)COCCF 37ea5ef3f7008f90a989e98a38af2646 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.23 Cc1cc(on1)C(=O)COCCS 8845ac1b840ca6a57a64b8e197bef579 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.23 Cc1cc(on1)C(=O)NCCCCl 57217cfe2724675af2d4592f7552c8da [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.23 Cc1cc(on1)C(=O)NCCCO 2b1202ec8800787bbca60cbc52c7d2b9 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.23 Cc1ccc(o1)C(=O)CNCC#N 10ccd980cd0d37de3e12d1d2031fcd64 [0,2,0,0,0,0|1,0,1]=4 3064 B13R1.23 Cc1ccc(o1)C(=O)CNCCBr ee15416b22eefde8736c7e3a3e1a1ffa [0,2,0,0,0,0|1,0,0]=3 3065 B13R1.23 Cc1ccc(o1)C(=O)CNCCF 40af81f2c8f3d5791f40a7fb06e910e8 [0,2,0,0,0,0|1,0,0]=3 3066 B13R1.23 Cc1ccc(o1)C(=O)CNCCI 12df7c1a59b73dfd0dafb99ddaefabc7 [0,2,0,0,0,0|1,0,0]=3 3067 B13R1.23 Cc1ccc(o1)C(=O)CNCCO d373e4b880a79e808eb0989b336b9e40 [0,2,0,0,0,0|1,0,0]=3 3068 B13R1.23 Cc1ccc(o1)C(=O)CNCCS 31b744774940a4c8f9a02d83eee50c75 [0,2,0,0,0,0|1,0,0]=3 3069 B13R1.23 Cc1ccc(o1)C(=O)COCCF 0e3e9b3d5338e65199dfce6ae4e8508f [0,2,0,0,0,0|1,0,0]=3 3070 B13R1.23 Cc1ccc(o1)C(=O)COCCS c3f4f37c6ba4b051744439dfe24a62bc [0,2,0,0,0,0|1,0,0]=3 3071 B13R1.23 Cc1ccc(o1)C(=O)NCCC#N 65ed479db260951d9929700b240f19a0 [0,2,0,0,0,0|1,0,1]=4 3072 B13R1.23 Cc1ccc(o1)C(=O)NCCCCl 89e045be339763b7faeeb6487f7216c0 [0,2,0,0,0,0|1,0,0]=3 3073 B13R1.23 Cc1ccc(o1)C(=O)NCCCO f2a358d8878da796a019f1ff2bd60cd4 [0,2,0,0,0,0|1,0,0]=3 3074 B13R1.23 Cc1ccc(o1)C(=O)NCCON 11d46ada3f41fa64c398972f820c78b0 [0,2,0,0,0,0|2,0,0]=4 3075 B13R1.23 Cc1ccc(o1)N(C)CCCCO fe66b2bd15f6647c8f37b6cc36d31906 [0,2,0,0,0,0|2,0,0]=4 3076 B13R1.23 Cc1ccc(s1)C(=O)CNCCBr 97f55a900730992ce4dfdc11c30b7687 [0,2,0,0,0,0|1,1,0]=4 3077 B13R1.23 Cc1ccc(s1)C(=O)CNCCF 5cb3458fcc22e3a842940133a591bc1c [0,2,0,0,0,0|1,1,0]=4 3078 B13R1.23 Cc1ccc(s1)C(=O)CNCCI 88c90aac5723b4a955908904d01668ad [0,2,0,0,0,0|1,1,0]=4 3079 B13R1.23 Cc1ccc(s1)C(=O)CNCCO 34438e97301d8cb2df37f5a295116ebc [0,2,0,0,0,0|1,1,0]=4 3080 B13R1.23 Cc1ccc(s1)C(=O)CNCCS 989d556998bef6c13c278d478d78be23 [0,2,0,0,0,0|1,1,0]=4 3081 B13R1.23 Cc1ccc(s1)C(=O)COCCF e0eadf2f1a8ed297e228987275dfd44a [0,2,0,0,0,0|1,1,0]=4 3082 B13R1.23 Cc1ccc(s1)C(=O)COCCS 36a6d14ac9476208306d62bd467f1aca [0,2,0,0,0,0|1,1,0]=4 3083 B13R1.23 Cc1ccc(s1)C(=O)NCCCCl 408fdb219d69420f302c2e7d838838fe [0,2,0,0,0,0|1,1,0]=4 3084 B13R1.23 Cc1ccc(s1)C(=O)NCCCO dcedf9a0b76dadb4ab975e7c2c06b269 [0,2,0,0,0,0|1,1,0]=4 3085 B13R1.23 Cc1cnc(o1)C(=O)NCCCCl ae40be2c9cf7d4134376bbb1ebf0967e [0,2,0,0,0,0|2,0,0]=4 3086 B13R1.23 Cc1cnc(o1)C(=O)NCCCO ea2239eea458b9147c11e591474cc4bf [0,2,0,0,0,0|2,0,0]=4 3087 B13R1.23 Cc1coc(c1)C(=O)NCCC#N 795d3cc1314f9fe20bab7a3406d23a85 [0,2,0,0,0,0|1,0,1]=4 3088 B13R1.23 Cc1coc(c1)C(=O)NCCCCl fff0191b770a0f32859e62695a566e29 [0,2,0,0,0,0|1,0,0]=3 3089 B13R1.23 Cc1coc(c1)C(=O)NCCCO 4cd9b541da7a1237c37b77e1456ae662 [0,2,0,0,0,0|1,0,0]=3 3090 B13R1.23 Cc1coc(c1)C(=O)NCCON e3d5d5dd3bd4b0c740dcffeed4e51e0d [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.23 Cc1coc(n1)C(=O)NCCCCl 46c1c1361f086e28213050dd70b3333f [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.23 Cc1coc(n1)C(=O)NCCCO 45811c287bff260380d8bb6409fe93d3 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.23 Cc1csc(c1)C(=O)NCCCCl bb20a6e3767eebc18b29234cf8ede8e2 [0,2,0,0,0,0|1,1,0]=4 3094 B13R1.23 Cc1csc(c1)C(=O)NCCCO aa3ae05139c6c68ddbd7d84e5d6a004f [0,2,0,0,0,0|1,1,0]=4 3095 B13R1.23 Cc1ncc(o1)C(=O)NCCCCl 8c7642a2ec8e039b9a614bb8c65baa87 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.23 Cc1ncc(o1)C(=O)NCCCO 915ba906e1de91003519704aca8c1df2 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.23 N#CCCNC(=O)c1cc(co1)Br bcc20bfd3b4309bc12ada96d74b1c65e [0,2,0,0,0,0|1,0,1]=4 3098 B13R1.23 N#CCCNC(=O)c1cc(co1)Cl de4a2dc685aefd5f590b59ef7d721db2 [0,2,0,0,0,0|1,0,1]=4 3099 B13R1.23 N#CCCNC(=O)c1ccc(o1)Br b8e04844796822639de41dc1c3988e6f [0,2,0,0,0,0|1,0,1]=4 3100 B13R1.23 N#CCCNC(=O)c1ccc(o1)Cl 1da1e58466c604c05c9166d400b4c7c8 [0,2,0,0,0,0|1,0,1]=4 3101 B13R1.23 N#CCCNC(=O)c1ccc(o1)F def01f09d3e25ed0e521621cc20e52c2 [0,2,0,0,0,0|1,0,1]=4 3102 B13R1.23 N#CCCNC(=O)c1ccc(o1)I 1d728e1e93743a8fc89fef01d1f21743 [0,2,0,0,0,0|1,0,1]=4 3103 B13R1.23 NOCCNC(=O)c1cc(co1)Br 78654053decf33c37e3d1825fe580789 [0,2,0,0,0,0|2,0,0]=4 3104 B13R1.23 NOCCNC(=O)c1cc(co1)Cl 5ff051a3c636f416bb3d92401f2685e9 [0,2,0,0,0,0|2,0,0]=4 3105 B13R1.23 NOCCNC(=O)c1ccc(o1)Br b61ac6f34fbfc0bdb8bef203f7b058b2 [0,2,0,0,0,0|2,0,0]=4 3106 B13R1.23 NOCCNC(=O)c1ccc(o1)Cl 377344165c5d43f5d467f76f1f01c7ed [0,2,0,0,0,0|2,0,0]=4 3107 B13R1.23 NOCCNC(=O)c1ccc(o1)F 70073b76f46b7d1ad1e905e75a0f178c [0,2,0,0,0,0|2,0,0]=4 3108 B13R1.23 NOCCNC(=O)c1ccc(o1)I bbcc0088a3d33ea075279df0fa5be865 [0,2,0,0,0,0|2,0,0]=4 3109 B13R1.23 O=C(CNCCBr)c1ccc(s1)Br ee67ab09fbaa46d4277e2577c8f5c949 [0,2,0,0,0,0|1,1,0]=4 3110 B13R1.23 O=C(CNCCBr)c1ccc(s1)Cl 52f37c1a661b91e1fbaa08db4c2f6480 [0,2,0,0,0,0|1,1,0]=4 3111 B13R1.23 O=C(CNCCF)c1ccc(s1)Br ee60f22f9d3ad19a0bc781486b6abd31 [0,2,0,0,0,0|1,1,0]=4 3112 B13R1.23 O=C(CNCCF)c1ccc(s1)Cl 9b6c25b837737df5eb57cb68ade634be [0,2,0,0,0,0|1,1,0]=4 3113 B13R1.23 O=C(CNCCI)c1ccc(s1)Br b180bdb8693ffddce42016e71d3d915f [0,2,0,0,0,0|1,1,0]=4 3114 B13R1.23 O=C(CNCCI)c1ccc(s1)Cl ebdc9bdc471f69ab8a11fca378e005ec [0,2,0,0,0,0|1,1,0]=4 3115 B13R1.23 O=C(CNCCO)c1ccc(s1)Br 9bfe658da6df1875f79ff559db529718 [0,2,0,0,0,0|1,1,0]=4 3116 B13R1.23 O=C(CNCCO)c1ccc(s1)Cl 97c5b12452c52dd067321c232c4f1cc3 [0,2,0,0,0,0|1,1,0]=4 3117 B13R1.23 O=C(CNCCS)c1ccc(s1)Br 4c4a18d77d783215a9b2d1ea4c5927b0 [0,2,0,0,0,0|1,1,0]=4 3118 B13R1.23 O=C(CNCCS)c1ccc(s1)Cl f0afb8cbc03f361b5402e7be67809ca8 [0,2,0,0,0,0|1,1,0]=4 3119 B13R1.23 O=C(COCCF)c1ccc(s1)Br ee3764c370a8f08561919fcb5fd97db3 [0,2,0,0,0,0|1,1,0]=4 3120 B13R1.23 O=C(COCCF)c1ccc(s1)Cl 40edfebaf4944b931716aa98346b1a3e [0,2,0,0,0,0|1,1,0]=4 3121 B13R1.23 O=C(COCCS)c1ccc(o1)Br 288133cca1d1962049e6be4d11787f31 [0,2,0,0,0,0|1,0,0]=3 3122 B13R1.23 O=C(COCCS)c1ccc(s1)Br 835295b8f995b85e85e478931ff994c5 [0,2,0,0,0,0|1,1,0]=4 3123 B13R1.23 O=C(COCCS)c1ccc(s1)Cl d80a100b6623882fe2f6a47980547757 [0,2,0,0,0,0|1,1,0]=4 3124 B13R1.23 O=C(NCCCCl)c1cc(co1)Br 623782a5b8cc08d4c166d59e654240bd [0,2,0,0,0,0|1,0,0]=3 3125 B13R1.23 O=C(NCCCCl)c1cc(co1)Cl 7ede634fe620ef7a9bcf9d2d7d43b422 [0,2,0,0,0,0|1,0,0]=3 3126 B13R1.23 O=C(NCCCCl)c1cc(cs1)Br 4c0997dc0646beaca71712a67c802a0b [0,2,0,0,0,0|1,1,0]=4 3127 B13R1.23 O=C(NCCCCl)c1cc(cs1)Cl 124af590a3616403c8dc50fbc5b69e0f [0,2,0,0,0,0|1,1,0]=4 3128 B13R1.23 O=C(NCCCCl)c1cc(cs1)F ef11925a7083d4adecd62d91e80179e0 [0,2,0,0,0,0|1,1,0]=4 3129 B13R1.23 O=C(NCCCCl)c1cc(cs1)O 5dd6ff797074264bdf34e082e9f9a269 [0,2,0,0,0,0|1,1,0]=4 3130 B13R1.23 O=C(NCCCCl)c1cc(no1)Br 788aa06bcc12e187d867d7d7a5406013 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.23 O=C(NCCCCl)c1cc(no1)Cl dab11255404bb181a01e956a1fb694c1 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.23 O=C(NCCCCl)c1cc(no1)O 0b67ff7324ce27c8a82b5e0dfa1d9253 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.23 O=C(NCCCCl)c1ccc(o1)Br d88e7224b883b7e44343f02de3793a1b [0,2,0,0,0,0|1,0,0]=3 3134 B13R1.23 O=C(NCCCCl)c1ccc(o1)Cl 6f1adcf6f7c9684736c7933a62eb0cd7 [0,2,0,0,0,0|1,0,0]=3 3135 B13R1.23 O=C(NCCCCl)c1ccc(o1)F 38cd8323a10008db8020aa350818addc [0,2,0,0,0,0|1,0,0]=3 3136 B13R1.23 O=C(NCCCCl)c1ccc(o1)I 2496c8550e34e496189b3a98778e8a3b [0,2,0,0,0,0|1,0,0]=3 3137 B13R1.23 O=C(NCCCCl)c1ccc(s1)Br 7fd82d8bfc77881b322dff25fe631abe [0,2,0,0,0,0|1,1,0]=4 3138 B13R1.23 O=C(NCCCCl)c1ccc(s1)Cl 54d100b44ed849d5b9360e31872bd460 [0,2,0,0,0,0|1,1,0]=4 3139 B13R1.23 O=C(NCCCCl)c1ccc(s1)F 75544fa15932520f6f6b58559a93f845 [0,2,0,0,0,0|1,1,0]=4 3140 B13R1.23 O=C(NCCCCl)c1ccc(s1)I f4f6207f44311956d1e5deb550c4127b [0,2,0,0,0,0|1,1,0]=4 3141 B13R1.23 O=C(NCCCCl)c1cnc(o1)Br 884adb5b92f82045438da6e8a517be81 [0,2,0,0,0,0|2,0,0]=4 3142 B13R1.23 O=C(NCCCCl)c1cnc(o1)Cl eebc656d01f61d5efcccda79c774dc9c [0,2,0,0,0,0|2,0,0]=4 3143 B13R1.23 O=C(NCCCCl)c1cnc(o1)I 713c3fdb95157acd2ed3590c86990ecc [0,2,0,0,0,0|2,0,0]=4 3144 B13R1.23 O=C(NCCCCl)c1cnc(o1)O 927c7d49d1db69db54553dba6f89b804 [0,2,0,0,0,0|2,0,0]=4 3145 B13R1.23 O=C(NCCCCl)c1nc(co1)Br 5488742c2c0b54f6e9269bd3bcdd07b7 [0,2,0,0,0,0|2,0,0]=4 3146 B13R1.23 O=C(NCCCCl)c1ncc(o1)Br 0f018da80e65787028e300d88c3b1169 [0,2,0,0,0,0|2,0,0]=4 3147 B13R1.23 O=C(NCCCO)c1cc(co1)Br cf62960aedcb107ae39b12a168e0fb14 [0,2,0,0,0,0|1,0,0]=3 3148 B13R1.23 O=C(NCCCO)c1cc(co1)Cl 590adb393516678d3b195c84c6173673 [0,2,0,0,0,0|1,0,0]=3 3149 B13R1.23 O=C(NCCCO)c1cc(cs1)Br 4ee3006175087a34296e662b99372c84 [0,2,0,0,0,0|1,1,0]=4 3150 B13R1.23 O=C(NCCCO)c1cc(cs1)Cl 3bc6fa0222e0ffff98b395534dcd16d9 [0,2,0,0,0,0|1,1,0]=4 3151 B13R1.23 O=C(NCCCO)c1cc(cs1)F 9a03c70e7ad5641b44f5141b1601435e [0,2,0,0,0,0|1,1,0]=4 3152 B13R1.23 O=C(NCCCO)c1cc(cs1)O 6964d26630f646be6a59fd0640bc15d4 [0,2,0,0,0,0|1,1,0]=4 3153 B13R1.23 O=C(NCCCO)c1cc(no1)Br a921a67b16057027c0c29dca981079da [0,2,0,0,0,0|2,0,0]=4 3154 B13R1.23 O=C(NCCCO)c1cc(no1)Cl 6e39437b1ab670c70828e33f7b44d648 [0,2,0,0,0,0|2,0,0]=4 3155 B13R1.23 O=C(NCCCO)c1cc(no1)O 5d0d6c194b26b0fc44c3693aa4fbdf36 [0,2,0,0,0,0|2,0,0]=4 3156 B13R1.23 O=C(NCCCO)c1ccc(o1)Br 1dbba9da8ee92042ac596c5737754b64 [0,2,0,0,0,0|1,0,0]=3 3157 B13R1.23 O=C(NCCCO)c1ccc(o1)Cl a66be36005364bd855a401b6d1bc2112 [0,2,0,0,0,0|1,0,0]=3 3158 B13R1.23 O=C(NCCCO)c1ccc(o1)F 4ef8e647a47451cf52e5abd5f94537da [0,2,0,0,0,0|1,0,0]=3 3159 B13R1.23 O=C(NCCCO)c1ccc(o1)I 232b1ba44130a817c8cd19d4093c20c1 [0,2,0,0,0,0|1,0,0]=3 3160 B13R1.23 O=C(NCCCO)c1ccc(s1)Br e720889bfdadda32813dfe4bc0568e5a [0,2,0,0,0,0|1,1,0]=4 3161 B13R1.23 O=C(NCCCO)c1ccc(s1)Cl 0856254221fa6886d0d103022231c78f [0,2,0,0,0,0|1,1,0]=4 3162 B13R1.23 O=C(NCCCO)c1ccc(s1)F 1be07ba4d0b1b6d11b6027faec568a7c [0,2,0,0,0,0|1,1,0]=4 3163 B13R1.23 O=C(NCCCO)c1ccc(s1)I 8ccbe6c2de3194d8c98cfb059bb8bcd2 [0,2,0,0,0,0|1,1,0]=4 3164 B13R1.23 O=C(NCCCO)c1cnc(o1)Br 5afe67662635752c600d1987b7ed912c [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.23 O=C(NCCCO)c1cnc(o1)Cl 3907b5ace710b109ea8fa7ac6695b11e [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.23 O=C(NCCCO)c1cnc(o1)I 26c8e1257a6f82d017852eb4beb0df22 [0,2,0,0,0,0|2,0,0]=4 3167 B13R1.23 O=C(NCCCO)c1cnc(o1)O 3880f93b0e65ea7a822e2ef81e767f5c [0,2,0,0,0,0|2,0,0]=4 3168 B13R1.23 O=C(NCCCO)c1nc(co1)Br 9f97f0dba4a1d6aebfa632272e3ace8e [0,2,0,0,0,0|2,0,0]=4 3169 B13R1.23 O=C(NCCCO)c1ncc(o1)Br f3a326cc8ccc024dada51ffc9789439b [0,2,0,0,0,0|2,0,0]=4 3170 B13R1.25 CCCCN(CC)c1ccc(o1)C d14bf5db03c31add04bc49f35a6f865b [0,2,0,0,0,0|2,0,0]=4 3171 B13R1.46 CCCN(C)C(=O)c1cc(co1)Br 427bb60b989ace65eafb3979ad03729d [0,2,0,0,0,0|1,0,0]=3 3172 B13R1.46 CCCN(C)C(=O)c1cc(co1)C 86cc10ff9f4c9823274cd9c7b9f37a0a [0,2,0,0,0,0|1,0,0]=3 3173 B13R1.46 CCCN(C)C(=O)c1cc(co1)Cl 882b9df3a3961ec6a22f488f58151c7b [0,2,0,0,0,0|1,0,0]=3 3174 B13R1.46 CCCN(C)C(=O)c1cc(cs1)Br 4447e3f4b7085cdc52e26b35740dc25b [0,2,0,0,0,0|1,1,0]=4 3175 B13R1.46 CCCN(C)C(=O)c1cc(cs1)C fdf85c5088dbed7a519b827e4b060cf4 [0,2,0,0,0,0|1,1,0]=4 3176 B13R1.46 CCCN(C)C(=O)c1cc(cs1)Cl aabcffdceefadd126b6114e6f668b8e4 [0,2,0,0,0,0|1,1,0]=4 3177 B13R1.46 CCCN(C)C(=O)c1cc(cs1)F e96c11fae13f33be260c95ba55a44f79 [0,2,0,0,0,0|1,1,0]=4 3178 B13R1.46 CCCN(C)C(=O)c1cc(cs1)O 743680d9b6c523ee5b06486b0f08dd7a [0,2,0,0,0,0|1,1,0]=4 3179 B13R1.46 CCCN(C)C(=O)c1cc(no1)Br eafa5c3a21341ccaa39280ed764950c1 [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.46 CCCN(C)C(=O)c1cc(no1)C 133836a878607d81614d9149c42fde4a [0,2,0,0,0,0|2,0,0]=4 3181 B13R1.46 CCCN(C)C(=O)c1cc(no1)Cl 0953fa59582534fa2fe8d52a8ae351f7 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.46 CCCN(C)C(=O)c1cc(no1)O 247071129ec03bb9dc26d77ffc04a872 [0,2,0,0,0,0|2,0,0]=4 3183 B13R1.46 CCCN(C)C(=O)c1ccc(o1)Br 47d4949d86ce33681d35a66ec314b545 [0,2,0,0,0,0|1,0,0]=3 3184 B13R1.46 CCCN(C)C(=O)c1ccc(o1)C 314d74d7e11b92926bc26bd4e8008f1b [0,2,0,0,0,0|1,0,0]=3 3185 B13R1.46 CCCN(C)C(=O)c1ccc(o1)Cl c51b521415fad0c08143b9dda9e45b20 [0,2,0,0,0,0|1,0,0]=3 3186 B13R1.46 CCCN(C)C(=O)c1ccc(o1)F 939adb345e89d0736c0027d2ff8f869a [0,2,0,0,0,0|1,0,0]=3 3187 B13R1.46 CCCN(C)C(=O)c1ccc(o1)I 7db6e0e3b2f36aa65fe356eb0deda02c [0,2,0,0,0,0|1,0,0]=3 3188 B13R1.46 CCCN(C)C(=O)c1ccc(s1)Br d684958012570aad0eaa35dcafcbe04a [0,2,0,0,0,0|1,1,0]=4 3189 B13R1.46 CCCN(C)C(=O)c1ccc(s1)C 47200932bda3af6f370e9c675b4c16b8 [0,2,0,0,0,0|1,1,0]=4 3190 B13R1.46 CCCN(C)C(=O)c1ccc(s1)Cl 2c10a9627164ba002b1eb818a5fc0a6a [0,2,0,0,0,0|1,1,0]=4 3191 B13R1.46 CCCN(C)C(=O)c1ccc(s1)F 1467bfd52e1fb372e0795a3023014aa5 [0,2,0,0,0,0|1,1,0]=4 3192 B13R1.46 CCCN(C)C(=O)c1ccc(s1)I 6189d8f91f2aac20a82ea97530ff2646 [0,2,0,0,0,0|1,1,0]=4 3193 B13R1.46 CCCN(C)C(=O)c1cnc(o1)Br 91f4b83c7720d68fe86c1fec5e8c5c87 [0,2,0,0,0,0|2,0,0]=4 3194 B13R1.46 CCCN(C)C(=O)c1cnc(o1)C a3ba87851f5969b50d29548ac6a4460b [0,2,0,0,0,0|2,0,0]=4 3195 B13R1.46 CCCN(C)C(=O)c1cnc(o1)Cl 8ed9a677babb50c4b15e3678ff851cbb [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.46 CCCN(C)C(=O)c1cnc(o1)I c9a23a16184c309ccfb78b4f502f62af [0,2,0,0,0,0|2,0,0]=4 3197 B13R1.46 CCCN(C)C(=O)c1cnc(o1)O 374a734c0a2ac662615745c014284027 [0,2,0,0,0,0|2,0,0]=4 3198 B13R1.46 CCCN(C)C(=O)c1nc(co1)Br 71beb1c91eef53edeaafb08d9565a0ae [0,2,0,0,0,0|2,0,0]=4 3199 B13R1.46 CCCN(C)C(=O)c1nc(co1)C 2975cb4a387964c011a754efb2d077d5 [0,2,0,0,0,0|2,0,0]=4 3200 B13R1.46 CCCN(C)C(=O)c1ncc(o1)Br cc1a71f540c1936fa0748358613e717a [0,2,0,0,0,0|2,0,0]=4 3201 B13R1.46 CCCN(C)C(=O)c1ncc(o1)C b2a23070e282255666e5cf9175e7a376 [0,2,0,0,0,0|2,0,0]=4 3202 B13R1.46 CN(CCF)C(=O)c1cc(co1)Br 9fc8b19f3cf138cdb2df590823a8f488 [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.46 CN(CCF)C(=O)c1cc(co1)Cl 4c93849c4bf946fb6d484d16109e1126 [0,2,0,0,0,0|2,0,0]=4 3204 B13R1.46 CN(CCF)C(=O)c1ccc(o1)Br 248954a386165c0103b99a8050855b48 [0,2,0,0,0,0|2,0,0]=4 3205 B13R1.46 CN(CCF)C(=O)c1ccc(o1)Cl 78f388f4eefcefbf1cd3a538d1b3fb20 [0,2,0,0,0,0|2,0,0]=4 3206 B13R1.46 CN(CCF)C(=O)c1ccc(o1)F 174a780565076afa0ea1c9eeeff3b14c [0,2,0,0,0,0|2,0,0]=4 3207 B13R1.46 CN(CCF)C(=O)c1ccc(o1)I 773d5b9dfa280dce7b2062c66d6b7d9f [0,2,0,0,0,0|2,0,0]=4 3208 B13R1.46 CN(CCO)C(=O)c1cc(co1)Br 861b4229a355d9c7326bdbe528264ab2 [0,2,0,0,0,0|2,0,0]=4 3209 B13R1.46 CN(CCO)C(=O)c1cc(co1)Cl 2f00921fb94290b450d3b4ec9d605335 [0,2,0,0,0,0|2,0,0]=4 3210 B13R1.46 CN(CCO)C(=O)c1ccc(o1)Br 393071321c873826f747c07c8f948477 [0,2,0,0,0,0|2,0,0]=4 3211 B13R1.46 CN(CCO)C(=O)c1ccc(o1)Cl 205544d6b5a4d249456cddea1bccfa93 [0,2,0,0,0,0|2,0,0]=4 3212 B13R1.46 CN(CCO)C(=O)c1ccc(o1)F 0c912055d081a5fd99642ce2f3aa6150 [0,2,0,0,0,0|2,0,0]=4 3213 B13R1.46 CN(CCO)C(=O)c1ccc(o1)I e49c0a1e0f22a0a865469e3a88d48468 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.46 Cc1ccc(o1)C(=O)N(C)CCF 64287487f3a60f169fe26ef543481262 [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.46 Cc1ccc(o1)C(=O)N(C)CCO e7094607947216468bef49d1a397ee97 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.46 Cc1coc(c1)C(=O)N(C)CCF 402f87fa07e60960237c3a2902985e29 [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.46 Cc1coc(c1)C(=O)N(C)CCO 9882ab1c57b29d8cd83ea957f2cb82a8 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.129 C=C(C)CNC(=O)c1cc(co1)Br b1f0cd6adcc1b654123cc49c1deba85f [0,2,0,0,0,0|1,0,1]=4 3219 B13R1.129 C=C(C)CNC(=O)c1cc(co1)C a8fbfba2ebca3d7d957450cc8cf27101 [0,2,0,0,0,0|1,0,1]=4 3220 B13R1.129 C=C(C)CNC(=O)c1cc(co1)Cl 49b7ab3b03ab4d0a20bccdc80ff6498f [0,2,0,0,0,0|1,0,1]=4 3221 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)Br 1fbe79bc6da8c57c8643dd88489a6fe0 [0,2,0,0,0,0|1,0,1]=4 3222 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)C 1299ce790b68359e03648ce1a01b8cbc [0,2,0,0,0,0|1,0,1]=4 3223 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)Cl fcc075c343f52a7d010a48c72d5cb7ec [0,2,0,0,0,0|1,0,1]=4 3224 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)F e2d7700d2753502808633de2db44c3f8 [0,2,0,0,0,0|1,0,1]=4 3225 B13R1.129 C=C(C)CNC(=O)c1ccc(o1)I c9b83464944ccfc453625c6d37083969 [0,2,0,0,0,0|1,0,1]=4 3226 B13R1.129 CC(=O)CNC(=O)c1cc(co1)Br 50270535b20e01b1d7233b2099148da5 [0,2,0,0,0,0|1,0,1]=4 3227 B13R1.129 CC(=O)CNC(=O)c1cc(co1)C 3da513b3dd622d60b9a39bf08ccc1c24 [0,2,0,0,0,0|1,0,1]=4 3228 B13R1.129 CC(=O)CNC(=O)c1cc(co1)Cl efefd054afd399c9a9d96f0ad55db2aa [0,2,0,0,0,0|1,0,1]=4 3229 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)Br 82851dfef6b92c260925fd976fc34b04 [0,2,0,0,0,0|1,0,1]=4 3230 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)C 1774b9bb2f935ad71b79f902f28f953c [0,2,0,0,0,0|1,0,1]=4 3231 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)Cl 66265d34c8d84b7b0b286ff557d9687b [0,2,0,0,0,0|1,0,1]=4 3232 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)F 1abdf3a74fb5dba00eef985dc41ac06a [0,2,0,0,0,0|1,0,1]=4 3233 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)I 321cfdc285fe708403142dd6ef76a40e [0,2,0,0,0,0|1,0,1]=4 3234 B13R1.129 CC(C)CNC(=O)c1cc(co1)Br 21e70a7c08855ec3f088391ae7994470 [0,2,0,0,0,0|1,0,0]=3 3235 B13R1.129 CC(C)CNC(=O)c1cc(co1)Cl 1997261a58d5936b3d85d336a6b51d14 [0,2,0,0,0,0|1,0,0]=3 3236 B13R1.129 CC(C)CNC(=O)c1cc(cs1)Br 8462a626dc2eec6749593122f4a1bb2d [0,2,0,0,0,0|1,1,0]=4 3237 B13R1.129 CC(C)CNC(=O)c1cc(cs1)Cl 0d19627ef922f56d0301bdd340cffaf1 [0,2,0,0,0,0|1,1,0]=4 3238 B13R1.129 CC(C)CNC(=O)c1cc(cs1)F 0d40c88eb5095bd6505cbdfff8c82e99 [0,2,0,0,0,0|1,1,0]=4 3239 B13R1.129 CC(C)CNC(=O)c1cc(cs1)O ea1c217abf8c565908649e8772467a6b [0,2,0,0,0,0|1,1,0]=4 3240 B13R1.129 CC(C)CNC(=O)c1cc(no1)Br 87f725f0e932765cba4e75222d9d74c9 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.129 CC(C)CNC(=O)c1cc(no1)Cl bf878f6622ff3e973ae261a0d1d32824 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.129 CC(C)CNC(=O)c1cc(no1)O 3a291b4fc7acb6fbd1b7cce2c546ec09 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.129 CC(C)CNC(=O)c1ccc(o1)Br 8a1282b4dd8f910715e19c25334fba12 [0,2,0,0,0,0|1,0,0]=3 3244 B13R1.129 CC(C)CNC(=O)c1ccc(o1)Cl 0d3b36cae63c3d54492b49e863306d00 [0,2,0,0,0,0|1,0,0]=3 3245 B13R1.129 CC(C)CNC(=O)c1ccc(o1)F 0388c397ef6f186a290916360b867428 [0,2,0,0,0,0|1,0,0]=3 3246 B13R1.129 CC(C)CNC(=O)c1ccc(o1)I 3671d020ebfb98eee8926e9373da01b4 [0,2,0,0,0,0|1,0,0]=3 3247 B13R1.129 CC(C)CNC(=O)c1ccc(s1)Br a5dab098ab57dfab481da6d0ed27a5e1 [0,2,0,0,0,0|1,1,0]=4 3248 B13R1.129 CC(C)CNC(=O)c1ccc(s1)Cl 71580d9e9ed93fb5e2358e409002912f [0,2,0,0,0,0|1,1,0]=4 3249 B13R1.129 CC(C)CNC(=O)c1ccc(s1)F 391a262763d89e344b679f6f6213fea7 [0,2,0,0,0,0|1,1,0]=4 3250 B13R1.129 CC(C)CNC(=O)c1ccc(s1)I 77d77bb3d349ab770c896399091cc0e5 [0,2,0,0,0,0|1,1,0]=4 3251 B13R1.129 CC(C)CNC(=O)c1cnc(o1)Br 504a29a0d32e0b206b224ae9862699c5 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.129 CC(C)CNC(=O)c1cnc(o1)Cl b3d73e36fe4fe1dfe4eba3fb9fe7e501 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.129 CC(C)CNC(=O)c1cnc(o1)I f2d33617c1994a3e393d51bf7c8d88f7 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.129 CC(C)CNC(=O)c1cnc(o1)O c0653936ccf82ab742576634e35dbecc [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.129 CC(C)CNC(=O)c1nc(co1)Br 6d50a4f8677f37160af052486e65fdb2 [0,2,0,0,0,0|2,0,0]=4 3256 B13R1.129 CC(C)CNC(=O)c1ncc(o1)Br ef6ec6b4b552c017bcc37af305e7b6fc [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.129 CC(C)OCC(=O)c1ccc(s1)Br 135d49d463817034eadb8bed8b661dcc [0,2,0,0,0,0|1,1,0]=4 3258 B13R1.129 CC(C)OCC(=O)c1ccc(s1)Cl 8d648f2a1b69d85d171c69f1bc14590c [0,2,0,0,0,0|1,1,0]=4 3259 B13R1.129 CC(O)CNC(=O)c1cc(co1)Br b1b9eb7b4f4eac1274112062e5da664a [0,2,0,0,0,0|1,0,0]=3 3260 B13R1.129 CC(O)CNC(=O)c1cc(co1)Cl 783b856f924706c1964ea483add17646 [0,2,0,0,0,0|1,0,0]=3 3261 B13R1.129 CC(O)CNC(=O)c1cc(cs1)Br e2986d2863c0f553941c95b4adedecf4 [0,2,0,0,0,0|1,1,0]=4 3262 B13R1.129 CC(O)CNC(=O)c1cc(cs1)Cl 1d0491912819f98d168848c6402bfe7d [0,2,0,0,0,0|1,1,0]=4 3263 B13R1.129 CC(O)CNC(=O)c1cc(cs1)F 4e46905f1b2d665b10869603585e53ee [0,2,0,0,0,0|1,1,0]=4 3264 B13R1.129 CC(O)CNC(=O)c1cc(cs1)O d0a7faacf0b031e8d4f8c504799f3733 [0,2,0,0,0,0|1,1,0]=4 3265 B13R1.129 CC(O)CNC(=O)c1cc(no1)Br ab69f859348282f4b756410ee58ea862 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.129 CC(O)CNC(=O)c1cc(no1)Cl 87fcf8d7cd0a1a268bed60417bdaf1d2 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.129 CC(O)CNC(=O)c1cc(no1)O cc569f9f7a3d4ff1e713b500a5f56ef5 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.129 CC(O)CNC(=O)c1ccc(o1)Br 546f5eeb94ce88bc26989ea28332fdbd [0,2,0,0,0,0|1,0,0]=3 3269 B13R1.129 CC(O)CNC(=O)c1ccc(o1)Cl 1b8cc8a1835ee46a988cfb1e295e848e [0,2,0,0,0,0|1,0,0]=3 3270 B13R1.129 CC(O)CNC(=O)c1ccc(o1)F 04e8b9d5e695c3d5b75f76fd5f1e0a7d [0,2,0,0,0,0|1,0,0]=3 3271 B13R1.129 CC(O)CNC(=O)c1ccc(o1)I 6ddb97dad458872633d929398396d07f [0,2,0,0,0,0|1,0,0]=3 3272 B13R1.129 CC(O)CNC(=O)c1ccc(s1)Br f6c3d9deb64dc686d94252ece1ab21ca [0,2,0,0,0,0|1,1,0]=4 3273 B13R1.129 CC(O)CNC(=O)c1ccc(s1)Cl 12a42106b9b7be04f977d8886518a198 [0,2,0,0,0,0|1,1,0]=4 3274 B13R1.129 CC(O)CNC(=O)c1ccc(s1)F c747ef7ca33ceda2a0ee58ce7194059d [0,2,0,0,0,0|1,1,0]=4 3275 B13R1.129 CC(O)CNC(=O)c1ccc(s1)I ca02fc3229ba716d623098ac3d683596 [0,2,0,0,0,0|1,1,0]=4 3276 B13R1.129 CC(O)CNC(=O)c1cnc(o1)Br dc33e0b7ff9e8767dd1585666d8085a3 [0,2,0,0,0,0|2,0,0]=4 3277 B13R1.129 CC(O)CNC(=O)c1cnc(o1)Cl 2f78bac87bbc747490743d7ca0d1d717 [0,2,0,0,0,0|2,0,0]=4 3278 B13R1.129 CC(O)CNC(=O)c1cnc(o1)I e4e7bf632ad9c787a0d1cc0c68903884 [0,2,0,0,0,0|2,0,0]=4 3279 B13R1.129 CC(O)CNC(=O)c1cnc(o1)O c5a62b605d9e3cded4485d9e901d85fe [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.129 CC(O)CNC(=O)c1nc(co1)Br 7ec5de5bc5b7246dbb561116fd3b8b51 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.129 CC(O)CNC(=O)c1ncc(o1)Br cb1ad59d21a90459bbf7e6da20f188dd [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.129 C[C@@H](O)CNC(=O)c1cc(co1)Br bbe96606ef94e5787ec0e44350e63c71 [0,2,0,0,0,0|1,0,0]=3 3283 B13R1.129 C[C@@H](O)CNC(=O)c1cc(co1)Cl 10daf8864e2d00a8e1abecc69696a57e [0,2,0,0,0,0|1,0,0]=3 3284 B13R1.129 C[C@@H](O)CNC(=O)c1cc(cs1)Br 41779cef9d8c0fd5362f05cc8a5c4ca7 [0,2,0,0,0,0|1,1,0]=4 3285 B13R1.129 C[C@@H](O)CNC(=O)c1cc(cs1)Cl adc07b8c25db1de3bf4d553e0a7daa26 [0,2,0,0,0,0|1,1,0]=4 3286 B13R1.129 C[C@@H](O)CNC(=O)c1cc(cs1)F 0084293e228eea2b9d48b3f2e17d82d5 [0,2,0,0,0,0|1,1,0]=4 3287 B13R1.129 C[C@@H](O)CNC(=O)c1cc(cs1)O e5561bdd993bf77eb003eadb65767990 [0,2,0,0,0,0|1,1,0]=4 3288 B13R1.129 C[C@@H](O)CNC(=O)c1cc(no1)Br 683071a2ded25ee5a626154ac20b5179 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.129 C[C@@H](O)CNC(=O)c1cc(no1)Cl 9f5698151ed5638300207febacd7c38e [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.129 C[C@@H](O)CNC(=O)c1cc(no1)O a814b5b0da32548596786677f909e112 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(o1)Br c85ce33acaf5a3f182bcee312011013d [0,2,0,0,0,0|1,0,0]=3 3292 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(o1)Cl c7e588b48a103a889aaf75a1d2324ea1 [0,2,0,0,0,0|1,0,0]=3 3293 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(o1)F a98841eed37aa7ea766e6b49f5cebb38 [0,2,0,0,0,0|1,0,0]=3 3294 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(o1)I 827a4fd9942774a14d91f1ed380fadcf [0,2,0,0,0,0|1,0,0]=3 3295 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(s1)Br 302c038b7b5a92842e0497daef21169c [0,2,0,0,0,0|1,1,0]=4 3296 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(s1)Cl 2001dc49ed9540eff1930e64cdd0a46a [0,2,0,0,0,0|1,1,0]=4 3297 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(s1)F d51a073ecea8af49d185352dafdc05fc [0,2,0,0,0,0|1,1,0]=4 3298 B13R1.129 C[C@@H](O)CNC(=O)c1ccc(s1)I ff8141d5c79398fcd80e9521a57bc51e [0,2,0,0,0,0|1,1,0]=4 3299 B13R1.129 C[C@@H](O)CNC(=O)c1cnc(o1)Br 2d35c4e60da6bf38bfae8c87097c9138 [0,2,0,0,0,0|2,0,0]=4 3300 B13R1.129 C[C@@H](O)CNC(=O)c1cnc(o1)Cl 86e118825a6e4db9c4d7fdeac8303a6c [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.129 C[C@@H](O)CNC(=O)c1cnc(o1)I 53270723cf3376d0a4db2c6c90429f5d [0,2,0,0,0,0|2,0,0]=4 3302 B13R1.129 C[C@@H](O)CNC(=O)c1cnc(o1)O eb4ccb36f020b74627ab62d99ce2186d [0,2,0,0,0,0|2,0,0]=4 3303 B13R1.129 C[C@@H](O)CNC(=O)c1nc(co1)Br dcc6d0d454a2dbddda43ff309c60e6d9 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.129 C[C@@H](O)CNC(=O)c1ncc(o1)Br 1e8e49f35f289c4028b08f113e1fb742 [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.129 C[C@H](O)CNC(=O)c1cc(co1)Br 0a893c9a630d729813d4e79c14c3a44b [0,2,0,0,0,0|1,0,0]=3 3306 B13R1.129 C[C@H](O)CNC(=O)c1cc(co1)Cl ba3f945a6220d7917296cd214473f404 [0,2,0,0,0,0|1,0,0]=3 3307 B13R1.129 C[C@H](O)CNC(=O)c1cc(cs1)Br 4936d6594826a7f35c609ed7d578871f [0,2,0,0,0,0|1,1,0]=4 3308 B13R1.129 C[C@H](O)CNC(=O)c1cc(cs1)Cl 16970b96d70c669e9fd5f3e985c79b0c [0,2,0,0,0,0|1,1,0]=4 3309 B13R1.129 C[C@H](O)CNC(=O)c1cc(cs1)F 66c1c3c89656aa21a2c4dc8b3e4a5e02 [0,2,0,0,0,0|1,1,0]=4 3310 B13R1.129 C[C@H](O)CNC(=O)c1cc(cs1)O 00b0dec3dd8f2654e699367604f59d61 [0,2,0,0,0,0|1,1,0]=4 3311 B13R1.129 C[C@H](O)CNC(=O)c1cc(no1)Br d7995f30c2b8f93efa7486eb4f4e82cf [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.129 C[C@H](O)CNC(=O)c1cc(no1)Cl 31dedf6e48fad12360d8c5e115f69a60 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.129 C[C@H](O)CNC(=O)c1cc(no1)O fa10a3b8e835f64a3c8bcb157be53ba2 [0,2,0,0,0,0|2,0,0]=4 3314 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)Br d79b9e50f08b8dafa2e7ecd96a87b831 [0,2,0,0,0,0|1,0,0]=3 3315 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)Cl ee63d3271792f306b1d02f9f053f748a [0,2,0,0,0,0|1,0,0]=3 3316 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)F c2df04529acebdfc8b759c9e12268b64 [0,2,0,0,0,0|1,0,0]=3 3317 B13R1.129 C[C@H](O)CNC(=O)c1ccc(o1)I ab12b9d31dda24f20f18482916511a02 [0,2,0,0,0,0|1,0,0]=3 3318 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)Br b9e9e4ab2da6bbf2fcc8e472a5ae0895 [0,2,0,0,0,0|1,1,0]=4 3319 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)Cl c6699b046a24748902ba685b754e008c [0,2,0,0,0,0|1,1,0]=4 3320 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)F 28bc9521e63ab781dda324d65da8a9ed [0,2,0,0,0,0|1,1,0]=4 3321 B13R1.129 C[C@H](O)CNC(=O)c1ccc(s1)I 02198e99d23c2ac0b81795fd8c6d036b [0,2,0,0,0,0|1,1,0]=4 3322 B13R1.129 C[C@H](O)CNC(=O)c1cnc(o1)Br a795c790c1b5ca1d3760d57e121dd050 [0,2,0,0,0,0|2,0,0]=4 3323 B13R1.129 C[C@H](O)CNC(=O)c1cnc(o1)Cl 0c09575534350b76e6440a8ce8d58036 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.129 C[C@H](O)CNC(=O)c1cnc(o1)I 9313adde8948ab6b6a1e6f226a00f400 [0,2,0,0,0,0|2,0,0]=4 3325 B13R1.129 C[C@H](O)CNC(=O)c1cnc(o1)O 8adf9543898956267a3e90a2e8c523b8 [0,2,0,0,0,0|2,0,0]=4 3326 B13R1.129 C[C@H](O)CNC(=O)c1nc(co1)Br 61fe1ab574191781b337d05c001c5788 [0,2,0,0,0,0|2,0,0]=4 3327 B13R1.129 C[C@H](O)CNC(=O)c1ncc(o1)Br dc3937754d4433bdd79d1b8137d62b1a [0,2,0,0,0,0|2,0,0]=4 3328 B13R1.129 Cc1cc(on1)C(=O)NCC(C)C d326c1075a8db00abe898f02321f4b50 [0,2,0,0,0,0|2,0,0]=4 3329 B13R1.129 Cc1cc(on1)C(=O)NCC(C)O ea4f42f37d2d485e78fa07d9f05a5402 [0,2,0,0,0,0|2,0,0]=4 3330 B13R1.129 Cc1cc(on1)C(=O)NC[C@@H](C)O 4cbebb283be91ae7a5a3bde5b1a77877 [0,2,0,0,0,0|2,0,0]=4 3331 B13R1.129 Cc1cc(on1)C(=O)NC[C@H](C)O c9f427e8a7658c8919a65cebf30e9c1c [0,2,0,0,0,0|2,0,0]=4 3332 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)C 6aca32e6c2e417fa546578b1c1a8ae87 [0,2,0,0,0,0|1,0,0]=3 3333 B13R1.129 Cc1ccc(o1)C(=O)NCC(C)O 79853ae35f24f78626c670c5cd5ffd47 [0,2,0,0,0,0|1,0,0]=3 3334 B13R1.129 Cc1ccc(o1)C(=O)NCC(F)F d87a760a634ddcb90df78d468219ba36 [0,2,0,0,0,0|2,0,0]=4 3335 B13R1.129 Cc1ccc(o1)C(=O)NC[C@@H](C)O 87db4efdc5692bee2242d370977de27b [0,2,0,0,0,0|1,0,0]=3 3336 B13R1.129 Cc1ccc(o1)C(=O)NC[C@H](C)O e4a8d12e6d49ae18d6e0d93c3a73cdb0 [0,2,0,0,0,0|1,0,0]=3 3337 B13R1.129 Cc1ccc(o1)N(C)CCC(C)C 2ffcc455e76f2ec087b4859f708a3e5f [0,2,0,0,0,0|2,0,0]=4 3338 B13R1.129 Cc1ccc(s1)C(=O)COC(C)C 4fa922a6941177caea8c678c62a05668 [0,2,0,0,0,0|1,1,0]=4 3339 B13R1.129 Cc1ccc(s1)C(=O)NCC(C)C b3bc20ea094e108b662ac2ea2573f60b [0,2,0,0,0,0|1,1,0]=4 3340 B13R1.129 Cc1ccc(s1)C(=O)NCC(C)O d80e83b50e735de7f1762331c76d9ed8 [0,2,0,0,0,0|1,1,0]=4 3341 B13R1.129 Cc1ccc(s1)C(=O)NC[C@@H](C)O 1d83b6d8a7dfa059051d07019deb38bf [0,2,0,0,0,0|1,1,0]=4 3342 B13R1.129 Cc1ccc(s1)C(=O)NC[C@H](C)O 256c7ca7bf3091a326404300b73ace52 [0,2,0,0,0,0|1,1,0]=4 3343 B13R1.129 Cc1cnc(o1)C(=O)NCC(C)C 8a7f664cf3c3c52c63e1ca61d822846f [0,2,0,0,0,0|2,0,0]=4 3344 B13R1.129 Cc1cnc(o1)C(=O)NCC(C)O 76fbfb36cb426f48da1eb4cc2396c20a [0,2,0,0,0,0|2,0,0]=4 3345 B13R1.129 Cc1cnc(o1)C(=O)NC[C@@H](C)O 98bcac6a9ac40fee0d9ad6bac61b1083 [0,2,0,0,0,0|2,0,0]=4 3346 B13R1.129 Cc1cnc(o1)C(=O)NC[C@H](C)O 2591cbd6b0496be7d8ebc979f6942006 [0,2,0,0,0,0|2,0,0]=4 3347 B13R1.129 Cc1coc(c1)C(=O)NCC(C)C 3213c61447c6000c24b640a44d01e8c8 [0,2,0,0,0,0|1,0,0]=3 3348 B13R1.129 Cc1coc(c1)C(=O)NCC(C)O 6fb78f877254c3d3074e93496b6342aa [0,2,0,0,0,0|1,0,0]=3 3349 B13R1.129 Cc1coc(c1)C(=O)NCC(F)F d72809440232c8efb9cc643e643b918c [0,2,0,0,0,0|2,0,0]=4 3350 B13R1.129 Cc1coc(c1)C(=O)NC[C@@H](C)O 0eab3bf54e9473b82d98e9db46cc7d61 [0,2,0,0,0,0|1,0,0]=3 3351 B13R1.129 Cc1coc(c1)C(=O)NC[C@H](C)O aef66dec81da5d8af1e8883f6a6df5a8 [0,2,0,0,0,0|1,0,0]=3 3352 B13R1.129 Cc1coc(n1)C(=O)NCC(C)C 24aa5b6305cc09a53f2901fd008f4a12 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.129 Cc1coc(n1)C(=O)NCC(C)O 6b2d34c97f213c3a27921f7bd110338b [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.129 Cc1coc(n1)C(=O)NC[C@@H](C)O 750063aa8f702ab89b7d758ae937f653 [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.129 Cc1coc(n1)C(=O)NC[C@H](C)O d4fe9130cc47f4185d2a24b4546856ef [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.129 Cc1csc(c1)C(=O)NCC(C)C b9f6385ecc5a27cac4fae2b17fbdee95 [0,2,0,0,0,0|1,1,0]=4 3357 B13R1.129 Cc1csc(c1)C(=O)NCC(C)O 2474143b4841fb786359f931076a8119 [0,2,0,0,0,0|1,1,0]=4 3358 B13R1.129 Cc1csc(c1)C(=O)NC[C@@H](C)O d038a7cc97b14ef62fa7c61ec9da96f9 [0,2,0,0,0,0|1,1,0]=4 3359 B13R1.129 Cc1csc(c1)C(=O)NC[C@H](C)O ac13f293754acea965a2570cbd50628e [0,2,0,0,0,0|1,1,0]=4 3360 B13R1.129 Cc1ncc(o1)C(=O)NCC(C)C 711262062e2b6dd1da5bc07728e82493 [0,2,0,0,0,0|2,0,0]=4 3361 B13R1.129 Cc1ncc(o1)C(=O)NCC(C)O 0d21454b87f92b5be8cc413f3d979922 [0,2,0,0,0,0|2,0,0]=4 3362 B13R1.129 Cc1ncc(o1)C(=O)NC[C@@H](C)O 390031d70927ebe02acbd53a1d39324d [0,2,0,0,0,0|2,0,0]=4 3363 B13R1.129 Cc1ncc(o1)C(=O)NC[C@H](C)O 7198607a6b9aed641b2a80b301d8b3a2 [0,2,0,0,0,0|2,0,0]=4 3364 B13R1.129 O=C(NCC(F)F)c1cc(co1)Br c488218a5eacbbd1e862c81960f8db4a [0,2,0,0,0,0|2,0,0]=4 3365 B13R1.129 O=C(NCC(F)F)c1cc(co1)Cl 34a0dbe4e352c6e6c407c56ec58cc6ab [0,2,0,0,0,0|2,0,0]=4 3366 B13R1.129 O=C(NCC(F)F)c1ccc(o1)Br 56fc54a3f5b588ad6b13b322669a6046 [0,2,0,0,0,0|2,0,0]=4 3367 B13R1.129 O=C(NCC(F)F)c1ccc(o1)Cl d8a3130fe44eba4545f12e4154a80211 [0,2,0,0,0,0|2,0,0]=4 3368 B13R1.129 O=C(NCC(F)F)c1ccc(o1)F 52f5bf4d5a28433c5bcf25ce76d90387 [0,2,0,0,0,0|2,0,0]=4 3369 B13R1.129 O=C(NCC(F)F)c1ccc(o1)I 1e9988a8c4ce4a0796c1af6145563ac5 [0,2,0,0,0,0|2,0,0]=4 3370 B13R1.679 C#Cc1ccc(o1)C(=O)NCCBr 832c652ca6d85136b344769751767476 [0,2,0,0,0,0|2,0,0]=4 3371 B13R1.679 C#Cc1ccc(o1)C(=O)NCCC 4ef5e3b79d0eb5b2cc94effd29891027 [0,2,0,0,0,0|1,0,0]=3 3372 B13R1.679 C#Cc1ccc(o1)C(=O)NCCF ff9debd777546c92960120fa49b8cb14 [0,2,0,0,0,0|2,0,0]=4 3373 B13R1.679 C#Cc1ccc(o1)C(=O)NCCI 10428ba8d6225e505dc283a1f5c52252 [0,2,0,0,0,0|2,0,0]=4 3374 B13R1.679 C#Cc1ccc(o1)C(=O)NCCO 6666848484912fea3b038c9dc193f31b [0,2,0,0,0,0|2,0,0]=4 3375 B13R1.679 C#Cc1ccc(o1)C(=O)NCCS 5511ed8ecdbfedc81fe3b73c1d7faa09 [0,2,0,0,0,0|2,0,0]=4 3376 B13R1.679 C#Cc1ccc(s1)C(=O)NCCC c93b910da8303ecfc068739da858875b [0,2,0,0,0,0|1,1,0]=4 3377 B13R1.679 CCCCN(C)c1ccc(o1)C=O d5f387aeee05726ba39341ff3f11aa99 [0,2,0,0,0,0|2,0,0]=4 3378 B13R1.679 CCCCN(C)c1ccc(o1)CC 3ec0b696817150d199e4f9051fbb0840 [0,2,0,0,0,0|2,0,0]=4 3379 B13R1.679 CCCNC(=O)c1cc(co1)C#N 713db5a03ddd62a6ba978c2e3def72fa [0,2,0,0,0,0|1,0,0]=3 3380 B13R1.679 CCCNC(=O)c1cc(co1)C=O e3c1cd595397ad066bd1dc9417cb0939 [0,2,0,0,0,0|1,0,0]=3 3381 B13R1.679 CCCNC(=O)c1cc(co1)CO bd6e87ce0dd28ee08366e7e084851604 [0,2,0,0,0,0|1,0,0]=3 3382 B13R1.679 CCCNC(=O)c1cc(cs1)C#N 51c9620671bca2bb3d738442a38c4516 [0,2,0,0,0,0|1,1,0]=4 3383 B13R1.679 CCCNC(=O)c1cc(cs1)C=O 453194e88fdf6704f29399f4c29aa33d [0,2,0,0,0,0|1,1,0]=4 3384 B13R1.679 CCCNC(=O)c1cc(cs1)CC caeaf8c33ec774b701dacb24bca0c3ff [0,2,0,0,0,0|1,1,0]=4 3385 B13R1.679 CCCNC(=O)c1cc(cs1)CO 9521906a20d6b992198c7ff4586dc692 [0,2,0,0,0,0|1,1,0]=4 3386 B13R1.679 CCCNC(=O)c1cc(cs1)OC e7cc4484b3425c6a12413a6b8d5a3dc6 [0,2,0,0,0,0|1,1,0]=4 3387 B13R1.679 CCCNC(=O)c1cc(no1)CC 24d3ef7d28d31b3f1275be8c2316591d [0,2,0,0,0,0|2,0,0]=4 3388 B13R1.679 CCCNC(=O)c1cc(no1)OC 1816bdf2b2d0918dabcc1af694ce4886 [0,2,0,0,0,0|2,0,0]=4 3389 B13R1.679 CCCNC(=O)c1ccc(o1)C#N dc28db8ff2cfc79f79f88af210a8d499 [0,2,0,0,0,0|1,0,0]=3 3390 B13R1.679 CCCNC(=O)c1ccc(o1)C=O 0e23ceb71e6c7185f89a4ffea54c1bb9 [0,2,0,0,0,0|1,0,0]=3 3391 B13R1.679 CCCNC(=O)c1ccc(o1)CC a80f03192db8a0674027c83b2da9c409 [0,2,0,0,0,0|1,0,0]=3 3392 B13R1.679 CCCNC(=O)c1ccc(o1)CO a94eeed1d6ed288be5d129626ce024b7 [0,2,0,0,0,0|1,0,0]=3 3393 B13R1.679 CCCNC(=O)c1ccc(o1)OC 0c1174040c0a7240c696636be6bcad73 [0,2,0,0,0,0|1,0,0]=3 3394 B13R1.679 CCCNC(=O)c1ccc(s1)C#N ffee1f6fddaa50339f6d288b0ee9abd7 [0,2,0,0,0,0|1,1,0]=4 3395 B13R1.679 CCCNC(=O)c1ccc(s1)C=O 470d57d32eef08f49ec7db6508a86514 [0,2,0,0,0,0|1,1,0]=4 3396 B13R1.679 CCCNC(=O)c1ccc(s1)CC eb0518f14c60bf0fcd30dad6c3141c90 [0,2,0,0,0,0|1,1,0]=4 3397 B13R1.679 CCCNC(=O)c1ccc(s1)OC 351c44df35841a85e0fb8192c37c4c06 [0,2,0,0,0,0|1,1,0]=4 3398 B13R1.679 CCCNC(=O)c1ccc(s1)SC d1eb3af59ba42c0b03b2c03be823008f [0,2,0,0,0,0|1,1,0]=4 3399 B13R1.679 CCCNC(=O)c1cnc(o1)CC 1199f3377d7bc599bdd738dec1266aad [0,2,0,0,0,0|2,0,0]=4 3400 B13R1.679 CCCNC(=O)c1cnc(o1)CO ed29da8d179dca7c2730480b8c679bcf [0,2,0,0,0,0|2,0,0]=4 3401 B13R1.679 CCCNC(=O)c1cnc(o1)OC 1fc804360becddd3a0a992213407ee0e [0,2,0,0,0,0|2,0,0]=4 3402 B13R1.679 CCCNC(=O)c1nc(co1)CO 1d8c1c5e3f2609c05f92b01d8dc7af71 [0,2,0,0,0,0|2,0,0]=4 3403 B13R1.679 CCCNC(=O)c1ncc(o1)CO 76b05852a5025ae7d1944d6e8bf063a2 [0,2,0,0,0,0|2,0,0]=4 3404 B13R1.679 CCCNC(=O)c1ncc(o1)OC 357306efddd0e49158968cf6f63d4de0 [0,2,0,0,0,0|2,0,0]=4 3405 B13R1.679 CCc1ccc(o1)C(=O)NCCBr 2ae17d92fd35940b05c03f6416edf4d1 [0,2,0,0,0,0|2,0,0]=4 3406 B13R1.679 CCc1ccc(o1)C(=O)NCCF e7660dfd04cb04f0809e5dfedcf28c20 [0,2,0,0,0,0|2,0,0]=4 3407 B13R1.679 CCc1ccc(o1)C(=O)NCCI a2fcff586477c9161f64a89c0a44e56d [0,2,0,0,0,0|2,0,0]=4 3408 B13R1.679 CCc1ccc(o1)C(=O)NCCO fbc116bfdce44e460a3a930732ac535e [0,2,0,0,0,0|2,0,0]=4 3409 B13R1.679 CCc1ccc(o1)C(=O)NCCS e386edb1474390642f379770c9aa3051 [0,2,0,0,0,0|2,0,0]=4 3410 B13R1.679 COc1ccc(o1)C(=O)NCCBr c9ef63114cc5d14ce944ab477a9c7c23 [0,2,0,0,0,0|2,0,0]=4 3411 B13R1.679 COc1ccc(o1)C(=O)NCCF be23362ae4c93ba73b7a2f7815e80a5b [0,2,0,0,0,0|2,0,0]=4 3412 B13R1.679 COc1ccc(o1)C(=O)NCCI 39c0b418f3bc77efddaf2775c455fce3 [0,2,0,0,0,0|2,0,0]=4 3413 B13R1.679 COc1ccc(o1)C(=O)NCCO 8538e3d80aac60d02dbcce84016eb7ed [0,2,0,0,0,0|2,0,0]=4 3414 B13R1.679 COc1ccc(o1)C(=O)NCCS ef9b8c0f48ea47eb0e39bb4f344c7ee0 [0,2,0,0,0,0|2,0,0]=4 3415 B13R1.679 N#Cc1ccc(o1)C(=O)NCCBr c9977b1f55f6d58520e795922a346bed [0,2,0,0,0,0|2,0,0]=4 3416 B13R1.679 N#Cc1ccc(o1)C(=O)NCCF d4774c36497a35683a62f913649a9c2a [0,2,0,0,0,0|2,0,0]=4 3417 B13R1.679 N#Cc1ccc(o1)C(=O)NCCI f810639c79672a7ff911f709f15cec8c [0,2,0,0,0,0|2,0,0]=4 3418 B13R1.679 N#Cc1ccc(o1)C(=O)NCCO 0e829fd4519ca8af43a04ebf91c5f58a [0,2,0,0,0,0|2,0,0]=4 3419 B13R1.679 N#Cc1ccc(o1)C(=O)NCCS aea27ad4118a7620132f77df0660118e [0,2,0,0,0,0|2,0,0]=4 3420 B13R1.679 N#Cc1coc(c1)C(=O)NCCBr 2a8aefc5a19fff09d958fc2de9d95358 [0,2,0,0,0,0|2,0,0]=4 3421 B13R1.679 N#Cc1coc(c1)C(=O)NCCF 1c728f90af896b05887914c2c642cd0d [0,2,0,0,0,0|2,0,0]=4 3422 B13R1.679 N#Cc1coc(c1)C(=O)NCCI 0318232e1cebf9f170c5bdac583dfad3 [0,2,0,0,0,0|2,0,0]=4 3423 B13R1.679 N#Cc1coc(c1)C(=O)NCCO 4e3cca4bb46e8cad1cbe5c2656625590 [0,2,0,0,0,0|2,0,0]=4 3424 B13R1.679 N#Cc1coc(c1)C(=O)NCCS 52a6b891712ad8303cd79189fdf4a08b [0,2,0,0,0,0|2,0,0]=4 3425 B13R1.679 O=C(NCCBr)c1cc(co1)CO fc194afc9f84fbd31bf67c1712f7c087 [0,2,0,0,0,0|2,0,0]=4 3426 B13R1.679 O=C(NCCBr)c1ccc(o1)CO 4cfbeaa7fd6519c054324129c0e3103a [0,2,0,0,0,0|2,0,0]=4 3427 B13R1.679 O=C(NCCF)c1cc(co1)CO b9102d7baaf79cee100e3c24052b7155 [0,2,0,0,0,0|2,0,0]=4 3428 B13R1.679 O=C(NCCF)c1ccc(o1)CO 70b191d651823f838436b3a57c883d62 [0,2,0,0,0,0|2,0,0]=4 3429 B13R1.679 O=C(NCCI)c1cc(co1)CO e39154d91822e700fed83804300a3c4f [0,2,0,0,0,0|2,0,0]=4 3430 B13R1.679 O=C(NCCI)c1ccc(o1)CO 6facb566eafcbabae6ca55fbcb2f7581 [0,2,0,0,0,0|2,0,0]=4 3431 B13R1.679 O=C(NCCO)c1cc(co1)CO 8bd16fd82a7db213e0aab69c8214fd22 [0,2,0,0,0,0|2,0,0]=4 3432 B13R1.679 O=C(NCCO)c1ccc(o1)CO dad5b0f7af00fa232c33ea2f2da60115 [0,2,0,0,0,0|2,0,0]=4 3433 B13R1.679 O=C(NCCS)c1cc(co1)CO 7cb6fc2fe0d958e8d8da68577bc24bdb [0,2,0,0,0,0|2,0,0]=4 3434 B13R1.679 O=C(NCCS)c1ccc(o1)CO c0bcdcd62b32264dfbe5e9459f58a8ab [0,2,0,0,0,0|2,0,0]=4 3435 B13R1.679 O=Cc1ccc(o1)C(=O)NCCBr b9542059adb1be1fa32a49c30debd09c [0,2,0,0,0,0|2,0,0]=4 3436 B13R1.679 O=Cc1ccc(o1)C(=O)NCCF 167756cbd6c5bd152efdb566998c3980 [0,2,0,0,0,0|2,0,0]=4 3437 B13R1.679 O=Cc1ccc(o1)C(=O)NCCI 1b84a95ffd55fa0c79a584af122506ff [0,2,0,0,0,0|2,0,0]=4 3438 B13R1.679 O=Cc1ccc(o1)C(=O)NCCO 24b79142121214b7f9245c78bacbcf0d [0,2,0,0,0,0|2,0,0]=4 3439 B13R1.679 O=Cc1ccc(o1)C(=O)NCCS 424ba2a58f419084db53a46924ab1ada [0,2,0,0,0,0|2,0,0]=4 3440 B13R1.679 O=Cc1coc(c1)C(=O)NCCBr 05a3926705ab8f8050ffa7ef17e03bc6 [0,2,0,0,0,0|2,0,0]=4 3441 B13R1.679 O=Cc1coc(c1)C(=O)NCCF 37a23a9f6bc74be24bafdf6fb44b3b9a [0,2,0,0,0,0|2,0,0]=4 3442 B13R1.679 O=Cc1coc(c1)C(=O)NCCI 5eef25a94a31b01eaf6df7f6697acb15 [0,2,0,0,0,0|2,0,0]=4 3443 B13R1.679 O=Cc1coc(c1)C(=O)NCCO f8c9568b8e3e371ebdd2f4339bbe8d3a [0,2,0,0,0,0|2,0,0]=4 3444 B13R1.679 O=Cc1coc(c1)C(=O)NCCS 4374ddd1c9871ddb40fa13e1228bb579 [0,2,0,0,0,0|2,0,0]=4 3445 B13R1.680 CCCNC(=O)c1cc(cn1C)Br 113735e1f7dccc5ab28b23d0ec99cb1a [0,2,0,0,0,0|2,0,0]=4 3446 B13R1.680 CCCNC(=O)c1cc(cn1C)Cl 6e5e8ef7858a0f7f76a4bc805224f0d6 [0,2,0,0,0,0|2,0,0]=4 3447 B13R1.680 CCCNC(=O)c1cc(cn1C)F d8480ba4ee7c46cc7cc6b8787b4a85d8 [0,2,0,0,0,0|2,0,0]=4 3448 B13R1.680 CCCNC(=O)c1cc(cn1C)I 5d59e78c62914828de60fe0142d59df8 [0,2,0,0,0,0|2,0,0]=4 3449 B13R1.680 CCCNC(=O)c1oc(cc1C)Br 3997cafbef22d1639e24e0e94f37ad81 [0,2,0,0,0,0|1,0,0]=3 3450 B13R1.680 CCCNC(=O)c1oc(nc1C)Br e7ceade373de08aeefb0df0d2e4eb4ed [0,2,0,0,0,0|2,0,0]=4 3451 B13R1.680 CCCNC(=O)c1oc(nc1C)C cac308ff11412118cccb9e52c45b35dc [0,2,0,0,0,0|2,0,0]=4 3452 B13R1.680 CCCNC(=O)c1sc(cc1Br)Br 104ba9673242651a3202f2c85e7565ec [0,2,0,0,0,0|1,1,0]=4 3453 B13R1.680 CCCNC(=O)c1sc(cc1Br)C d7255e190d4dc58dd0af2169060b4b71 [0,2,0,0,0,0|1,1,0]=4 3454 B13R1.680 CCCNC(=O)c1sc(cc1Br)Cl 9711d9f8eb86565eeb8796e78c6f3820 [0,2,0,0,0,0|1,1,0]=4 3455 B13R1.680 CCCNC(=O)c1sc(cc1Br)I c9ba8aecfe2558e6291b504b8e494a77 [0,2,0,0,0,0|1,1,0]=4 3456 B13R1.680 CCCNC(=O)c1sc(cc1C)Br de5a3d8f242718139dc91a27134fb448 [0,2,0,0,0,0|1,1,0]=4 3457 B13R1.680 CCCNC(=O)c1sc(cc1C)C 3026ddea952397f492d065b8c0483163 [0,2,0,0,0,0|1,1,0]=4 3458 B13R1.680 CCCNC(=O)c1sc(cc1Cl)Br e3c15871f840a1e274c91ab59d681364 [0,2,0,0,0,0|1,1,0]=4 3459 B13R1.680 CCCNC(=O)c1sc(cc1Cl)C d4d6c4faf1c5ef53caa78db3d4309c07 [0,2,0,0,0,0|1,1,0]=4 3460 B13R1.680 CCCNC(=O)c1sc(cc1Cl)Cl ff20a6c649b4ef61c19253c2cc95f51c [0,2,0,0,0,0|1,1,0]=4 3461 B13R1.680 CCCNC(=O)c1sc(cc1F)Br 36ebf67ddcf00718eb8c2443ed6d0f0c [0,2,0,0,0,0|1,1,0]=4 3462 B13R1.680 CCCNC(=O)c1sc(cc1I)C efa9ac63e1ebb66f54725f3ded32e869 [0,2,0,0,0,0|1,1,0]=4 3463 B13R1.680 Cc1cc(oc1C(=O)NCCBr)Br e11a835db2701836d27bb7e1b5fe0382 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.680 Cc1cc(oc1C(=O)NCCF)Br 555036f363842d2a3ad288a893a4bfd6 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.680 Cc1cc(oc1C(=O)NCCI)Br ce0b0bd239af28b820888099c2da2333 [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.680 Cc1cc(oc1C(=O)NCCO)Br 598b766bb46dd904b0524c9c277c3e49 [0,2,0,0,0,0|2,0,0]=4 3467 B13R1.680 Cc1cc(oc1C(=O)NCCS)Br 4591e822046bf7b1c68a7169a2dcc5bd [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.681 CCCNC(=O)c1cc(c(o1)Br)Br 3390930e17e19d7fc2703c0949289fb3 [0,2,0,0,0,0|1,0,0]=3 3469 B13R1.681 CCCNC(=O)c1cc(c(o1)C)Br 9850d8426a34b4fd6c3fc2108f9564b5 [0,2,0,0,0,0|1,0,0]=3 3470 B13R1.681 CCCNC(=O)c1cc(c(o1)C)C f9102b2776561aff2b985fad2b5953e1 [0,2,0,0,0,0|1,0,0]=3 3471 B13R1.681 CCCNC(=O)c1cc(c(o1)I)Br 42ab120915e87e2def44c0d62b4353e1 [0,2,0,0,0,0|1,0,0]=3 3472 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)Br 5a5c1e06b265eaf03338e170ec96ac14 [0,2,0,0,0,0|1,1,0]=4 3473 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)C 34142dc1a8c61ffd35c66d456a2a4823 [0,2,0,0,0,0|1,1,0]=4 3474 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)Cl 0f115269650fbf98445e9b6d0c44ad7f [0,2,0,0,0,0|1,1,0]=4 3475 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)F 2c775686e590c51c93f5979498d42b04 [0,2,0,0,0,0|1,1,0]=4 3476 B13R1.681 CCCNC(=O)c1cc(c(s1)Br)O e208d1b18cb08c22ed876d8540dc37a1 [0,2,0,0,0,0|1,1,0]=4 3477 B13R1.681 CCCNC(=O)c1cc(c(s1)C)Br c16e6a1c2724e919b3a41beb10e50d2a [0,2,0,0,0,0|1,1,0]=4 3478 B13R1.681 CCCNC(=O)c1cc(c(s1)C)C 13bbcc9f8e16dedf0ff2a6a2f279e149 [0,2,0,0,0,0|1,1,0]=4 3479 B13R1.681 CCCNC(=O)c1cc(c(s1)C)Cl 3165bb0bd12b158538f14f04171db552 [0,2,0,0,0,0|1,1,0]=4 3480 B13R1.681 CCCNC(=O)c1cc(c(s1)C)I 69c7646f532e619e3e3153a3fb86ac6d [0,2,0,0,0,0|1,1,0]=4 3481 B13R1.681 CCCNC(=O)c1cc(c(s1)Cl)Br 9eda06e4733f7c34151bfda27d1eddb1 [0,2,0,0,0,0|1,1,0]=4 3482 B13R1.681 CCCNC(=O)c1cc(c(s1)Cl)C 1ec389a1c16f924beb20506c87d406f3 [0,2,0,0,0,0|1,1,0]=4 3483 B13R1.681 CCCNC(=O)c1cc(c(s1)Cl)Cl 109d157c4d0705be1a033c0d9fb1d257 [0,2,0,0,0,0|1,1,0]=4 3484 B13R1.681 CCCNC(=O)c1cc(c(s1)Cl)F bf11d3de3aaeb4b47b12665f50d2ed73 [0,2,0,0,0,0|1,1,0]=4 3485 B13R1.681 CCCNC(=O)c1cc(c(s1)F)Br 15cb729c3e37dbc5f52e44456ab81176 [0,2,0,0,0,0|1,1,0]=4 3486 B13R1.681 CCCNC(=O)c1cc(c(s1)I)C 45cd8f7118a156b6cbb99752b0556146 [0,2,0,0,0,0|1,1,0]=4 3487 B13R1.681 CCCNC(=O)c1nc(c(o1)Br)Br 52537b77f6eecbaf8de4bcc0471f0a27 [0,2,0,0,0,0|2,0,0]=4 3488 B13R1.681 CCCNC(=O)c1nc(c(o1)Br)C 335ad6379fdde64fafe0615dfe3a8362 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.681 CCCNC(=O)c1nc(c(o1)C)Br bdb82c5b13b3ac006563b830dc6cb3be [0,2,0,0,0,0|2,0,0]=4 3490 B13R1.681 CCCNC(=O)c1nc(c(o1)C)C 591f352c5bd79982a5958e5add89fad2 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.681 Cc1cc(oc1C)C(=O)NCCBr 69ee32b54aa0934f8ace731dff2a3ead [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.681 Cc1cc(oc1C)C(=O)NCCF 5c5ef22969bd63652125533b15a1ee8a [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.681 Cc1cc(oc1C)C(=O)NCCI 4f63f11b902ffbc87fb69df32cc69aab [0,2,0,0,0,0|2,0,0]=4 3494 B13R1.681 Cc1cc(oc1C)C(=O)NCCO 8adb84e3617e8cd938cadc7dfddaea61 [0,2,0,0,0,0|2,0,0]=4 3495 B13R1.681 Cc1cc(oc1C)C(=O)NCCS 17f95686002c30e9872bcefaf3ddfd47 [0,2,0,0,0,0|2,0,0]=4 3496 B13R1.681 Cc1oc(cc1Br)C(=O)NCCBr 73d1d7d541d6c885d5484d819f86a3c1 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.681 Cc1oc(cc1Br)C(=O)NCCF 84676ab779c8dd1f95b8a0440251723c [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.681 Cc1oc(cc1Br)C(=O)NCCI 1c231f8c18e5656c469cdb9a3e54227a [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.681 Cc1oc(cc1Br)C(=O)NCCO ac8267b6ce10c68942b9751c833e34fe [0,2,0,0,0,0|2,0,0]=4 3500 B13R1.681 Cc1oc(cc1Br)C(=O)NCCS 2b7d2fc3571257b0302db4d0c6c880ce [0,2,0,0,0,0|2,0,0]=4 3501 B13R1.681 O=C(NCCBr)c1cc(c(o1)Br)Br d6df92803b9fabeae04ae7eda01d6f54 [0,2,0,0,0,0|2,0,0]=4 3502 B13R1.681 O=C(NCCBr)c1cc(c(o1)I)Br c797b93902b38bd4bedf6df6e5e37cac [0,2,0,0,0,0|2,0,0]=4 3503 B13R1.681 O=C(NCCF)c1cc(c(o1)Br)Br 19a9ad1c26a63200ceae517c925a1a2a [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.681 O=C(NCCF)c1cc(c(o1)I)Br f0edc81b1de31837f4e15271832502b7 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.681 O=C(NCCI)c1cc(c(o1)Br)Br e898c8f3485c5d3b49bad2476a0b75cd [0,2,0,0,0,0|2,0,0]=4 3506 B13R1.681 O=C(NCCI)c1cc(c(o1)I)Br 7c3ea8dcc31bd2e557cf75ba18a0e50c [0,2,0,0,0,0|2,0,0]=4 3507 B13R1.681 O=C(NCCO)c1cc(c(o1)Br)Br d6c67c72160fd544d6c1936b5b015239 [0,2,0,0,0,0|2,0,0]=4 3508 B13R1.681 O=C(NCCO)c1cc(c(o1)I)Br 85d8ce1b411f464b331b763c73968248 [0,2,0,0,0,0|2,0,0]=4 3509 B13R1.681 O=C(NCCS)c1cc(c(o1)Br)Br e5142eb110a8ca36be88e7efc17a24fd [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.681 O=C(NCCS)c1cc(c(o1)I)Br 4a9a300b917cfc9e86d1a5dab96befce [0,2,0,0,0,0|2,0,0]=4 3511 B13R1.2505 CCCNC(=O)c1ccc(n1C)Br d3d1c1269568d7ae6b3281a9ca671a73 [0,2,0,0,0,0|2,0,0]=4 3512 B13R1.2505 CCCNC(=O)c1ccc(n1C)C bc639b1de061b9f3606f4bbfd44cba38 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.2505 CCCNC(=O)c1occ(c1Br)Br 1d33f5eead7faea7f352aff1d9dcd81b [0,2,0,0,0,0|1,0,0]=3 3514 B13R1.2505 CCCNC(=O)c1scc(c1Br)Br e49e6960193c0f4d5618617bd4adf04d [0,2,0,0,0,0|1,1,0]=4 3515 B13R1.2505 CCCNC(=O)c1scc(c1Br)C ac11e49ca6153a7af94745c3afeec1cf [0,2,0,0,0,0|1,1,0]=4 3516 B13R1.2505 CCCNC(=O)c1scc(c1C)Br d3c278979692ac2ce42a51ea025bbf09 [0,2,0,0,0,0|1,1,0]=4 3517 B13R1.2505 CCCNC(=O)c1scc(c1C)C 3aedfa1c45105bd46faac0daea9e6539 [0,2,0,0,0,0|1,1,0]=4 3518 B13R1.2505 CCCNC(=O)c1scc(c1Cl)C 19aaac7d9f5d2f63665783c3e1bd4c6e [0,2,0,0,0,0|1,1,0]=4 3519 B13R1.2505 CCCNC(=O)c1scc(c1Cl)Cl 4e1f577cab2ad3fda5d9f97983721daf [0,2,0,0,0,0|1,1,0]=4 3520 B13R1.2505 CCCNC(=O)c1scc(c1I)C fa43ace3e06870f95c8e1468c2a8142f [0,2,0,0,0,0|1,1,0]=4 3521 B13R1.2505 O=C(NCCBr)c1occ(c1Br)Br abd9bf38f7a1a46c05a30acf152d5790 [0,2,0,0,0,0|2,0,0]=4 3522 B13R1.2505 O=C(NCCF)c1occ(c1Br)Br 707e91716676770f3e7dfe62da48a26e [0,2,0,0,0,0|2,0,0]=4 3523 B13R1.2505 O=C(NCCI)c1occ(c1Br)Br 1388fce9497b3f8495e44007b39b9231 [0,2,0,0,0,0|2,0,0]=4 3524 B13R1.2505 O=C(NCCO)c1occ(c1Br)Br c0cf558dbc69be83e1d921feeeff55de [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.2505 O=C(NCCS)c1occ(c1Br)Br f2db12d9c11dec47a6df8c57ffd2d503 [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.48 C#CCCCNC(=O)c1ccco1 b3bfe77a819364d40509efaa895fb4b3 [0,2,0,0,0,0|0,0,1]=3 3527 B13R1.48 C#CCCCNC(=O)c1cccs1 e3f6dcc74040499582f96dfe37678acc [0,2,0,0,0,0|0,1,1]=4 3528 B13R1.48 C#CCCCNC(=O)c1ccno1 0e6e5e88718b4aa6dcbc449a335300fa [0,2,0,0,0,0|1,0,1]=4 3529 B13R1.48 C#CCCCNC(=O)c1cnco1 5eea5be1a20400d17c84cf93c7b4cd9a [0,2,0,0,0,0|1,0,1]=4 3530 B13R1.48 C#CCCCNC(=O)c1ncco1 2334fb8379c1ffe70918953dc1b66a81 [0,2,0,0,0,0|1,0,1]=4 3531 B13R1.48 C#CCCNCC(=O)c1ccc[nH]1 eae2fdb32585b6fcd4fcd666fc79c69a [0,2,0,0,0,0|1,0,1]=4 3532 B13R1.48 C#CCCNCC(=O)c1ccco1 fa982e5cdba27f0682305e6d32795920 [0,2,0,0,0,0|0,0,1]=3 3533 B13R1.48 C#CCCNCC(=O)c1cccs1 a4f0d4e9464bbc889a69303917a63d21 [0,2,0,0,0,0|0,1,1]=4 3534 B13R1.48 C#CCCNCC(=O)c1ncco1 a1f20932784974a7c3d4f64904d8eede [0,2,0,0,0,0|1,0,1]=4 3535 B13R1.48 C#CCCOCC(=O)c1ccc[nH]1 e3a6a200f2a267f3366811b1896fb1a3 [0,2,0,0,0,0|1,0,1]=4 3536 B13R1.48 C#CCCOCC(=O)c1ccco1 4c3b073fb4b28ace80ab9a26088e9bb9 [0,2,0,0,0,0|0,0,1]=3 3537 B13R1.48 C#CCCOCC(=O)c1cccs1 f3a45f81a74ad44364394b79b3b9e907 [0,2,0,0,0,0|0,1,1]=4 3538 B13R1.48 C#CCCOCC(=O)c1ncco1 57cd922c6f25db920c3a690168efdc02 [0,2,0,0,0,0|1,0,1]=4 3539 B13R1.48 C#CCNCCC(=O)c1cccs1 7c9545a074e289f2204ca34168b27edd [0,2,0,0,0,0|0,1,1]=4 3540 B13R1.48 C/C=C/COCC(=O)c1ccc[nH]1 2e16d6eeda2aaaa630b2ea0f2a61a128 [0,2,0,0,0,0|1,0,1]=4 3541 B13R1.48 C/C=C/COCC(=O)c1ccco1 633f81b685285282675e0315bdc22fdd [0,2,0,0,0,0|0,0,1]=3 3542 B13R1.48 C/C=C/COCC(=O)c1cccs1 2a5982091d9077700bb095bd0746d170 [0,2,0,0,0,0|0,1,1]=4 3543 B13R1.48 C/C=C/COCC(=O)c1ncco1 6f64076986e0a311045c9571387713b8 [0,2,0,0,0,0|1,0,1]=4 3544 B13R1.48 C/C=C\COCC(=O)c1ccc[nH]1 1137d7607672da202cff2572409dea83 [0,2,0,0,0,0|1,0,1]=4 3545 B13R1.48 C/C=C\COCC(=O)c1ccco1 5a96d9e7ff9d2fb289c2f1109a5d4c28 [0,2,0,0,0,0|0,0,1]=3 3546 B13R1.48 C/C=C\COCC(=O)c1cccs1 7792f4f90ca930822d0f7dd455ffc859 [0,2,0,0,0,0|0,1,1]=4 3547 B13R1.48 C/C=C\COCC(=O)c1ncco1 49c56489465f1f8bb60522ca240207f3 [0,2,0,0,0,0|1,0,1]=4 3548 B13R1.48 C=CCCCNC(=O)c1ccco1 4f2d35e3f0d6b5eb6f396eccbdd1b326 [0,2,0,0,0,0|0,0,1]=3 3549 B13R1.48 C=CCCCNC(=O)c1cccs1 5d7100da758c91940df0880f9ec20c03 [0,2,0,0,0,0|0,1,1]=4 3550 B13R1.48 C=CCCCNC(=O)c1ccno1 1ddd4c156ca47b5d4d6c945ceccc7819 [0,2,0,0,0,0|1,0,1]=4 3551 B13R1.48 C=CCCCNC(=O)c1cnco1 35cb10d75250d124033e162415acadf2 [0,2,0,0,0,0|1,0,1]=4 3552 B13R1.48 C=CCCCNC(=O)c1ncco1 12297274b5d44dd5878b908272a3aace [0,2,0,0,0,0|1,0,1]=4 3553 B13R1.48 C=CCCNCC(=O)c1ccc[nH]1 c519bf08b4f573393d7c6f2949cc0e8f [0,2,0,0,0,0|1,0,1]=4 3554 B13R1.48 C=CCCNCC(=O)c1ccco1 35e0a2fa7d27fabd46a82cc9b42b98e3 [0,2,0,0,0,0|0,0,1]=3 3555 B13R1.48 C=CCCNCC(=O)c1cccs1 cd2c9be19aa8f806b1724009b684cd11 [0,2,0,0,0,0|0,1,1]=4 3556 B13R1.48 C=CCCNCC(=O)c1ncco1 00ea438c7f932c8e0fdfaabc16de77c4 [0,2,0,0,0,0|1,0,1]=4 3557 B13R1.48 C=CCCOCC(=O)c1ccc[nH]1 a230a1f7f165320d2f69d2d9038f2ecc [0,2,0,0,0,0|1,0,1]=4 3558 B13R1.48 C=CCCOCC(=O)c1ccco1 f1665940c7a676e466cdef79aa4e275f [0,2,0,0,0,0|0,0,1]=3 3559 B13R1.48 C=CCCOCC(=O)c1cccs1 81de47c27312a89d7c84743c1caa542b [0,2,0,0,0,0|0,1,1]=4 3560 B13R1.48 C=CCCOCC(=O)c1ncco1 801d8c58e01f946ef4ffc51518e56618 [0,2,0,0,0,0|1,0,1]=4 3561 B13R1.48 C=COCCNC(=O)c1ccco1 ae5e9f61caf140e0942d6aabc8d12d81 [0,2,0,0,0,0|0,0,2]=4 3562 B13R1.48 CC#CCNCC(=O)c1ccco1 5cda7125f97b6a648211778841b7bfd8 [0,2,0,0,0,0|0,0,1]=3 3563 B13R1.48 CC#CCNCC(=O)c1cccs1 704103b0ab126848716eae4e9b45f8b0 [0,2,0,0,0,0|0,1,1]=4 3564 B13R1.48 CC#CCOCC(=O)c1ccco1 be226cda330b4512d720cc7a9bb5fa67 [0,2,0,0,0,0|0,0,1]=3 3565 B13R1.48 CC#CCOCC(=O)c1cccs1 0037d49c763dcafd184a2cebb6402b00 [0,2,0,0,0,0|0,1,1]=4 3566 B13R1.48 CC#CCOCC(=O)c1ncco1 a53a943bf84832cb06220607d6dd0da4 [0,2,0,0,0,0|1,0,1]=4 3567 B13R1.48 CC(NCCCCF)c1ccco1 6ffc70856811fc1c75d46739a1e4d945 [0,2,0,0,0,0|1,0,1]=4 3568 B13R1.48 CC(NCCCCO)c1ccco1 a8ac1cf939c94354299ebea3dc77f278 [0,2,0,0,0,0|1,0,1]=4 3569 B13R1.48 CC(OCCCCF)c1ccco1 d7d9956df2da170dbd00c163cdba01ac [0,2,0,0,0,0|1,0,1]=4 3570 B13R1.48 CC=CCNCC(=O)c1ccc[nH]1 cb0f5b4dc6e2955f65adf7a7fa918726 [0,2,0,0,0,0|1,0,1]=4 3571 B13R1.48 CC=CCNCC(=O)c1ccco1 c2af075de598be5990191059bc6ffea4 [0,2,0,0,0,0|0,0,1]=3 3572 B13R1.48 CC=CCNCC(=O)c1cccs1 8ebf86fbd2541fac3ea5bfea5eb13fbc [0,2,0,0,0,0|0,1,1]=4 3573 B13R1.48 CC=CCNCC(=O)c1ncco1 044bb6b7a693c669771733496ba88b6f [0,2,0,0,0,0|1,0,1]=4 3574 B13R1.48 CC=CCOCC(=O)c1ccc[nH]1 057346375075b4c21068819bb945802b [0,2,0,0,0,0|1,0,1]=4 3575 B13R1.48 CC=CCOCC(=O)c1ccco1 498597c776669a559dae1f6722be736a [0,2,0,0,0,0|0,0,1]=3 3576 B13R1.48 CC=CCOCC(=O)c1cccs1 0faf883001d162cc217bced96779a171 [0,2,0,0,0,0|0,1,1]=4 3577 B13R1.48 CC=CCOCC(=O)c1ncco1 38ee0e0004c793b79fb25182ce1c9ea2 [0,2,0,0,0,0|1,0,1]=4 3578 B13R1.48 CCCCCNC(=O)c1ccco1 6dc310eccc36aa6ca724e7c169385495 [0,2,0,0,0,0|0,0,0]=2 3579 B13R1.48 CCCCCNC(=O)c1cccs1 818bb5a784d69e642678986799491313 [0,2,0,0,0,0|0,1,0]=3 3580 B13R1.48 CCCCCNC(=O)c1ccno1 ec82649d7f59645325697515ccc2a155 [0,2,0,0,0,0|1,0,0]=3 3581 B13R1.48 CCCCCNC(=O)c1ccns1 8b2c88d6f0240d862a0c75b909b9b07f [0,2,0,0,0,0|1,1,0]=4 3582 B13R1.48 CCCCCNC(=O)c1ccoc1 8d70c42b891070735242f0e05e59f0cc [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.48 CCCCCNC(=O)c1ccon1 d577b3213c1ebe90c2a9495f608de14a [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.48 CCCCCNC(=O)c1ccsc1 e418c0b47cb485ebab0a5bc9ca122eff [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.48 CCCCCNC(=O)c1ccsn1 7386a21b32dd5dd59be050ad28a82e1e [0,2,0,0,0,0|2,0,0]=4 3586 B13R1.48 CCCCCNC(=O)c1cnco1 45fb5f48ed74ae3ac53a6c19031623e2 [0,2,0,0,0,0|1,0,0]=3 3587 B13R1.48 CCCCCNC(=O)c1cncs1 6c1a8dd72585b80376499257458453ed [0,2,0,0,0,0|1,1,0]=4 3588 B13R1.48 CCCCCNC(=O)c1cocn1 7ba37767399a490564bb6bb4db7d03ed [0,2,0,0,0,0|2,0,0]=4 3589 B13R1.48 CCCCCNC(=O)c1cscn1 75bb210446281a841be741603359547c [0,2,0,0,0,0|2,0,0]=4 3590 B13R1.48 CCCCCNC(=O)c1ncco1 4e0330685713eb16ad3f14d476b0cb95 [0,2,0,0,0,0|1,0,0]=3 3591 B13R1.48 CCCCCNC(=O)c1nccs1 1886037bf76d9add32dbe8bfc8ccce4b [0,2,0,0,0,0|1,1,0]=4 3592 B13R1.48 CCCCCNC(=O)c1nnco1 2241f21886d02d7ef53d87133942c8a1 [0,2,0,0,0,0|2,0,0]=4 3593 B13R1.48 CCCCCNC(C)c1ccco1 cb400fcb20c2ec83270c6ee5abbbdbe1 [0,2,0,0,0,0|1,0,1]=4 3594 B13R1.48 CCCCCN[C@H](C)c1ccco1 16084afaf278556a0dd1af069ded4ba9 [0,2,0,0,0,0|1,0,1]=4 3595 B13R1.48 CCCCCOC(C)c1ccco1 7855eb3641d3b73da48c674b0f19416a [0,2,0,0,0,0|1,0,1]=4 3596 B13R1.48 CCCCCO[C@H](C)c1ccco1 a25e830d195214fe2c154a3680184896 [0,2,0,0,0,0|1,0,1]=4 3597 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 f4dce0db06529bc0573be8c3285b7212 [0,2,0,0,0,0|1,0,0]=3 3598 B13R1.48 CCCCNCC(=O)c1ccco1 f498e31f4a3ef1585ac107fb53e6f643 [0,2,0,0,0,0|0,0,0]=2 3599 B13R1.48 CCCCNCC(=O)c1cccs1 96ea0819c814cb640fabf9d8e18e74a3 [0,2,0,0,0,0|0,1,0]=3 3600 B13R1.48 CCCCNCC(=O)c1ccsc1 7efee4d3f3a69e8605d237b5a9814703 [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.48 CCCCNCC(=O)c1cocn1 0fb0ac824268385ce0b5671ca96038eb [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.48 CCCCNCC(=O)c1ncco1 1f88baef8560f543f9123fa10013403a [0,2,0,0,0,0|1,0,0]=3 3603 B13R1.48 CCCCNCC(=O)c1nccs1 46f0718852911518d37941e453476a3c [0,2,0,0,0,0|1,1,0]=4 3604 B13R1.48 CCCCNCC(=O)n1cccn1 6dcd8648ca6c92f7e82d7aac4f5f32b4 [0,2,0,0,0,0|2,0,0]=4 3605 B13R1.48 CCCCNCC(O)c1ccco1 2723a1aa82487a0ed18e344b620b33fc [0,2,0,0,0,0|0,0,2]=4 3606 B13R1.48 CCCCOCC(=O)c1ccco1 c937ec2ab7e7e1d7c0e9ac9f961dfd86 [0,2,0,0,0,0|0,0,0]=2 3607 B13R1.48 CCCCOCC(=O)c1cccs1 ffa086712c87a3f5d847a7ab769f94f1 [0,2,0,0,0,0|0,1,0]=3 3608 B13R1.48 CCCCOCC(=O)c1ccsc1 e606959b4313281c0d87577da5cb801c [0,2,0,0,0,0|2,0,0]=4 3609 B13R1.48 CCCCOCC(=O)c1cocn1 6f22a332868c7d76ef6b6484a63182ad [0,2,0,0,0,0|2,0,0]=4 3610 B13R1.48 CCCCOCC(=O)c1ncco1 6cfe31f2086ac388f94f0abddbb70ad9 [0,2,0,0,0,0|1,0,0]=3 3611 B13R1.48 CCCCOCC(=O)c1nccs1 f757921b536395f919dd62753ab80117 [0,2,0,0,0,0|1,1,0]=4 3612 B13R1.48 CCCCOCC(=O)n1cccn1 905b575aaf04dc8427e4e70387ef2cb6 [0,2,0,0,0,0|2,0,0]=4 3613 B13R1.48 CCCNCCC(=O)c1cccs1 b5bd84530ebdd1a74f68243805f64df7 [0,2,0,0,0,0|0,1,0]=3 3614 B13R1.48 CCOCCNC(=O)c1ccc[nH]1 e592588760defba4fe8d417f111afcee [0,2,0,0,0,0|1,0,0]=3 3615 B13R1.48 CCOCCNC(=O)c1ccco1 4a784e34eb5589645f54eb9834f97164 [0,2,0,0,0,0|0,0,0]=2 3616 B13R1.48 CCOCCNC(=O)c1cccs1 404c12532b445679616e844adb87ef8e [0,2,0,0,0,0|0,1,0]=3 3617 B13R1.48 CCOCCNC(=O)c1ccn[nH]1 679dc28766b7f20fb04d38ceaeda5dac [0,2,0,0,0,0|2,0,0]=4 3618 B13R1.48 CCOCCNC(=O)c1ccno1 3d939b02d069cf89ac8aaabdf666e623 [0,2,0,0,0,0|1,0,0]=3 3619 B13R1.48 CCOCCNC(=O)c1ccns1 6a864d675f31bd457758176a4dd1ec3c [0,2,0,0,0,0|1,1,0]=4 3620 B13R1.48 CCOCCNC(=O)c1ccoc1 ab2c4d1d8f5fe3ea34357eccb2a48d18 [0,2,0,0,0,0|2,0,0]=4 3621 B13R1.48 CCOCCNC(=O)c1ccon1 52d3244f959808e6a8f708beb2d3c2d9 [0,2,0,0,0,0|2,0,0]=4 3622 B13R1.48 CCOCCNC(=O)c1ccsc1 ba09509c15796f3d93ddde2067a42e60 [0,2,0,0,0,0|2,0,0]=4 3623 B13R1.48 CCOCCNC(=O)c1ccsn1 0025f815a1dac4d8369df0d5d6186e5a [0,2,0,0,0,0|2,0,0]=4 3624 B13R1.48 CCOCCNC(=O)c1cnco1 4f804063d506c6363cf6b03571908d3f [0,2,0,0,0,0|1,0,0]=3 3625 B13R1.48 CCOCCNC(=O)c1cncs1 5a627acaef0b3aa69d270a0d33678fdd [0,2,0,0,0,0|1,1,0]=4 3626 B13R1.48 CCOCCNC(=O)c1cocn1 c428a1303cdb9ecc876248336114873d [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.48 CCOCCNC(=O)c1cscn1 b526aaf4872023159a0832dcf342464e [0,2,0,0,0,0|2,0,0]=4 3628 B13R1.48 CCOCCNC(=O)c1ncco1 2f18e09896cad2703224860291e7352e [0,2,0,0,0,0|1,0,0]=3 3629 B13R1.48 CCOCCNC(=O)c1nccs1 a1dd10507933119c5277313e4a633f6f [0,2,0,0,0,0|1,1,0]=4 3630 B13R1.48 CCOCCNC(=O)c1nnco1 204b685659ee19f3d1ce089ab97e41af [0,2,0,0,0,0|2,0,0]=4 3631 B13R1.48 CCOCCNC(C)c1ccco1 f55d4c164c8fe54a1e29680d95dec78f [0,2,0,0,0,0|1,0,1]=4 3632 B13R1.48 CCOCCN[C@H](C)c1ccco1 15a9c6663c5520f1cfaac11ebd0a2025 [0,2,0,0,0,0|1,0,1]=4 3633 B13R1.48 CCOCCOC(C)c1ccco1 2934d02f6a30604b57027c84cd6350d4 [0,2,0,0,0,0|1,0,1]=4 3634 B13R1.48 CCOCCO[C@H](C)c1ccco1 743cdd0db4bf40b90333678df8895d64 [0,2,0,0,0,0|1,0,1]=4 3635 B13R1.48 CCOCNCC(O)c1ccco1 7fe6debc772ac002d1c000f4b6ca9bc6 [0,2,0,0,0,0|0,0,2]=4 3636 B13R1.48 CCSCCNC(=O)c1ccco1 8f5b64832a18590ec64716d79f537e01 [0,2,0,0,0,0|0,0,0]=2 3637 B13R1.48 CCSCCNC(=O)c1cccs1 72bbe02cf34eb595d6b8859adfc5b731 [0,2,0,0,0,0|0,1,0]=3 3638 B13R1.48 CCSCCNC(=O)c1ccno1 c1f567850b153f0cc93902945d9593ea [0,2,0,0,0,0|1,0,0]=3 3639 B13R1.48 CCSCCNC(=O)c1ccns1 4768c530bb895bfe4e2cea05aa32fc65 [0,2,0,0,0,0|1,1,0]=4 3640 B13R1.48 CCSCCNC(=O)c1ccoc1 321f2de70d25228d8b0b732529030501 [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.48 CCSCCNC(=O)c1ccon1 36d0e35ac8686b5ce02e888865ecf6d4 [0,2,0,0,0,0|2,0,0]=4 3642 B13R1.48 CCSCCNC(=O)c1ccsc1 16feb68ac33d8ff507c880c79099e8ec [0,2,0,0,0,0|2,0,0]=4 3643 B13R1.48 CCSCCNC(=O)c1ccsn1 b674f45fc8061357cd397f4c7fb45032 [0,2,0,0,0,0|2,0,0]=4 3644 B13R1.48 CCSCCNC(=O)c1cnco1 e21fe46123f2509b161451f6f786ebb7 [0,2,0,0,0,0|1,0,0]=3 3645 B13R1.48 CCSCCNC(=O)c1cncs1 5d488b0615bf577f25bbeaca9878fa40 [0,2,0,0,0,0|1,1,0]=4 3646 B13R1.48 CCSCCNC(=O)c1cocn1 5c22b25525365be064d7957320da7b9c [0,2,0,0,0,0|2,0,0]=4 3647 B13R1.48 CCSCCNC(=O)c1cscn1 097de08ded61b89afa4fe5ec9cbcf035 [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.48 CCSCCNC(=O)c1ncco1 66de3b89c8b0a3a29778cdd1ae28cf37 [0,2,0,0,0,0|1,0,0]=3 3649 B13R1.48 CCSCCNC(=O)c1nccs1 f23de9b6a0bf0f18b285f2713e31cc7c [0,2,0,0,0,0|1,1,0]=4 3650 B13R1.48 CCSCCNC(=O)c1nnco1 c190c7225be36b07e21852b23c6eb76d [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.48 CCSCCNC(C)c1ccco1 c2c1e335f02cddf408f700d1bec7628d [0,2,0,0,0,0|1,0,1]=4 3652 B13R1.48 CCSCCN[C@H](C)c1ccco1 3d5eb398160d2587a1462a00319c30f5 [0,2,0,0,0,0|1,0,1]=4 3653 B13R1.48 COCCCNC(=O)c1ccco1 6f71a60805b7a0c7fb47dd2d3781cbad [0,2,0,0,0,0|0,0,0]=2 3654 B13R1.48 COCCCNC(=O)c1cccs1 4faaa8ab8c1a8beabafe40da50d8394b [0,2,0,0,0,0|0,1,0]=3 3655 B13R1.48 COCCCNC(=O)c1ccno1 0a20fd4615e9d3c6611baadb28bad67c [0,2,0,0,0,0|1,0,0]=3 3656 B13R1.48 COCCCNC(=O)c1ccns1 ff7a392529fabf89c555de347e198687 [0,2,0,0,0,0|1,1,0]=4 3657 B13R1.48 COCCCNC(=O)c1ccoc1 23d35993845701e6e41bd16386c9ad00 [0,2,0,0,0,0|2,0,0]=4 3658 B13R1.48 COCCCNC(=O)c1ccon1 0c9801a63c9926ad1c3c476be5760cee [0,2,0,0,0,0|2,0,0]=4 3659 B13R1.48 COCCCNC(=O)c1ccsc1 6f5d316461113e03f2c46c871090dbca [0,2,0,0,0,0|2,0,0]=4 3660 B13R1.48 COCCCNC(=O)c1ccsn1 6d2c05a6de9304c64767648f25188cd7 [0,2,0,0,0,0|2,0,0]=4 3661 B13R1.48 COCCCNC(=O)c1cnco1 4f6ebca802c7f257aa44a153e8a06002 [0,2,0,0,0,0|1,0,0]=3 3662 B13R1.48 COCCCNC(=O)c1cncs1 70f8edf62e5e885470a1ea04f09266ec [0,2,0,0,0,0|1,1,0]=4 3663 B13R1.48 COCCCNC(=O)c1cocn1 090dfc60379dca27d515b38057dbe239 [0,2,0,0,0,0|2,0,0]=4 3664 B13R1.48 COCCCNC(=O)c1cscn1 aab018bc4d98854ce3157e6d59891b87 [0,2,0,0,0,0|2,0,0]=4 3665 B13R1.48 COCCCNC(=O)c1ncco1 a64cab53157a3e9538e3da7c2a773d17 [0,2,0,0,0,0|1,0,0]=3 3666 B13R1.48 COCCCNC(=O)c1nccs1 1673c9962373a60c48a95ea0109fe4e2 [0,2,0,0,0,0|1,1,0]=4 3667 B13R1.48 COCCCNC(=O)c1nnco1 a9449d28a943412169f2766511ccf834 [0,2,0,0,0,0|2,0,0]=4 3668 B13R1.48 COCCCNC(C)c1ccco1 aa0621505758130c325c8cd9a034de7a [0,2,0,0,0,0|1,0,1]=4 3669 B13R1.48 COCCCN[C@H](C)c1ccco1 febb0fb3661df40f57073556972bfa2a [0,2,0,0,0,0|1,0,1]=4 3670 B13R1.48 COCCCOC(C)c1ccco1 37f10a7233aa321c04463386e6e6c681 [0,2,0,0,0,0|1,0,1]=4 3671 B13R1.48 COCCCO[C@H](C)c1ccco1 3e15c16cba41e41dd7e78cf1b2d74eb6 [0,2,0,0,0,0|1,0,1]=4 3672 B13R1.48 COCCNCC(=O)c1ccc[nH]1 3651ef2efe4cb9f327a8c5f6ea45b3e1 [0,2,0,0,0,0|1,0,0]=3 3673 B13R1.48 COCCNCC(=O)c1ccco1 e8f5bb24444b59e7167147d7eabc3743 [0,2,0,0,0,0|0,0,0]=2 3674 B13R1.48 COCCNCC(=O)c1cccs1 5e338d6b54d27bcd1ff7d40be6c413c2 [0,2,0,0,0,0|0,1,0]=3 3675 B13R1.48 COCCNCC(=O)c1ccsc1 451fe01afb453fca4962a3a39d9db61b [0,2,0,0,0,0|2,0,0]=4 3676 B13R1.48 COCCNCC(=O)c1cocn1 a5199f5a7320ac354c0055c9796df1ab [0,2,0,0,0,0|2,0,0]=4 3677 B13R1.48 COCCNCC(=O)c1ncco1 186c12a7d752413aeaf217a7071884ed [0,2,0,0,0,0|1,0,0]=3 3678 B13R1.48 COCCNCC(=O)c1nccs1 6c4cd296b85b211148a8545d0f027912 [0,2,0,0,0,0|1,1,0]=4 3679 B13R1.48 COCCNCC(=O)n1cccn1 766fd17731af88a465cf0ae20583285f [0,2,0,0,0,0|2,0,0]=4 3680 B13R1.48 COCCNCC(O)c1ccco1 436f26c4942e7a725d35054d6c764497 [0,2,0,0,0,0|0,0,2]=4 3681 B13R1.48 COCCOCC(=O)c1ccc[nH]1 d072d23b26fd1950deb2b3f943d4dba2 [0,2,0,0,0,0|1,0,0]=3 3682 B13R1.48 COCCOCC(=O)c1ccco1 268c70d8110a6993a4f7d54d18008b6a [0,2,0,0,0,0|0,0,0]=2 3683 B13R1.48 COCCOCC(=O)c1cccs1 a9a9622f6f3c62550f4e28f5a5f5c344 [0,2,0,0,0,0|0,1,0]=3 3684 B13R1.48 COCCOCC(=O)c1ccsc1 7acfc42577a3da05eaac87072a38b78a [0,2,0,0,0,0|2,0,0]=4 3685 B13R1.48 COCCOCC(=O)c1cocn1 790d69d3e80abc325b677ee0dd327393 [0,2,0,0,0,0|2,0,0]=4 3686 B13R1.48 COCCOCC(=O)c1ncco1 f01069d2089c7ed551b4e163848cb6df [0,2,0,0,0,0|1,0,0]=3 3687 B13R1.48 COCCOCC(=O)c1nccs1 5215471495c19490b16904c806998158 [0,2,0,0,0,0|1,1,0]=4 3688 B13R1.48 COCCOCC(=O)n1cccn1 16c35c4817d71fa6e695e80e2bb6ec2c [0,2,0,0,0,0|2,0,0]=4 3689 B13R1.48 CSCCCNC(=O)c1ccco1 74161418614854110332d6e68e68602a [0,2,0,0,0,0|0,0,0]=2 3690 B13R1.48 CSCCCNC(=O)c1cccs1 af400c1d0c809c679554f039d3b106a9 [0,2,0,0,0,0|0,1,0]=3 3691 B13R1.48 CSCCCNC(=O)c1ccno1 765689bbe31dbf0c77f8fa458bc8c1f2 [0,2,0,0,0,0|1,0,0]=3 3692 B13R1.48 CSCCCNC(=O)c1ccns1 814c6b308ef5748a19ff9a951feac3f2 [0,2,0,0,0,0|1,1,0]=4 3693 B13R1.48 CSCCCNC(=O)c1ccoc1 8698f92ffe2d85aa118275a95e48bf2b [0,2,0,0,0,0|2,0,0]=4 3694 B13R1.48 CSCCCNC(=O)c1ccon1 333da7fb7f7e7ba3cd9c80fb84801e44 [0,2,0,0,0,0|2,0,0]=4 3695 B13R1.48 CSCCCNC(=O)c1ccsc1 1af96590b4f5c197d69e0ea0dcd29213 [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.48 CSCCCNC(=O)c1ccsn1 86959661f5b16ab33a160df059f59304 [0,2,0,0,0,0|2,0,0]=4 3697 B13R1.48 CSCCCNC(=O)c1cnco1 7f26cc6baa1c3c5644ec1b869353b4a3 [0,2,0,0,0,0|1,0,0]=3 3698 B13R1.48 CSCCCNC(=O)c1cncs1 e59ecae483126b2a188beab295ac86b4 [0,2,0,0,0,0|1,1,0]=4 3699 B13R1.48 CSCCCNC(=O)c1cocn1 fe09b59627b320d4f86f12f89f7a24cb [0,2,0,0,0,0|2,0,0]=4 3700 B13R1.48 CSCCCNC(=O)c1cscn1 fd2c2c8c10ba8831ab8fc8a05cc8f772 [0,2,0,0,0,0|2,0,0]=4 3701 B13R1.48 CSCCCNC(=O)c1ncco1 9f7e662dfe7b9be16cdfe3335cea4df8 [0,2,0,0,0,0|1,0,0]=3 3702 B13R1.48 CSCCCNC(=O)c1nccs1 80f7ec14362440058280dd1a3e14f7a5 [0,2,0,0,0,0|1,1,0]=4 3703 B13R1.48 CSCCCNC(=O)c1nnco1 ea97f212b2483b0bf914ab9934737a49 [0,2,0,0,0,0|2,0,0]=4 3704 B13R1.48 CSCCCNC(C)c1ccco1 a5cead7e9aaf34679ccbcc2433e45b34 [0,2,0,0,0,0|1,0,1]=4 3705 B13R1.48 CSCCCN[C@H](C)c1ccco1 0dd2f8748c67911c410e8c46bccb0e50 [0,2,0,0,0,0|1,0,1]=4 3706 B13R1.48 CSCCCOC(C)c1ccco1 d0e6f2919e0c9315135069d7fc6df430 [0,2,0,0,0,0|1,0,1]=4 3707 B13R1.48 CSCCCO[C@H](C)c1ccco1 210df1b71731d9d720a03d32c7dc9b56 [0,2,0,0,0,0|1,0,1]=4 3708 B13R1.48 CSCCNCC(=O)c1ccc[nH]1 9aba1a161a4a6bef81dee09692665052 [0,2,0,0,0,0|1,0,0]=3 3709 B13R1.48 CSCCNCC(=O)c1ccco1 86d6f1848c2108039861b70eb139f4ae [0,2,0,0,0,0|0,0,0]=2 3710 B13R1.48 CSCCNCC(=O)c1cccs1 4f254a7ef0ccbff1ceecfef774973032 [0,2,0,0,0,0|0,1,0]=3 3711 B13R1.48 CSCCNCC(=O)c1ccsc1 1343e35d4a6d9afe58c3bc88e0276471 [0,2,0,0,0,0|2,0,0]=4 3712 B13R1.48 CSCCNCC(=O)c1cocn1 4349f78d3dc0adcd62cefe322b29cb3e [0,2,0,0,0,0|2,0,0]=4 3713 B13R1.48 CSCCNCC(=O)c1ncco1 2ac76ad57195a377bcb265ccf2d50991 [0,2,0,0,0,0|1,0,0]=3 3714 B13R1.48 CSCCNCC(=O)c1nccs1 1dc73763c0207cf9c891bbe9a6ef2f56 [0,2,0,0,0,0|1,1,0]=4 3715 B13R1.48 CSCCNCC(=O)n1cccn1 beb9ae83c8a42a4d76e43882afc058ca [0,2,0,0,0,0|2,0,0]=4 3716 B13R1.48 CSCCNCC(O)c1ccco1 9f42b6205689633594c14fcbe4ef80b3 [0,2,0,0,0,0|0,0,2]=4 3717 B13R1.48 CSCCOCC(=O)c1ccco1 371315125844f38cd3a253d36816b598 [0,2,0,0,0,0|0,0,0]=2 3718 B13R1.48 CSCCOCC(=O)c1cccs1 5280bb1bf0d032fd2e8ff8210c96dc93 [0,2,0,0,0,0|0,1,0]=3 3719 B13R1.48 CSCCOCC(=O)c1ccsc1 9673942f734a16d103c7761d2e340047 [0,2,0,0,0,0|2,0,0]=4 3720 B13R1.48 CSCCOCC(=O)c1cocn1 b97036e82876ad3db371ac65ae9041ff [0,2,0,0,0,0|2,0,0]=4 3721 B13R1.48 CSCCOCC(=O)c1ncco1 920a5964ef5d2ef1af4014ddd81dcf39 [0,2,0,0,0,0|1,0,0]=3 3722 B13R1.48 CSCCOCC(=O)c1nccs1 f18f6c2ad6f608e574fcfea865c77a8b [0,2,0,0,0,0|1,1,0]=4 3723 B13R1.48 CSCCOCC(=O)n1cccn1 386fc162e77da9c314dde40fc3fc2467 [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.48 C[C@@H](NCCCCF)c1ccco1 1b69ef87ac46969f94a3e18aca4b8746 [0,2,0,0,0,0|1,0,1]=4 3725 B13R1.48 C[C@@H](NCCCCO)c1ccco1 9905ef3e512e88ce67d1fa7e69486d7c [0,2,0,0,0,0|1,0,1]=4 3726 B13R1.48 C[C@@H](OCCCCF)c1ccco1 e46a42fef257b8ae0a62472bc3292c39 [0,2,0,0,0,0|1,0,1]=4 3727 B13R1.48 N#CCCCNC(=O)c1ccco1 326a423cc9606eababcbea0c8f70a0d4 [0,2,0,0,0,0|0,0,1]=3 3728 B13R1.48 N#CCCCNC(=O)c1cccs1 ff74f6ab2cfd4f88ddb9337b448c6bb5 [0,2,0,0,0,0|0,1,1]=4 3729 B13R1.48 N#CCCCNC(=O)c1ccno1 e7f294f89e02fae246b0e01db49e70ff [0,2,0,0,0,0|1,0,1]=4 3730 B13R1.48 N#CCCCNC(=O)c1cnco1 c74cedd3b4999d8419415cd0de3677df [0,2,0,0,0,0|1,0,1]=4 3731 B13R1.48 N#CCCCNC(=O)c1ncco1 2f4faaec6482938baf58d4ec2a3c61b5 [0,2,0,0,0,0|1,0,1]=4 3732 B13R1.48 N#CCCNCC(=O)c1ccc[nH]1 b9fa8753c42c61c7923866cc408b1103 [0,2,0,0,0,0|1,0,1]=4 3733 B13R1.48 N#CCCNCC(=O)c1ccco1 8cf600c871dc3095fe1cb5a28ecd61e3 [0,2,0,0,0,0|0,0,1]=3 3734 B13R1.48 N#CCCNCC(=O)c1cccs1 fa2dd91d692ca85a29caff6da14dd2c9 [0,2,0,0,0,0|0,1,1]=4 3735 B13R1.48 N#CCCNCC(=O)c1ncco1 3955770499cb4d7fe1c09a69fff9af08 [0,2,0,0,0,0|1,0,1]=4 3736 B13R1.48 N#CCCOCC(=O)c1ccc[nH]1 868125a56efe87e2eb3e0dcc7f77d0ec [0,2,0,0,0,0|1,0,1]=4 3737 B13R1.48 N#CCCOCC(=O)c1ccco1 9fd3740017a381aa94995b239a98f7b0 [0,2,0,0,0,0|0,0,1]=3 3738 B13R1.48 N#CCCOCC(=O)c1cccs1 4755e45946fb9dff30153b52aaab8990 [0,2,0,0,0,0|0,1,1]=4 3739 B13R1.48 N#CCCOCC(=O)c1ncco1 5a96e46a6ac34cfd04bd4e6adc9d42b8 [0,2,0,0,0,0|1,0,1]=4 3740 B13R1.48 N#CCNCCC(=O)c1cccs1 f971baa80f4aef31f0016f151e778230 [0,2,0,0,0,0|0,1,1]=4 3741 B13R1.48 NOCCNCC(=O)c1ccco1 c0e270826a2ba5387437c5af55ff9d4d [0,2,0,0,0,0|1,0,0]=3 3742 B13R1.48 NOCCNCC(=O)c1cccs1 ccd1835a472c1c0fbebd847364cc0f67 [0,2,0,0,0,0|1,1,0]=4 3743 B13R1.48 NOCCNCC(=O)c1ncco1 fd26ab4dd1ced689a2c391f55ea4781f [0,2,0,0,0,0|2,0,0]=4 3744 B13R1.48 O=C(CCNCCI)c1cccs1 f4b0137035cd57ddb65d3991dbc2a616 [0,2,0,0,0,0|0,1,0]=3 3745 B13R1.48 O=C(CCNCCO)c1cccs1 5a7c70a96f0268d0b4119aac3a49d452 [0,2,0,0,0,0|0,1,0]=3 3746 B13R1.48 O=C(CCNCCS)c1cccs1 a301798f65f48b5c9f2a4d1cabda612b [0,2,0,0,0,0|0,1,0]=3 3747 B13R1.48 O=C(CCOCCS)c1cccs1 a1286eb8d06630f173f75ae3653625f1 [0,2,0,0,0,0|0,1,0]=3 3748 B13R1.48 O=C(CNCCCCl)c1ccc[nH]1 e1e756a56e05025bba62557103e92423 [0,2,0,0,0,0|1,0,0]=3 3749 B13R1.48 O=C(CNCCCCl)c1ccco1 ea4c90db1efdddb5d4c02bb7eaa2f97e [0,2,0,0,0,0|0,0,0]=2 3750 B13R1.48 O=C(CNCCCCl)c1cccs1 2042919cf69f6015e9fe14ea56732504 [0,2,0,0,0,0|0,1,0]=3 3751 B13R1.48 O=C(CNCCCCl)c1ccsc1 68c217745dcac381b82a25b11eb4f32e [0,2,0,0,0,0|2,0,0]=4 3752 B13R1.48 O=C(CNCCCCl)c1cocn1 a301e7882ff3b4f74239050e2cd5d8bf [0,2,0,0,0,0|2,0,0]=4 3753 B13R1.48 O=C(CNCCCCl)c1ncco1 88f18c9f405458590ef5e65f88fdb1fb [0,2,0,0,0,0|1,0,0]=3 3754 B13R1.48 O=C(CNCCCCl)c1nccs1 3443d53d913631c42a3aad1e89a31259 [0,2,0,0,0,0|1,1,0]=4 3755 B13R1.48 O=C(CNCCCCl)n1cccn1 c051cbbd82663ff3911b9221ca905aca [0,2,0,0,0,0|2,0,0]=4 3756 B13R1.48 O=C(CNCCCO)c1ccc[nH]1 19f183982b6fa4adcd94f39597bb00ed [0,2,0,0,0,0|1,0,0]=3 3757 B13R1.48 O=C(CNCCCO)c1ccco1 809ca9210cb597e19032fcb7c789ca18 [0,2,0,0,0,0|0,0,0]=2 3758 B13R1.48 O=C(CNCCCO)c1cccs1 138f93e5a2fd6289fade444460a370b5 [0,2,0,0,0,0|0,1,0]=3 3759 B13R1.48 O=C(CNCCCO)c1ccsc1 b7b20d7d12bee484f34948b3c6d9e175 [0,2,0,0,0,0|2,0,0]=4 3760 B13R1.48 O=C(CNCCCO)c1cocn1 fa9abfd662d337473f175bde163f7050 [0,2,0,0,0,0|2,0,0]=4 3761 B13R1.48 O=C(CNCCCO)c1ncco1 6f3f564a5b2b2fa904f4058068a05b1a [0,2,0,0,0,0|1,0,0]=3 3762 B13R1.48 O=C(CNCCCO)c1nccs1 e6d5eb5a6ca3070111cf0254890e558e [0,2,0,0,0,0|1,1,0]=4 3763 B13R1.48 O=C(CNCCCO)n1cccn1 c2da2ad85036f124c74d3113756f9a2a [0,2,0,0,0,0|2,0,0]=4 3764 B13R1.48 O=C(COC/C=C/Cl)c1ccco1 529bdee1d87b869102ce9d4833b053f0 [0,2,0,0,0,0|0,0,2]=4 3765 B13R1.48 O=C(COC/C=C\Cl)c1ccco1 d7a0da320419f6922bc9ca6e1c938b78 [0,2,0,0,0,0|0,0,2]=4 3766 B13R1.48 O=C(COCC#CI)c1ccco1 2193778796fb22cf1eec0fbc50877631 [0,2,0,0,0,0|0,0,2]=4 3767 B13R1.48 O=C(COCC=CCl)c1ccco1 5859cdb85cadb2965a583ffc3ff67d9d [0,2,0,0,0,0|0,0,2]=4 3768 B13R1.48 O=C(COCCCF)c1ccc[nH]1 a6f955995bda23eaffcd29b163ad353b [0,2,0,0,0,0|1,0,0]=3 3769 B13R1.48 O=C(COCCCF)c1ccco1 b3a8e40a3cc508c9b78ba305fa526ec4 [0,2,0,0,0,0|0,0,0]=2 3770 B13R1.48 O=C(COCCCF)c1cccs1 0342fe3bb2a76176bb321e498e698e73 [0,2,0,0,0,0|0,1,0]=3 3771 B13R1.48 O=C(COCCCF)c1ccsc1 c2d63df10f008cdfbabe861596ce34f1 [0,2,0,0,0,0|2,0,0]=4 3772 B13R1.48 O=C(COCCCF)c1cocn1 21970d88cfdd1c495ac1864ecdca6015 [0,2,0,0,0,0|2,0,0]=4 3773 B13R1.48 O=C(COCCCF)c1ncco1 860d328e7ea0e0b45b48030c9b5c211d [0,2,0,0,0,0|1,0,0]=3 3774 B13R1.48 O=C(COCCCF)c1nccs1 e16eab21770706f2a448731c51c33b3c [0,2,0,0,0,0|1,1,0]=4 3775 B13R1.48 O=C(COCCCF)n1cccn1 6a8aab3f9e77e96b917132c12328bf14 [0,2,0,0,0,0|2,0,0]=4 3776 B13R1.48 O=C(COCCCS)c1ccco1 b2d265480a9cc022e2e90bab7fdfd4f0 [0,2,0,0,0,0|0,0,0]=2 3777 B13R1.48 O=C(COCCCS)c1cccs1 da98efe248246c5c114a0f2909936dec [0,2,0,0,0,0|0,1,0]=3 3778 B13R1.48 O=C(COCCCS)c1ccsc1 8844c914754cf8b2847d43075886f307 [0,2,0,0,0,0|2,0,0]=4 3779 B13R1.48 O=C(COCCCS)c1cocn1 b37490a5c18735b533c459bbb5cfdd8d [0,2,0,0,0,0|2,0,0]=4 3780 B13R1.48 O=C(COCCCS)c1ncco1 08b8e626ce8b28e87dc07b37b2073e02 [0,2,0,0,0,0|1,0,0]=3 3781 B13R1.48 O=C(COCCCS)c1nccs1 52b7fbad557aeb2c8bbc96ad76c8002d [0,2,0,0,0,0|1,1,0]=4 3782 B13R1.48 O=C(COCCCS)n1cccn1 661e67d75dd5dd3be491924048bb7526 [0,2,0,0,0,0|2,0,0]=4 3783 B13R1.48 O=C(NCC#CCO)c1ccco1 93982bfb3b1cbb7b0c47041f364b8ad3 [0,2,0,0,0,0|0,0,2]=4 3784 B13R1.48 O=C(NCCCCCl)c1ccco1 7579b564f34156630fa4974308cec2a9 [0,2,0,0,0,0|0,0,0]=2 3785 B13R1.48 O=C(NCCCCCl)c1cccs1 fb73fc5ec5e93201bd8c1ba149af6f87 [0,2,0,0,0,0|0,1,0]=3 3786 B13R1.48 O=C(NCCCCCl)c1ccno1 05427ab003f56309ba8d46d46a947c2d [0,2,0,0,0,0|1,0,0]=3 3787 B13R1.48 O=C(NCCCCCl)c1ccns1 2ba3785721297d6e2dcce70641be051c [0,2,0,0,0,0|1,1,0]=4 3788 B13R1.48 O=C(NCCCCCl)c1ccoc1 127370d2f2de003d3811e376d9be2892 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.48 O=C(NCCCCCl)c1ccon1 85fc964d8a19605eb1f76cf1dabc60c7 [0,2,0,0,0,0|2,0,0]=4 3790 B13R1.48 O=C(NCCCCCl)c1ccsc1 cbc2989cc3cf0505d2dfaf921bb345d4 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.48 O=C(NCCCCCl)c1ccsn1 b5ccd26e6bc5e5c6bb4b7d93481db030 [0,2,0,0,0,0|2,0,0]=4 3792 B13R1.48 O=C(NCCCCCl)c1cnco1 2be51c0fd54b1eb351af4ee822207a21 [0,2,0,0,0,0|1,0,0]=3 3793 B13R1.48 O=C(NCCCCCl)c1cncs1 4bd0e6fee0fc584e1cead2c6061e5287 [0,2,0,0,0,0|1,1,0]=4 3794 B13R1.48 O=C(NCCCCCl)c1cocn1 bd57c9b9dd5323ce5fe40165a9a31a24 [0,2,0,0,0,0|2,0,0]=4 3795 B13R1.48 O=C(NCCCCCl)c1cscn1 052345c4db95b66683c8d2d159a871f1 [0,2,0,0,0,0|2,0,0]=4 3796 B13R1.48 O=C(NCCCCCl)c1ncco1 707bc288a39f6998be8549039a76bbb4 [0,2,0,0,0,0|1,0,0]=3 3797 B13R1.48 O=C(NCCCCCl)c1nccs1 11493f9b2f52d5f5a496cd48711e759e [0,2,0,0,0,0|1,1,0]=4 3798 B13R1.48 O=C(NCCCCCl)c1nnco1 60379892e75d25ac8709241dc532eb0d [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.48 O=C(NCCCCO)c1ccco1 e28e473274e4bb553727c42ccd30136a [0,2,0,0,0,0|0,0,0]=2 3800 B13R1.48 O=C(NCCCCO)c1cccs1 e19282790820e7d9ccb3a9412ab7c236 [0,2,0,0,0,0|0,1,0]=3 3801 B13R1.48 O=C(NCCCCO)c1ccno1 b7d164f1297da9a61d72fc57ba8e639a [0,2,0,0,0,0|1,0,0]=3 3802 B13R1.48 O=C(NCCCCO)c1ccns1 797840635b11058762285b2c35411997 [0,2,0,0,0,0|1,1,0]=4 3803 B13R1.48 O=C(NCCCCO)c1ccoc1 c3edecb328a5a048e680a9d2e1c5c65f [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.48 O=C(NCCCCO)c1ccon1 4c575748d7c70dc906caf254dd2f7fda [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.48 O=C(NCCCCO)c1ccsc1 e8c840ce6601c6db7e151a368e2f1ac4 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.48 O=C(NCCCCO)c1ccsn1 00c83eff74a2f0033ed9ba6079050cb2 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.48 O=C(NCCCCO)c1cnco1 64781432dc58a665dcf3d3511a5f9ca1 [0,2,0,0,0,0|1,0,0]=3 3808 B13R1.48 O=C(NCCCCO)c1cncs1 2e8a05e2c9ffb59574308154725e32c5 [0,2,0,0,0,0|1,1,0]=4 3809 B13R1.48 O=C(NCCCCO)c1cocn1 396329060660133274a0fc9db1cf457e [0,2,0,0,0,0|2,0,0]=4 3810 B13R1.48 O=C(NCCCCO)c1cscn1 8ecfcc596c7ec1d9337ae3a45b195f38 [0,2,0,0,0,0|2,0,0]=4 3811 B13R1.48 O=C(NCCCCO)c1ncco1 3938b50c446f19bdeeabc15d2c4340a2 [0,2,0,0,0,0|1,0,0]=3 3812 B13R1.48 O=C(NCCCCO)c1nccs1 453cf763bc20470e9f69830fe172ea5e [0,2,0,0,0,0|1,1,0]=4 3813 B13R1.48 O=C(NCCCCO)c1nnco1 169a6eeb24dc314bfc752aed7555ca84 [0,2,0,0,0,0|2,0,0]=4 3814 B13R1.48 O=C(NCCCCS)c1ccco1 9e742ce331d898257174e2fed03073a8 [0,2,0,0,0,0|0,0,0]=2 3815 B13R1.48 O=C(NCCCCS)c1cccs1 24d21f09d7a0f169bef671ee48ee6459 [0,2,0,0,0,0|0,1,0]=3 3816 B13R1.48 O=C(NCCCCS)c1ccno1 76581001b6d5773d3b7964635e22869c [0,2,0,0,0,0|1,0,0]=3 3817 B13R1.48 O=C(NCCCCS)c1ccns1 2d5d8888ee9054793de82f12911e8bc2 [0,2,0,0,0,0|1,1,0]=4 3818 B13R1.48 O=C(NCCCCS)c1ccoc1 02fd109a52dc84fb9a5adb4c81d95628 [0,2,0,0,0,0|2,0,0]=4 3819 B13R1.48 O=C(NCCCCS)c1ccon1 f3c091fb639e4ed853776867129c1f6b [0,2,0,0,0,0|2,0,0]=4 3820 B13R1.48 O=C(NCCCCS)c1ccsc1 d811ebbcfdd418cccff39912d3308ede [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.48 O=C(NCCCCS)c1ccsn1 ba94e4488fa89cd4d024f8f560b31342 [0,2,0,0,0,0|2,0,0]=4 3822 B13R1.48 O=C(NCCCCS)c1cnco1 71c91fc8dc099262120c11d70a62e71d [0,2,0,0,0,0|1,0,0]=3 3823 B13R1.48 O=C(NCCCCS)c1cncs1 4ed3cf0d16a1c16d02b49c903f9b00a6 [0,2,0,0,0,0|1,1,0]=4 3824 B13R1.48 O=C(NCCCCS)c1cocn1 644969f3570515ccbc9842fc1e8d567b [0,2,0,0,0,0|2,0,0]=4 3825 B13R1.48 O=C(NCCCCS)c1cscn1 10dfcb2c5f4f61f0ecbadbd6cbcb05cf [0,2,0,0,0,0|2,0,0]=4 3826 B13R1.48 O=C(NCCCCS)c1ncco1 1991750ecd7dbdcb2dd2f1cae45c72eb [0,2,0,0,0,0|1,0,0]=3 3827 B13R1.48 O=C(NCCCCS)c1nccs1 2af3c03910df713c60bc538b9163b13f [0,2,0,0,0,0|1,1,0]=4 3828 B13R1.48 O=C(NCCCCS)c1nnco1 c85e29171ca8bbc2e27516d5d4617841 [0,2,0,0,0,0|2,0,0]=4 3829 B13R1.48 O=C(NCCOCF)c1ccc[nH]1 f9549be29357afcc80716983c2248ed8 [0,2,0,0,0,0|2,0,0]=4 3830 B13R1.48 O=CCCOCC(=O)c1ccc[nH]1 5e82fcb1c105bd605400878048ac07b5 [0,2,0,0,0,0|1,0,1]=4 3831 B13R1.48 O=CCCOCC(=O)c1ccco1 e0affc9e92029bbffca445f489216aea [0,2,0,0,0,0|0,0,1]=3 3832 B13R1.48 O=CCCOCC(=O)c1cccs1 fc0c764796396c96fbf4051449bb6e35 [0,2,0,0,0,0|0,1,1]=4 3833 B13R1.48 O=CCCOCC(=O)c1ncco1 84cddeb048ecce1bbf1e07286e224bf3 [0,2,0,0,0,0|1,0,1]=4 3834 B13R1.48 OC(CNCCCF)c1ccco1 f6a773ffc72355f546e78c0779d82ce3 [0,2,0,0,0,0|0,0,2]=4 3835 B13R1.48 OC(CNCCCS)c1ccco1 58e90755a28bdf4faee44b54e7ffd91a [0,2,0,0,0,0|0,0,2]=4 3836 B13R1.48 OCCCNCC(O)c1ccco1 95a81691bbe6c9bb02b4b5998efc0a82 [0,2,0,0,0,0|0,0,2]=4 3837 B13R1.118 CCCCNC(CC)c1ccco1 eca50cd19c7e938537a55f36ee040bfc [0,2,0,0,0,0|1,0,1]=4 3838 B13R1.118 CCCCOC(CC)c1ccco1 1450a8c364aecfb4c55e1f97b0b841f1 [0,2,0,0,0,0|1,0,1]=4 3839 B13R1.162 C#CC(C)NCC(=O)c1ccc[nH]1 44d9407492aa0d87d71671ebe47247fc [0,2,0,0,0,0|2,0,0]=4 3840 B13R1.162 C#CC(C)NCC(=O)c1ccco1 663f38425404e9d2420276d0b7a8c1da [0,2,0,0,0,0|1,0,0]=3 3841 B13R1.162 C#CC(C)NCC(=O)c1cccs1 27620d69d0d95336b59f1c25242d714a [0,2,0,0,0,0|1,1,0]=4 3842 B13R1.162 C#CC(C)NCC(=O)c1ncco1 d787814da4e028ca044fb9a8826c0c3f [0,2,0,0,0,0|2,0,0]=4 3843 B13R1.162 C#CC(C)OCC(=O)c1ccco1 ba9dd2bc986f14007a6f496184b6f6bf [0,2,0,0,0,0|1,0,0]=3 3844 B13R1.162 C#CC(C)OCC(=O)c1cccs1 2b4240a1b99f4df80b412d31b8e784db [0,2,0,0,0,0|1,1,0]=4 3845 B13R1.162 C#CC(C)OCC(=O)c1ncco1 c401acc6249408236c31ceae7c6dd6b1 [0,2,0,0,0,0|2,0,0]=4 3846 B13R1.162 C#C[C@@H](C)NCC(=O)c1ccc[nH]1 756a5afabc401ee4e771dae3e21539ce [0,2,0,0,0,0|2,0,0]=4 3847 B13R1.162 C#C[C@@H](C)NCC(=O)c1ccco1 be7f8214f73610780269894d6b7f74b3 [0,2,0,0,0,0|1,0,0]=3 3848 B13R1.162 C#C[C@@H](C)NCC(=O)c1cccs1 53b90cda639ee3d0b0c5def7ece89d69 [0,2,0,0,0,0|1,1,0]=4 3849 B13R1.162 C#C[C@@H](C)NCC(=O)c1ncco1 4f97683d02a2c5d66586e26a90d80caf [0,2,0,0,0,0|2,0,0]=4 3850 B13R1.162 C#C[C@@H](C)OCC(=O)c1ccco1 75c1356e087bdf71674540e085251191 [0,2,0,0,0,0|1,0,0]=3 3851 B13R1.162 C#C[C@@H](C)OCC(=O)c1cccs1 ea81acc77b52fdc461c8653cc1f7eea2 [0,2,0,0,0,0|1,1,0]=4 3852 B13R1.162 C#C[C@@H](C)OCC(=O)c1ncco1 ca6009ac365726ac419bd746515ac83b [0,2,0,0,0,0|2,0,0]=4 3853 B13R1.162 C#C[C@H](C)NCC(=O)c1ccc[nH]1 59d2ba257e1ff36b39c50516e4856954 [0,2,0,0,0,0|2,0,0]=4 3854 B13R1.162 C#C[C@H](C)NCC(=O)c1ccco1 6b000790f4288ab4dcc691af6be32e68 [0,2,0,0,0,0|1,0,0]=3 3855 B13R1.162 C#C[C@H](C)NCC(=O)c1cccs1 0d657c33134cc4648127909671e6a5f4 [0,2,0,0,0,0|1,1,0]=4 3856 B13R1.162 C#C[C@H](C)NCC(=O)c1ncco1 d59d755897ad52c13a3d0255e120bd1f [0,2,0,0,0,0|2,0,0]=4 3857 B13R1.162 C#C[C@H](C)OCC(=O)c1ccco1 16b67e4677d827df40b8be784ba83205 [0,2,0,0,0,0|1,0,0]=3 3858 B13R1.162 C#C[C@H](C)OCC(=O)c1cccs1 d1bdae3e6c1aabd7a17e5fcf63662ca9 [0,2,0,0,0,0|1,1,0]=4 3859 B13R1.162 C#C[C@H](C)OCC(=O)c1ncco1 6c62b7ba9bbf00f25708779fa4e2fb36 [0,2,0,0,0,0|2,0,0]=4 3860 B13R1.162 C=CC(C)NCC(=O)c1ccc[nH]1 72d5bbed6c7dd8fd4acb86f5789a1b32 [0,2,0,0,0,0|2,0,0]=4 3861 B13R1.162 C=CC(C)NCC(=O)c1ccco1 b046226293a21572e40c72c031d33d7b [0,2,0,0,0,0|1,0,0]=3 3862 B13R1.162 C=CC(C)NCC(=O)c1cccs1 255ded098d47338454807e51217fad86 [0,2,0,0,0,0|1,1,0]=4 3863 B13R1.162 C=CC(C)NCC(=O)c1ncco1 5dd06f8585e12b38211854bcd31cb40b [0,2,0,0,0,0|2,0,0]=4 3864 B13R1.162 C=CC(C)OCC(=O)c1ccc[nH]1 82a4cc306cdea3035a9b747d4f8b96cf [0,2,0,0,0,0|2,0,0]=4 3865 B13R1.162 C=CC(C)OCC(=O)c1ccco1 50b88e875209b56a48a62657e9e53446 [0,2,0,0,0,0|1,0,0]=3 3866 B13R1.162 C=CC(C)OCC(=O)c1cccs1 74a141c463eaa60fa067c0b6ee80145f [0,2,0,0,0,0|1,1,0]=4 3867 B13R1.162 C=CC(C)OCC(=O)c1ncco1 fc12e8fe50c0518f7eccbbfc03ff9689 [0,2,0,0,0,0|2,0,0]=4 3868 B13R1.162 C=CC(O)CNC(=O)c1ccco1 ee309b0b4ff7424b17eaeb3015f5b93a [0,2,0,0,0,0|0,0,2]=4 3869 B13R1.162 C=C[C@H](C)OCC(=O)c1ccc[nH]1 e426c1093581a196acc1a22e995c7f10 [0,2,0,0,0,0|2,0,0]=4 3870 B13R1.162 C=C[C@H](C)OCC(=O)c1ccco1 7d3a93a00e0f0bc50782eb372771b487 [0,2,0,0,0,0|1,0,0]=3 3871 B13R1.162 C=C[C@H](C)OCC(=O)c1cccs1 d41b878f3a276a413bc355025183b907 [0,2,0,0,0,0|1,1,0]=4 3872 B13R1.162 C=C[C@H](C)OCC(=O)c1ncco1 a748dc111fa6d6c8edc2f9fb5465fb00 [0,2,0,0,0,0|2,0,0]=4 3873 B13R1.162 CC(C#N)CNC(=O)c1ccco1 dc8d9c1ed015dcee0aa606b2da68b473 [0,2,0,0,0,0|1,0,0]=3 3874 B13R1.162 CC(C#N)CNC(=O)c1cccs1 e016f787507cd86572f42660fb85973a [0,2,0,0,0,0|1,1,0]=4 3875 B13R1.162 CC(C#N)CNC(=O)c1ccno1 c0bd7db0f64a04cd0ead766c97c86e06 [0,2,0,0,0,0|2,0,0]=4 3876 B13R1.162 CC(C#N)CNC(=O)c1cnco1 c504fba8ba2124cc50b000cfb4f22647 [0,2,0,0,0,0|2,0,0]=4 3877 B13R1.162 CC(C#N)CNC(=O)c1ncco1 ef026112cc8a219f25fc48f098556898 [0,2,0,0,0,0|2,0,0]=4 3878 B13R1.162 CC(C#N)NCC(=O)c1ccco1 710ac795cc296f3165b7493910e550fd [0,2,0,0,0,0|1,0,0]=3 3879 B13R1.162 CC(C#N)NCC(=O)c1cccs1 4053d782ddf5e79388774fbe24f24c27 [0,2,0,0,0,0|1,1,0]=4 3880 B13R1.162 CC(C#N)NCC(=O)c1ncco1 2110df39985a7bf2371c3907dd84495b [0,2,0,0,0,0|2,0,0]=4 3881 B13R1.162 CC(C=O)OCC(=O)c1ccco1 22786e28a403f3c56f309dac7bb8f9a3 [0,2,0,0,0,0|1,0,0]=3 3882 B13R1.162 CC(C=O)OCC(=O)c1cccs1 3263fb7e3d1d1a55b288c04692378af4 [0,2,0,0,0,0|1,1,0]=4 3883 B13R1.162 CC(C=O)OCC(=O)c1ncco1 ca8afff16b4ec6bb0066cabd294430a3 [0,2,0,0,0,0|2,0,0]=4 3884 B13R1.162 CC(CF)OCC(=O)c1ccco1 5c749b19b48b57257ada8d1d198739ed [0,2,0,0,0,0|1,0,0]=3 3885 B13R1.162 CC(CF)OCC(=O)c1cccs1 892e37c5d3635645d3c9e6be5a83ba70 [0,2,0,0,0,0|1,1,0]=4 3886 B13R1.162 CC(CF)OCC(=O)c1ncco1 d030daeb52d01313f0c816edcf70f960 [0,2,0,0,0,0|2,0,0]=4 3887 B13R1.162 CC(CO)CNC(=O)c1ccco1 ef589f6f8f49d505a3197753ba2678db [0,2,0,0,0,0|1,0,0]=3 3888 B13R1.162 CC(CO)CNC(=O)c1cccs1 fe4ec0c123100c8d7428c878c232eecf [0,2,0,0,0,0|1,1,0]=4 3889 B13R1.162 CC(CO)CNC(=O)c1ccno1 ce2420c7456242fda920a85cb7b3ea72 [0,2,0,0,0,0|2,0,0]=4 3890 B13R1.162 CC(CO)CNC(=O)c1cnco1 87ce452bccf645cab45389b0f533ddad [0,2,0,0,0,0|2,0,0]=4 3891 B13R1.162 CC(CO)CNC(=O)c1ncco1 36cf9907847e288b6f13f0cfcb6e14cc [0,2,0,0,0,0|2,0,0]=4 3892 B13R1.162 CC(CO)NCC(=O)c1ccco1 8a36631488c0ada44407e41d09db84ed [0,2,0,0,0,0|1,0,0]=3 3893 B13R1.162 CC(CO)NCC(=O)c1cccs1 5ee3a15655edf5d74051ac20a32be533 [0,2,0,0,0,0|1,1,0]=4 3894 B13R1.162 CC(CO)NCC(=O)c1ncco1 f0e572e74e1e7609000866096645c33b [0,2,0,0,0,0|2,0,0]=4 3895 B13R1.162 CC(CS)OCC(=O)c1ccco1 b07fc92194ef24242a7b601de9078d9f [0,2,0,0,0,0|1,0,0]=3 3896 B13R1.162 CC(CS)OCC(=O)c1cccs1 e42ccdfab05a00fbd3926f374808309d [0,2,0,0,0,0|1,1,0]=4 3897 B13R1.162 CCC(C)CNC(=O)c1ccco1 bb99c0b101b514bd961dd2677a5574c8 [0,2,0,0,0,0|0,0,0]=2 3898 B13R1.162 CCC(C)CNC(=O)c1cccs1 1baaeea8b899cef8db6a82aa69b37b04 [0,2,0,0,0,0|0,1,0]=3 3899 B13R1.162 CCC(C)CNC(=O)c1ccno1 a3974d52a17233f4b41b9f09e4fa1c8b [0,2,0,0,0,0|1,0,0]=3 3900 B13R1.162 CCC(C)CNC(=O)c1ccns1 afb0f0862361e33b61ef383d79dab62b [0,2,0,0,0,0|1,1,0]=4 3901 B13R1.162 CCC(C)CNC(=O)c1ccoc1 cb8fa167288cca7aadcd2fd4f7208677 [0,2,0,0,0,0|2,0,0]=4 3902 B13R1.162 CCC(C)CNC(=O)c1ccon1 af8445fc657c759976a7a60dd8305342 [0,2,0,0,0,0|2,0,0]=4 3903 B13R1.162 CCC(C)CNC(=O)c1ccsc1 26c96c9f4fbd32688fffe49ac9bbde62 [0,2,0,0,0,0|2,0,0]=4 3904 B13R1.162 CCC(C)CNC(=O)c1ccsn1 a5ebb3831295db83c8ac20afd8b27ced [0,2,0,0,0,0|2,0,0]=4 3905 B13R1.162 CCC(C)CNC(=O)c1cnco1 2c550297f7c60eeb75ebcd70008ea965 [0,2,0,0,0,0|1,0,0]=3 3906 B13R1.162 CCC(C)CNC(=O)c1cncs1 3441b82c5a3dc205ac3ec01cf7a71a37 [0,2,0,0,0,0|1,1,0]=4 3907 B13R1.162 CCC(C)CNC(=O)c1cocn1 01c483e0eacd21672c4bda044ad7bf0c [0,2,0,0,0,0|2,0,0]=4 3908 B13R1.162 CCC(C)CNC(=O)c1cscn1 fdc8499ec3f86ccb89815f137e1a952a [0,2,0,0,0,0|2,0,0]=4 3909 B13R1.162 CCC(C)CNC(=O)c1ncco1 bc2f7762696ed0747ec1a30bd98feb72 [0,2,0,0,0,0|1,0,0]=3 3910 B13R1.162 CCC(C)CNC(=O)c1nccs1 bfa61a7242b59e32f0ab2f73694a717e [0,2,0,0,0,0|1,1,0]=4 3911 B13R1.162 CCC(C)CNC(=O)c1nnco1 e8253ed794ddd32f519ec5d7f726a507 [0,2,0,0,0,0|2,0,0]=4 3912 B13R1.162 CCC(C)CNC(C)c1ccco1 b467c340d87b954e34db3f131c5e11b2 [0,2,0,0,0,0|1,0,1]=4 3913 B13R1.162 CCC(C)CN[C@H](C)c1ccco1 b89d7a51c629a758031056a3ec1e03e8 [0,2,0,0,0,0|1,0,1]=4 3914 B13R1.162 CCC(C)COC(C)c1ccco1 e7124e90b56143479b25a389509b9082 [0,2,0,0,0,0|1,0,1]=4 3915 B13R1.162 CCC(C)CO[C@H](C)c1ccco1 0839943a2abd9937c92fb0487ed915f1 [0,2,0,0,0,0|1,0,1]=4 3916 B13R1.162 CCC(C)NCC(=O)c1ccco1 695e7931f0e9bca0474543953cc3ca1e [0,2,0,0,0,0|0,0,0]=2 3917 B13R1.162 CCC(C)NCC(=O)c1cccs1 47b5d7def93cafab664bb1f680849b8d [0,2,0,0,0,0|0,1,0]=3 3918 B13R1.162 CCC(C)NCC(=O)c1ccsc1 32ed06f6008ba7b756aca9bd06daef6b [0,2,0,0,0,0|2,0,0]=4 3919 B13R1.162 CCC(C)NCC(=O)c1cocn1 36cfdac72177415d955bc3251e874a0c [0,2,0,0,0,0|2,0,0]=4 3920 B13R1.162 CCC(C)NCC(=O)c1nccs1 80e36a63fe9a7d381d5a0fde479c0242 [0,2,0,0,0,0|1,1,0]=4 3921 B13R1.162 CCC(C)NCC(=O)n1cccn1 92a701e74daacf51272a4d528b54e7d7 [0,2,0,0,0,0|2,0,0]=4 3922 B13R1.162 CCC(C)NCC(O)c1ccco1 fa22cf8e6a4817146379fd8e020a02ad [0,2,0,0,0,0|0,0,2]=4 3923 B13R1.162 CCC(C)OCC(=O)c1ccco1 cf01533b90a6aa97b270f883c2c10d8b [0,2,0,0,0,0|0,0,0]=2 3924 B13R1.162 CCC(C)OCC(=O)c1cccs1 85eee5cf33bb073f7febafd37fc54700 [0,2,0,0,0,0|0,1,0]=3 3925 B13R1.162 CCC(C)OCC(=O)c1ccsc1 84ab5da69bc758cdafee1c2838387448 [0,2,0,0,0,0|2,0,0]=4 3926 B13R1.162 CCC(C)OCC(=O)c1cocn1 a684140b329241330c3b46a089360dcb [0,2,0,0,0,0|2,0,0]=4 3927 B13R1.162 CCC(C)OCC(=O)c1ncco1 b234ff5e0c6540e74532a1210e5e3cd8 [0,2,0,0,0,0|1,0,0]=3 3928 B13R1.162 CCC(C)OCC(=O)c1nccs1 a7f089c9d57980354d357b8fb5268561 [0,2,0,0,0,0|1,1,0]=4 3929 B13R1.162 CCC(C)OCC(=O)n1cccn1 0abc9326d8468a52bfc0a4f3c0bf2c2c [0,2,0,0,0,0|2,0,0]=4 3930 B13R1.162 CCC(O)CNC(=O)c1ccco1 aedef666ed8e613b2ee1dd22417b9029 [0,2,0,0,0,0|0,0,0]=2 3931 B13R1.162 CCC(O)CNC(=O)c1cccs1 6faf1f9d3788d091eb6efb6a30668ca8 [0,2,0,0,0,0|0,1,0]=3 3932 B13R1.162 CCC(O)CNC(=O)c1ccno1 fc4580bf7d46a5dd1806ef0ab523faac [0,2,0,0,0,0|1,0,0]=3 3933 B13R1.162 CCC(O)CNC(=O)c1ccns1 ddcd8a75c9971692a57a7db44ec91b42 [0,2,0,0,0,0|1,1,0]=4 3934 B13R1.162 CCC(O)CNC(=O)c1ccoc1 8852209cb093caeda481923d3f45d74c [0,2,0,0,0,0|2,0,0]=4 3935 B13R1.162 CCC(O)CNC(=O)c1ccon1 f4e8803909febf3b3bcccb8c64fa6f5e [0,2,0,0,0,0|2,0,0]=4 3936 B13R1.162 CCC(O)CNC(=O)c1ccsc1 bf1458c7f73eb18a1c27dd24f850fdee [0,2,0,0,0,0|2,0,0]=4 3937 B13R1.162 CCC(O)CNC(=O)c1ccsn1 9ec500340ee5699e518865fb3170be47 [0,2,0,0,0,0|2,0,0]=4 3938 B13R1.162 CCC(O)CNC(=O)c1cnco1 abecfaf50272c767a6c406a925a30450 [0,2,0,0,0,0|1,0,0]=3 3939 B13R1.162 CCC(O)CNC(=O)c1cncs1 777b10ffc993c8b4c6c4ffa6d54c7755 [0,2,0,0,0,0|1,1,0]=4 3940 B13R1.162 CCC(O)CNC(=O)c1cocn1 e5c54cfd16ad50fd6f185fe6c0fc469d [0,2,0,0,0,0|2,0,0]=4 3941 B13R1.162 CCC(O)CNC(=O)c1cscn1 89f6746120b4382c52d9a0d34c777a00 [0,2,0,0,0,0|2,0,0]=4 3942 B13R1.162 CCC(O)CNC(=O)c1ncco1 b320c88873e0af82458840f19e18a775 [0,2,0,0,0,0|1,0,0]=3 3943 B13R1.162 CCC(O)CNC(=O)c1nccs1 7b0d6014d970ac5717f961fb10caf1be [0,2,0,0,0,0|1,1,0]=4 3944 B13R1.162 CCC(O)CNC(=O)c1nnco1 24b1a2d2d05793b034cf5a1b1e11ec8d [0,2,0,0,0,0|2,0,0]=4 3945 B13R1.162 CC[C@@H](C)CNC(C)c1ccco1 59b33114f0538c4af4165c12d3cb66e7 [0,2,0,0,0,0|1,0,1]=4 3946 B13R1.162 CC[C@@H](C)CN[C@H](C)c1ccco1 e18b3da83df2bf9d3b3ccc28af4e1e2b [0,2,0,0,0,0|1,0,1]=4 3947 B13R1.162 CC[C@@H](C)COC(C)c1ccco1 4bda58859db05b5ac5429e760a283dd4 [0,2,0,0,0,0|1,0,1]=4 3948 B13R1.162 CC[C@@H](C)CO[C@H](C)c1ccco1 118a1bf70f2096510ad055b26e4fdf72 [0,2,0,0,0,0|1,0,1]=4 3949 B13R1.162 CC[C@@H](C)NCC(=O)c1ccco1 635b06fbf6749d6ab3fdb4ad7eb4b4ae [0,2,0,0,0,0|0,0,0]=2 3950 B13R1.162 CC[C@@H](C)NCC(=O)c1cccs1 22961f4389748102e0d353e86784ae64 [0,2,0,0,0,0|0,1,0]=3 3951 B13R1.162 CC[C@@H](C)NCC(=O)c1ccsc1 aa0bbdafa5428cc9920dcfa6cb22e692 [0,2,0,0,0,0|2,0,0]=4 3952 B13R1.162 CC[C@@H](C)NCC(=O)c1cocn1 b3faf1525220fcd7a05a75cb02be0bf3 [0,2,0,0,0,0|2,0,0]=4 3953 B13R1.162 CC[C@@H](C)NCC(=O)c1nccs1 deccdb416955a3035cd7cc8988055f21 [0,2,0,0,0,0|1,1,0]=4 3954 B13R1.162 CC[C@@H](C)NCC(=O)n1cccn1 1d77d19c3a59f12b81b18d0110e6d075 [0,2,0,0,0,0|2,0,0]=4 3955 B13R1.162 CC[C@@H](C)OCC(=O)c1ccco1 0dd494330ccce2c37e424aff6c17e555 [0,2,0,0,0,0|0,0,0]=2 3956 B13R1.162 CC[C@@H](C)OCC(=O)c1cccs1 64903b27747a0517a9ca8a3ac222ce5e [0,2,0,0,0,0|0,1,0]=3 3957 B13R1.162 CC[C@@H](C)OCC(=O)c1ccsc1 73345503a3325e22d576800d0bc106a0 [0,2,0,0,0,0|2,0,0]=4 3958 B13R1.162 CC[C@@H](C)OCC(=O)c1cocn1 becf265333d722043434a746faf950b8 [0,2,0,0,0,0|2,0,0]=4 3959 B13R1.162 CC[C@@H](C)OCC(=O)c1ncco1 a2080c431c9c0d66af153cac92f6bfa6 [0,2,0,0,0,0|1,0,0]=3 3960 B13R1.162 CC[C@@H](C)OCC(=O)c1nccs1 7b5ef05c057e41888b587d541bccb6c4 [0,2,0,0,0,0|1,1,0]=4 3961 B13R1.162 CC[C@@H](C)OCC(=O)n1cccn1 f5a3a99822dac509d99a45bc13b23c09 [0,2,0,0,0,0|2,0,0]=4 3962 B13R1.162 CC[C@@H](O)CNC(=O)c1ccco1 38167f0092be489a2098169f0686c794 [0,2,0,0,0,0|0,0,0]=2 3963 B13R1.162 CC[C@@H](O)CNC(=O)c1cccs1 c5a0101768ce8647c89f909b3b01a32e [0,2,0,0,0,0|0,1,0]=3 3964 B13R1.162 CC[C@@H](O)CNC(=O)c1ccno1 768c75b99186bd4bc3309cc591f684e5 [0,2,0,0,0,0|1,0,0]=3 3965 B13R1.162 CC[C@@H](O)CNC(=O)c1ccns1 9c0b0f1f648ad76f8caab8ade4dc2fd4 [0,2,0,0,0,0|1,1,0]=4 3966 B13R1.162 CC[C@@H](O)CNC(=O)c1ccoc1 723065e454e4620b18c73ee0f6e6bbe2 [0,2,0,0,0,0|2,0,0]=4 3967 B13R1.162 CC[C@@H](O)CNC(=O)c1ccon1 c04ff2e6f33a0d6aa43b1f273bf9e484 [0,2,0,0,0,0|2,0,0]=4 3968 B13R1.162 CC[C@@H](O)CNC(=O)c1ccsc1 63653fc8d7decdbd4df79e30095b48db [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.162 CC[C@@H](O)CNC(=O)c1ccsn1 915368019d1aca3928edda5d0fd6d563 [0,2,0,0,0,0|2,0,0]=4 3970 B13R1.162 CC[C@@H](O)CNC(=O)c1cnco1 b089f34159cd6b8321bbb42428ab3897 [0,2,0,0,0,0|1,0,0]=3 3971 B13R1.162 CC[C@@H](O)CNC(=O)c1cncs1 1f228f0b7e4138bec8d3a59c00e2c78d [0,2,0,0,0,0|1,1,0]=4 3972 B13R1.162 CC[C@@H](O)CNC(=O)c1cocn1 8ada6e278918157af0c39227d53dbd72 [0,2,0,0,0,0|2,0,0]=4 3973 B13R1.162 CC[C@@H](O)CNC(=O)c1cscn1 6549fbd928675ca987f87ffa293c6a05 [0,2,0,0,0,0|2,0,0]=4 3974 B13R1.162 CC[C@@H](O)CNC(=O)c1ncco1 2efd83ddaf6939bc8414b7e7c48c7e87 [0,2,0,0,0,0|1,0,0]=3 3975 B13R1.162 CC[C@@H](O)CNC(=O)c1nccs1 792b4aa3c8d88fb896046d971c60ee00 [0,2,0,0,0,0|1,1,0]=4 3976 B13R1.162 CC[C@@H](O)CNC(=O)c1nnco1 e12578c1b50117b4deee25e36554ab7c [0,2,0,0,0,0|2,0,0]=4 3977 B13R1.162 CC[C@H](C)CNC(=O)c1ccco1 529040a2015b151a39a2583edb961967 [0,2,0,0,0,0|0,0,0]=2 3978 B13R1.162 CC[C@H](C)CNC(=O)c1cccs1 af1019799990e8968b8499b331c9c67d [0,2,0,0,0,0|0,1,0]=3 3979 B13R1.162 CC[C@H](C)CNC(=O)c1ccno1 9399bbaf65ccde5a95cf1cd356a703cd [0,2,0,0,0,0|1,0,0]=3 3980 B13R1.162 CC[C@H](C)CNC(=O)c1ccns1 8999e62557731cd82339250fa2850574 [0,2,0,0,0,0|1,1,0]=4 3981 B13R1.162 CC[C@H](C)CNC(=O)c1ccoc1 85ea6aca188650d376f4501096480482 [0,2,0,0,0,0|2,0,0]=4 3982 B13R1.162 CC[C@H](C)CNC(=O)c1ccon1 3bca5d03abe047b7fb07c29b1ad7df0c [0,2,0,0,0,0|2,0,0]=4 3983 B13R1.162 CC[C@H](C)CNC(=O)c1ccsc1 4215e849ac7515d5ab39319dbfda698a [0,2,0,0,0,0|2,0,0]=4 3984 B13R1.162 CC[C@H](C)CNC(=O)c1ccsn1 0540b2a858cbc089ad5b56ea894d9daa [0,2,0,0,0,0|2,0,0]=4 3985 B13R1.162 CC[C@H](C)CNC(=O)c1cnco1 39cf48ef7232470a621cc29179319a84 [0,2,0,0,0,0|1,0,0]=3 3986 B13R1.162 CC[C@H](C)CNC(=O)c1cncs1 6737eb17e8453aa4c90250e7b5482e0a [0,2,0,0,0,0|1,1,0]=4 3987 B13R1.162 CC[C@H](C)CNC(=O)c1cocn1 403f0e8fae218a5bfc035184581f7345 [0,2,0,0,0,0|2,0,0]=4 3988 B13R1.162 CC[C@H](C)CNC(=O)c1cscn1 a8e576ec170b4a2b4f3aa736c8d9104b [0,2,0,0,0,0|2,0,0]=4 3989 B13R1.162 CC[C@H](C)CNC(=O)c1ncco1 834c2dead051ecc31fd6fb7fbab64ef9 [0,2,0,0,0,0|1,0,0]=3 3990 B13R1.162 CC[C@H](C)CNC(=O)c1nccs1 096c08acc93dd9416f2922672b8f8e5a [0,2,0,0,0,0|1,1,0]=4 3991 B13R1.162 CC[C@H](C)CNC(=O)c1nnco1 269713213d15508a3a73db527844d592 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.162 CC[C@H](C)CNC(C)c1ccco1 bb98066959099b5368bd198d1300aebd [0,2,0,0,0,0|1,0,1]=4 3993 B13R1.162 CC[C@H](C)CN[C@H](C)c1ccco1 5e80e66759acf9d6d7f611ef45a70f9b [0,2,0,0,0,0|1,0,1]=4 3994 B13R1.162 CC[C@H](C)COC(C)c1ccco1 3e77652396b2aa68781137769ecd2242 [0,2,0,0,0,0|1,0,1]=4 3995 B13R1.162 CC[C@H](C)CO[C@H](C)c1ccco1 7f0e35eb345d04e55343d3f3cee9c2c4 [0,2,0,0,0,0|1,0,1]=4 3996 B13R1.162 CC[C@H](C)NCC(=O)c1ccco1 7ee4c7e38c576c78db37cb0b2b37ba10 [0,2,0,0,0,0|0,0,0]=2 3997 B13R1.162 CC[C@H](C)NCC(=O)c1cccs1 3f68cb9c601503904b4f25ff5ca7818e [0,2,0,0,0,0|0,1,0]=3 3998 B13R1.162 CC[C@H](C)NCC(=O)c1ccsc1 b23841088f5c2da857a5dd0e007e0241 [0,2,0,0,0,0|2,0,0]=4 3999 B13R1.162 CC[C@H](C)NCC(=O)c1cocn1 8d37312cccbdd437d33e27afc7b79d95 [0,2,0,0,0,0|2,0,0]=4 4000 B13R1.162 CC[C@H](C)NCC(=O)c1nccs1 66659475b863be9c9ed07bb108096dcd [0,2,0,0,0,0|1,1,0]=4 4001 B13R1.162 CC[C@H](C)NCC(=O)n1cccn1 b48471388a247a2c7e0b7e3da5a821a2 [0,2,0,0,0,0|2,0,0]=4 4002 B13R1.162 CC[C@H](C)OCC(=O)c1ccco1 2872d9e5b39b97eafd5bb1c70335b266 [0,2,0,0,0,0|0,0,0]=2 4003 B13R1.162 CC[C@H](C)OCC(=O)c1cccs1 63ebdcfa48692bfc8ec62e693fbb4fda [0,2,0,0,0,0|0,1,0]=3 4004 B13R1.162 CC[C@H](C)OCC(=O)c1ccsc1 a39da0b6ac10fdf724ff5f8480330564 [0,2,0,0,0,0|2,0,0]=4 4005 B13R1.162 CC[C@H](C)OCC(=O)c1cocn1 5e3e10081808d4f1f988e5477687c94b [0,2,0,0,0,0|2,0,0]=4 4006 B13R1.162 CC[C@H](C)OCC(=O)c1ncco1 15d724ccc38a2c0f5cf7962e76865f8c [0,2,0,0,0,0|1,0,0]=3 4007 B13R1.162 CC[C@H](C)OCC(=O)c1nccs1 d9db475a878f0e64f7ce68cd18669a7d [0,2,0,0,0,0|1,1,0]=4 4008 B13R1.162 CC[C@H](C)OCC(=O)n1cccn1 30950d831aa4b4a8c61b1e46d1a67d63 [0,2,0,0,0,0|2,0,0]=4 4009 B13R1.162 CNC(=O)CNC(=O)c1ccco1 c48a6d599fbe062c780169b4c6ef66bb [0,2,0,0,0,0|1,0,1]=4 4010 B13R1.162 COC(=O)CNC(=O)c1ccco1 313eb12b3160e65910fff11309149879 [0,2,0,0,0,0|1,0,1]=4 4011 B13R1.162 CO[C@@H](C)CNC(=O)c1ccco1 11045a02e176ebdf66072437020dee85 [0,2,0,0,0,0|1,0,0]=3 4012 B13R1.162 CO[C@@H](C)CNC(=O)c1cccs1 a4d89bcea588cd10098dba5f0d7b47b5 [0,2,0,0,0,0|1,1,0]=4 4013 B13R1.162 CO[C@@H](C)CNC(=O)c1ccno1 16f70dc3a5f1c2563638562706548118 [0,2,0,0,0,0|2,0,0]=4 4014 B13R1.162 CO[C@@H](C)CNC(=O)c1cnco1 238623f0d6b27856f7feed0ae387c4d6 [0,2,0,0,0,0|2,0,0]=4 4015 B13R1.162 CO[C@@H](C)CNC(=O)c1ncco1 6cf847a23bffd487cb178c7a80b5eef4 [0,2,0,0,0,0|2,0,0]=4 4016 B13R1.162 CO[C@H](C)CNC(=O)c1ccco1 f7673e5b8bea27e5563b68caadae9cd0 [0,2,0,0,0,0|1,0,0]=3 4017 B13R1.162 CO[C@H](C)CNC(=O)c1cccs1 aaf82f163332fd4aa95221b55fce8737 [0,2,0,0,0,0|1,1,0]=4 4018 B13R1.162 CO[C@H](C)CNC(=O)c1ccno1 fd04bfd0ff939f16c60cdeeaa8547d25 [0,2,0,0,0,0|2,0,0]=4 4019 B13R1.162 CO[C@H](C)CNC(=O)c1cnco1 3b49e5b6dfc384800f74d97ebd526701 [0,2,0,0,0,0|2,0,0]=4 4020 B13R1.162 CO[C@H](C)CNC(=O)c1ncco1 d0088fa0e80ab67c71676d59eb182ebe [0,2,0,0,0,0|2,0,0]=4 4021 B13R1.162 C[C@@H](CO)NCC(=O)c1ccco1 f53f4fad80cf84848f1d4cad4abd0424 [0,2,0,0,0,0|1,0,0]=3 4022 B13R1.162 C[C@@H](CO)NCC(=O)c1cccs1 460732f487db4607e0849a1c8edf5270 [0,2,0,0,0,0|1,1,0]=4 4023 B13R1.162 C[C@@H](CO)NCC(=O)c1ncco1 a5e5b35ddb12967699c54d206d923aae [0,2,0,0,0,0|2,0,0]=4 4024 B13R1.162 C[C@H](C=O)OCC(=O)c1ccco1 2d3fd984bd05340a5663858e53c814fc [0,2,0,0,0,0|1,0,0]=3 4025 B13R1.162 C[C@H](CO)CNC(=O)c1ccco1 196167a4507a0b60435d3629f6c88a13 [0,2,0,0,0,0|1,0,0]=3 4026 B13R1.162 C[C@H](CO)CNC(=O)c1cccs1 e2adf69a4ef5902f61de5bb6026d05e9 [0,2,0,0,0,0|1,1,0]=4 4027 B13R1.162 C[C@H](CO)CNC(=O)c1ccno1 864b841719ee5c065a8b0977862e4797 [0,2,0,0,0,0|2,0,0]=4 4028 B13R1.162 C[C@H](CO)CNC(=O)c1cnco1 8bd39132eaf5e1b9ab51a5b490ae7419 [0,2,0,0,0,0|2,0,0]=4 4029 B13R1.162 C[C@H](CO)CNC(=O)c1ncco1 ed210d5d450de78a790db2ad908ee484 [0,2,0,0,0,0|2,0,0]=4 4030 B13R1.162 C[C@H](CO)NCC(=O)c1ccco1 2213cf619ff9b5a3769d416394038404 [0,2,0,0,0,0|1,0,0]=3 4031 B13R1.162 C[C@H](CO)NCC(=O)c1cccs1 4de3cfe0ec70521a1bcefd02c9e769f8 [0,2,0,0,0,0|1,1,0]=4 4032 B13R1.162 C[C@H](CO)NCC(=O)c1ncco1 c507696a9db180a66145042d9997c2fd [0,2,0,0,0,0|2,0,0]=4 4033 B13R1.162 C[C@H](CS)OCC(=O)c1ccco1 627006a9488471055011e495dcd0799d [0,2,0,0,0,0|1,0,0]=3 4034 B13R1.162 C[C@H](CS)OCC(=O)c1cccs1 32d66614faf65f4af3e56a99abd7dde9 [0,2,0,0,0,0|1,1,0]=4 4035 B13R1.162 O=C(NCC(Br)CBr)c1ccco1 169376d0a9ea6390e88fdbd134cb1ce5 [0,2,0,0,0,0|1,0,0]=3 4036 B13R1.162 O=C(NCC(Br)CBr)c1cccs1 c40a9ed57c57a99dfd92d248ad560679 [0,2,0,0,0,0|1,1,0]=4 4037 B13R1.162 O=C(NCC(Br)CBr)c1ccno1 c1c629a436f38de463d10482d87da7c1 [0,2,0,0,0,0|2,0,0]=4 4038 B13R1.162 O=C(NCC(Br)CBr)c1cnco1 e30245ed62916d824441d10c4a88696a [0,2,0,0,0,0|2,0,0]=4 4039 B13R1.162 O=C(NCC(Br)CBr)c1ncco1 754ce19f7998e43f1eb45f1b5d6a6c79 [0,2,0,0,0,0|2,0,0]=4 4040 B13R1.162 O=C(NCC(F)CO)c1ccco1 66dac165bf664b8438b0cb38e0a91f52 [0,2,0,0,0,0|1,0,0]=3 4041 B13R1.162 O=C(NCC(F)CO)c1cccs1 d31756e906a4392fa3ddac69fab90263 [0,2,0,0,0,0|1,1,0]=4 4042 B13R1.162 O=C(NCC(F)CO)c1ccno1 154fdfc8093ef2c9070c89a63dcce004 [0,2,0,0,0,0|2,0,0]=4 4043 B13R1.162 O=C(NCC(F)CO)c1cnco1 a269d104a14fd4927091f6c974b29d1c [0,2,0,0,0,0|2,0,0]=4 4044 B13R1.162 O=C(NCC(F)CO)c1ncco1 c5713833e37945fcf1e7915d7feac879 [0,2,0,0,0,0|2,0,0]=4 4045 B13R1.162 O=C(NCC(O)CO)c1ccco1 d80a4f635cea256ff531e11ef648f1a7 [0,2,0,0,0,0|1,0,0]=3 4046 B13R1.162 O=C(NCC(O)CO)c1cccs1 82b733bc6d7ea6ef3589b3b52d403ee9 [0,2,0,0,0,0|1,1,0]=4 4047 B13R1.162 O=C(NCC(O)CO)c1ccno1 804a785f573c76e2ff44d66a44aa85d2 [0,2,0,0,0,0|2,0,0]=4 4048 B13R1.162 O=C(NCC(O)CO)c1cnco1 b13a5b3774376d0a05c39074256b84cd [0,2,0,0,0,0|2,0,0]=4 4049 B13R1.162 O=C(NCC(O)CO)c1ncco1 dcb8d47847c083e8a6eab3f54e6bf3a5 [0,2,0,0,0,0|2,0,0]=4 4050 B13R1.162 O=C(NC[C@@H](F)CO)c1ccco1 ce734fadfc614210c81f08834d578a75 [0,2,0,0,0,0|1,0,0]=3 4051 B13R1.162 O=C(NC[C@@H](F)CO)c1cccs1 776dc6ee1f96857c382d3b5c46d78099 [0,2,0,0,0,0|1,1,0]=4 4052 B13R1.162 O=C(NC[C@@H](F)CO)c1ccno1 316d48401dae725304301c8127e17dfc [0,2,0,0,0,0|2,0,0]=4 4053 B13R1.162 O=C(NC[C@@H](F)CO)c1cnco1 f70967170d8151dac7c4dc6c8a59e3c8 [0,2,0,0,0,0|2,0,0]=4 4054 B13R1.162 O=C(NC[C@@H](F)CO)c1ncco1 28aa301974827b0510fdfb9e377b4ead [0,2,0,0,0,0|2,0,0]=4 4055 B13R1.162 O=C(NC[C@@H](O)CO)c1ccco1 34bd18a98bacae68223816dbb899236a [0,2,0,0,0,0|1,0,0]=3 4056 B13R1.162 O=C(NC[C@@H](O)CO)c1cccs1 7f6eb5dcdf712d4a659abba39f211098 [0,2,0,0,0,0|1,1,0]=4 4057 B13R1.162 O=C(NC[C@@H](O)CO)c1ccno1 218c8abd4717f47593faeca838c99535 [0,2,0,0,0,0|2,0,0]=4 4058 B13R1.162 O=C(NC[C@@H](O)CO)c1cnco1 c2c86b5235c086bdcb39e8bf946cfb9e [0,2,0,0,0,0|2,0,0]=4 4059 B13R1.162 O=C(NC[C@@H](O)CO)c1ncco1 eaaf4846c3a034ff09a0ea4fe4b2320f [0,2,0,0,0,0|2,0,0]=4 4060 B13R1.162 O=C(NC[C@H](F)CO)c1ccco1 081c969a140ccd14137f3dc3179275d2 [0,2,0,0,0,0|1,0,0]=3 4061 B13R1.162 O=C(NC[C@H](F)CO)c1cccs1 393ade10c6d555506f3051864ae75da4 [0,2,0,0,0,0|1,1,0]=4 4062 B13R1.162 O=C(NC[C@H](F)CO)c1ccno1 73b48e3a8f23fe7e4bc7d15b56a37d81 [0,2,0,0,0,0|2,0,0]=4 4063 B13R1.162 O=C(NC[C@H](F)CO)c1cnco1 4b0a14166548282a687aa8f86dc17127 [0,2,0,0,0,0|2,0,0]=4 4064 B13R1.162 O=C(NC[C@H](F)CO)c1ncco1 f5f4c4163ea4215f168498b325cdb0d7 [0,2,0,0,0,0|2,0,0]=4 4065 B13R1.162 O=C(NC[C@H](O)CO)c1ccco1 5a2e9e566c9083fd24b630da9417738f [0,2,0,0,0,0|1,0,0]=3 4066 B13R1.162 O=C(NC[C@H](O)CO)c1cccs1 8e9e7ffd5cfac318a29d2380ee7a9848 [0,2,0,0,0,0|1,1,0]=4 4067 B13R1.162 O=C(NC[C@H](O)CO)c1ccno1 71ecffed2d6591ed9095224bc070bcb4 [0,2,0,0,0,0|2,0,0]=4 4068 B13R1.162 O=C(NC[C@H](O)CO)c1cnco1 c8919e7045fb6c3a75120fefb4e94d7e [0,2,0,0,0,0|2,0,0]=4 4069 B13R1.162 O=C(NC[C@H](O)CO)c1ncco1 856ca04b32c0f59fb93d62ef74904860 [0,2,0,0,0,0|2,0,0]=4 4070 B13R1.342 C=C(Br)CNCC(=O)c1ccco1 a9cc2c4b4ed59a55b55fabd15dfbea29 [0,2,0,0,0,0|0,0,2]=4 4071 B13R1.342 C=C(Br)COCC(=O)c1ccco1 b35eca6ed1c28d5d7dcf0f573199a201 [0,2,0,0,0,0|0,0,2]=4 4072 B13R1.342 C=C(C)CCNC(=O)c1ccco1 206a22ab1e5b1b4d6792e3432b442672 [0,2,0,0,0,0|0,0,1]=3 4073 B13R1.342 C=C(C)CCNC(=O)c1cccs1 869ea04f053e7629f6a00af068bd8dcb [0,2,0,0,0,0|0,1,1]=4 4074 B13R1.342 C=C(C)CCNC(=O)c1ccno1 eb389717350161beda98c11bf34dde72 [0,2,0,0,0,0|1,0,1]=4 4075 B13R1.342 C=C(C)CCNC(=O)c1cnco1 1b15486afe5fd720946af6e130f6ed55 [0,2,0,0,0,0|1,0,1]=4 4076 B13R1.342 C=C(C)CCNC(=O)c1ncco1 177ecd9e06db01673697868584e50076 [0,2,0,0,0,0|1,0,1]=4 4077 B13R1.342 C=C(C)CNCC(=O)c1ccc[nH]1 8b716f5cc0da38aae4c719db2806ee85 [0,2,0,0,0,0|1,0,1]=4 4078 B13R1.342 C=C(C)CNCC(=O)c1ccco1 400fce27148c35877fd40926b091943b [0,2,0,0,0,0|0,0,1]=3 4079 B13R1.342 C=C(C)CNCC(=O)c1cccs1 38ef4a8855cfc1ef267e3f069ea22118 [0,2,0,0,0,0|0,1,1]=4 4080 B13R1.342 C=C(C)CNCC(=O)c1ncco1 4daef01f7ca0105b1a7996f32cb2b1d4 [0,2,0,0,0,0|1,0,1]=4 4081 B13R1.342 C=C(C)COCC(=O)c1ccco1 774978ddc0a41f6fca019aeafb713d60 [0,2,0,0,0,0|0,0,1]=3 4082 B13R1.342 C=C(C)COCC(=O)c1cccs1 1d6b989b5fe9e50a5f254f7489ec56d2 [0,2,0,0,0,0|0,1,1]=4 4083 B13R1.342 C=C(C)COCC(=O)c1ncco1 8aae0b25894078d8b254995716297347 [0,2,0,0,0,0|1,0,1]=4 4084 B13R1.342 C=C(Cl)COCC(=O)c1ccco1 17731439524c0e8928b412b17c2790a6 [0,2,0,0,0,0|0,0,2]=4 4085 B13R1.342 C=C(F)COCC(=O)c1ccco1 14f6b16b4bb762d89f5d7e7747e44c06 [0,2,0,0,0,0|0,0,2]=4 4086 B13R1.342 C=C(I)COCC(=O)c1ccco1 06e74ac85eefe500d778fa966de325a6 [0,2,0,0,0,0|0,0,2]=4 4087 B13R1.342 CC(=CCNC(=O)c1ccco1)C f9eddaee791038e74504af3ef136349a [0,2,0,0,0,0|0,0,2]=4 4088 B13R1.342 CC(=O)CNCC(=O)c1ccco1 17749e0aa12b9da516045bff116a624d [0,2,0,0,0,0|0,0,1]=3 4089 B13R1.342 CC(=O)CNCC(=O)c1cccs1 efd232f5a7fb1516bf18b19ce38e0e93 [0,2,0,0,0,0|0,1,1]=4 4090 B13R1.342 CC(=O)CNCC(=O)c1ncco1 7e25433b8efe8e4df40fe2d673298df2 [0,2,0,0,0,0|1,0,1]=4 4091 B13R1.342 CC(=O)COCC(=O)c1ccco1 a518f7c77d894c5cb512b248b957cd35 [0,2,0,0,0,0|0,0,1]=3 4092 B13R1.342 CC(=O)COCC(=O)c1cccs1 1a95a0ba5377e6a48732a0b79f4430cf [0,2,0,0,0,0|0,1,1]=4 4093 B13R1.342 CC(=O)COCC(=O)c1ncco1 3ea7052eb3ccc4184928d136fb5d24b2 [0,2,0,0,0,0|1,0,1]=4 4094 B13R1.342 CC(C)CCNC(=O)c1ccco1 b640792c0ad8faef4fd1eca30144a1d9 [0,2,0,0,0,0|0,0,0]=2 4095 B13R1.342 CC(C)CCNC(=O)c1cccs1 bf6ca7016644df0ac11ae47e63ad797b [0,2,0,0,0,0|0,1,0]=3 4096 B13R1.342 CC(C)CCNC(=O)c1ccno1 e2feb174690a481b146d84a241f9fb2d [0,2,0,0,0,0|1,0,0]=3 4097 B13R1.342 CC(C)CCNC(=O)c1ccns1 c9bf262ff4c889e9666739ed356c0017 [0,2,0,0,0,0|1,1,0]=4 4098 B13R1.342 CC(C)CCNC(=O)c1ccoc1 ddfa409fb174e40ce9d23a44286f4bd4 [0,2,0,0,0,0|2,0,0]=4 4099 B13R1.342 CC(C)CCNC(=O)c1ccon1 af5daa5ce97fd504f66c3b3825433f32 [0,2,0,0,0,0|2,0,0]=4 4100 B13R1.342 CC(C)CCNC(=O)c1ccsc1 be4f208052725a55479c2800fff93306 [0,2,0,0,0,0|2,0,0]=4 4101 B13R1.342 CC(C)CCNC(=O)c1ccsn1 4261d33dbfb1f2c6b5671f8c25fea897 [0,2,0,0,0,0|2,0,0]=4 4102 B13R1.342 CC(C)CCNC(=O)c1cnco1 34a104af3ed57eabbebbc882032dedf9 [0,2,0,0,0,0|1,0,0]=3 4103 B13R1.342 CC(C)CCNC(=O)c1cncs1 b283f5355124b967aa53c1c8f20b764e [0,2,0,0,0,0|1,1,0]=4 4104 B13R1.342 CC(C)CCNC(=O)c1cocn1 0c2101b7bc9453d1f7058d269c372c2f [0,2,0,0,0,0|2,0,0]=4 4105 B13R1.342 CC(C)CCNC(=O)c1cscn1 734550766476cafeddaa30af1865064e [0,2,0,0,0,0|2,0,0]=4 4106 B13R1.342 CC(C)CCNC(=O)c1ncco1 8e17a5a4186286f62288c83ec32a2e2b [0,2,0,0,0,0|1,0,0]=3 4107 B13R1.342 CC(C)CCNC(=O)c1nccs1 b73899be7fab4d022027f67fa7ffae80 [0,2,0,0,0,0|1,1,0]=4 4108 B13R1.342 CC(C)CCNC(=O)c1nnco1 1884a9656617888fa2079493456c4101 [0,2,0,0,0,0|2,0,0]=4 4109 B13R1.342 CC(C)CCNC(C)c1ccco1 2e9eb67987e86445bf60535dadc81c4a [0,2,0,0,0,0|1,0,1]=4 4110 B13R1.342 CC(C)CCN[C@H](C)c1ccco1 b37fe48e321ff456083fc6a64d45b593 [0,2,0,0,0,0|1,0,1]=4 4111 B13R1.342 CC(C)CCOC(C)c1ccco1 2e786a7e6890abb7677af751ee5d18a2 [0,2,0,0,0,0|1,0,1]=4 4112 B13R1.342 CC(C)CCO[C@H](C)c1ccco1 baf8b2d580df65f05ede12b41ce5a6fe [0,2,0,0,0,0|1,0,1]=4 4113 B13R1.342 CC(C)CNCC(=O)c1ccco1 4c896a59f005e9214454b4a8c350f92d [0,2,0,0,0,0|0,0,0]=2 4114 B13R1.342 CC(C)CNCC(=O)c1cccs1 21af527061bceb9b9de61b6826fb9967 [0,2,0,0,0,0|0,1,0]=3 4115 B13R1.342 CC(C)CNCC(=O)c1ccsc1 d68b4c52ce221a4a2d4d27331359cba9 [0,2,0,0,0,0|2,0,0]=4 4116 B13R1.342 CC(C)CNCC(=O)c1cocn1 1d70afb56e4a84d0cd3d4b2f098b1787 [0,2,0,0,0,0|2,0,0]=4 4117 B13R1.342 CC(C)CNCC(=O)c1ncco1 9bb08d7c21ebdd88e74604a52a4aa5ce [0,2,0,0,0,0|1,0,0]=3 4118 B13R1.342 CC(C)CNCC(=O)c1nccs1 cf9cd1bad5d102eba1292933f3d8b8cb [0,2,0,0,0,0|1,1,0]=4 4119 B13R1.342 CC(C)CNCC(=O)n1cccn1 f55b267c5ccbb4f932b20258fb68afc2 [0,2,0,0,0,0|2,0,0]=4 4120 B13R1.342 CC(C)CNCC(O)c1ccco1 ddd8d09cdae9882d10d76b1e38f5f139 [0,2,0,0,0,0|0,0,2]=4 4121 B13R1.342 CC(C)COCC(=O)c1ccco1 8deba3824af57b38720105304740f64e [0,2,0,0,0,0|0,0,0]=2 4122 B13R1.342 CC(C)COCC(=O)c1cccs1 e8192117e010ea0f0f08111085aa1ac1 [0,2,0,0,0,0|0,1,0]=3 4123 B13R1.342 CC(C)COCC(=O)c1ccsc1 33f6be869e44fcbc280a66dbed93f9c0 [0,2,0,0,0,0|2,0,0]=4 4124 B13R1.342 CC(C)COCC(=O)c1cocn1 0de63dd47122ad74e501714c2797f25f [0,2,0,0,0,0|2,0,0]=4 4125 B13R1.342 CC(C)COCC(=O)c1ncco1 063a8f295751e4564f9d519854aeb2ee [0,2,0,0,0,0|1,0,0]=3 4126 B13R1.342 CC(C)COCC(=O)c1nccs1 ec349d2cfa15f11a5183c7c7ec2a48c4 [0,2,0,0,0,0|1,1,0]=4 4127 B13R1.342 CC(C)COCC(=O)n1cccn1 f43841e08777588065e9ae87e2d80447 [0,2,0,0,0,0|2,0,0]=4 4128 B13R1.342 CC(F)COCC(=O)c1ccco1 c72b2a98a9dd1ade5279ed1dc8c34e6a [0,2,0,0,0,0|0,0,0]=2 4129 B13R1.342 CC(F)COCC(=O)c1cccs1 9ad5b0de58ecf8ff29f159e762e8d8b4 [0,2,0,0,0,0|0,1,0]=3 4130 B13R1.342 CC(F)COCC(=O)c1ccsc1 31e7850a0df30235a9d968849cc7eb5a [0,2,0,0,0,0|2,0,0]=4 4131 B13R1.342 CC(F)COCC(=O)c1cocn1 f6dd930f9787b8d056f491d260c94da5 [0,2,0,0,0,0|2,0,0]=4 4132 B13R1.342 CC(F)COCC(=O)c1ncco1 22052785171a87129a6342375625e6ce [0,2,0,0,0,0|1,0,0]=3 4133 B13R1.342 CC(F)COCC(=O)c1nccs1 2fa77bd7717dceb90b47bc016d80cedb [0,2,0,0,0,0|1,1,0]=4 4134 B13R1.342 CC(F)COCC(=O)n1cccn1 ee18a7aa5e755371cc5c08b8bb06ad0b [0,2,0,0,0,0|2,0,0]=4 4135 B13R1.342 CC(O)CCNC(=O)c1ccco1 624072387adbb85cab7f416a93c55439 [0,2,0,0,0,0|0,0,0]=2 4136 B13R1.342 CC(O)CCNC(=O)c1cccs1 a04df4f67d60c03edef5a84c6c925500 [0,2,0,0,0,0|0,1,0]=3 4137 B13R1.342 CC(O)CCNC(=O)c1ccno1 0b71f610be35fbb318169dcad2020883 [0,2,0,0,0,0|1,0,0]=3 4138 B13R1.342 CC(O)CCNC(=O)c1ccns1 1e415093b843848e80b86ba85ab6cc35 [0,2,0,0,0,0|1,1,0]=4 4139 B13R1.342 CC(O)CCNC(=O)c1ccoc1 2faf8fce2573cceebcf0e7989b654e04 [0,2,0,0,0,0|2,0,0]=4 4140 B13R1.342 CC(O)CCNC(=O)c1ccon1 35c8fd14dfee2a6cb440de40eccf2cbd [0,2,0,0,0,0|2,0,0]=4 4141 B13R1.342 CC(O)CCNC(=O)c1ccsc1 c0f03ecbc632b7fe6fcfaba96808b72b [0,2,0,0,0,0|2,0,0]=4 4142 B13R1.342 CC(O)CCNC(=O)c1ccsn1 527c296749bb5e99761dc260bd4e0cdf [0,2,0,0,0,0|2,0,0]=4 4143 B13R1.342 CC(O)CCNC(=O)c1cnco1 f658f6c4928e7b4889220d6031c20aff [0,2,0,0,0,0|1,0,0]=3 4144 B13R1.342 CC(O)CCNC(=O)c1cncs1 4038a3a20bd65b9b5fad681fba25cf08 [0,2,0,0,0,0|1,1,0]=4 4145 B13R1.342 CC(O)CCNC(=O)c1cocn1 ea754cb320a1da704a4d54e9cc8aa7d9 [0,2,0,0,0,0|2,0,0]=4 4146 B13R1.342 CC(O)CCNC(=O)c1cscn1 14736178ccf1218c966fd2c23b9bc696 [0,2,0,0,0,0|2,0,0]=4 4147 B13R1.342 CC(O)CCNC(=O)c1ncco1 a98c9b3d115339e1b6b5878a1445c3e2 [0,2,0,0,0,0|1,0,0]=3 4148 B13R1.342 CC(O)CCNC(=O)c1nccs1 d17e3809be6cea14e183d71bd67560f0 [0,2,0,0,0,0|1,1,0]=4 4149 B13R1.342 CC(O)CCNC(=O)c1nnco1 065a6de28cc1089067b9d6419f52fd2a [0,2,0,0,0,0|2,0,0]=4 4150 B13R1.342 CC(O)CCNC(C)c1ccco1 7899c776662f1aa15f3958ba9819f8eb [0,2,0,0,0,0|1,0,1]=4 4151 B13R1.342 CC(O)CCN[C@H](C)c1ccco1 74de151234c45ecc17c7693994b045fc [0,2,0,0,0,0|1,0,1]=4 4152 B13R1.342 CC(O)CNCC(=O)c1ccco1 ec3911c9935634413dbe053cfe9ba00b [0,2,0,0,0,0|0,0,0]=2 4153 B13R1.342 CC(O)CNCC(=O)c1cccs1 869e9380ee111da13e36a358f4ba040d [0,2,0,0,0,0|0,1,0]=3 4154 B13R1.342 CC(O)CNCC(=O)c1ccsc1 31478b70124975092d003952f6240f33 [0,2,0,0,0,0|2,0,0]=4 4155 B13R1.342 CC(O)CNCC(=O)c1cocn1 82a2f672f5f69b4de38d9187cd6b9561 [0,2,0,0,0,0|2,0,0]=4 4156 B13R1.342 CC(O)CNCC(=O)c1ncco1 395f6dc2bcf427d922790e11f40ea35a [0,2,0,0,0,0|1,0,0]=3 4157 B13R1.342 CC(O)CNCC(=O)c1nccs1 0add14a4a50c7884ac62886f3a0909f3 [0,2,0,0,0,0|1,1,0]=4 4158 B13R1.342 CC(O)CNCC(=O)n1cccn1 16c0728b0118b416fe72449f6b73a66b [0,2,0,0,0,0|2,0,0]=4 4159 B13R1.342 CC(O)CNCC(O)c1ccco1 130a70c7a9e12855a79e4e775fe9d25f [0,2,0,0,0,0|0,0,2]=4 4160 B13R1.342 CC(S)COCC(=O)c1ccco1 f40a226fcc3669a99426f61c887a78ac [0,2,0,0,0,0|0,0,0]=2 4161 B13R1.342 CC(S)COCC(=O)c1cccs1 ce3eeb8f033c937ffd7cd4c5f4453ea7 [0,2,0,0,0,0|0,1,0]=3 4162 B13R1.342 CC(S)COCC(=O)c1ccsc1 70f6823ec24ac72c888484ac7b7e2df9 [0,2,0,0,0,0|2,0,0]=4 4163 B13R1.342 CC(S)COCC(=O)c1cocn1 ed18402a1ecadc296742cdc49ad06aaf [0,2,0,0,0,0|2,0,0]=4 4164 B13R1.342 CC(S)COCC(=O)c1ncco1 77fa6f0e62aae61cf2686bf56ae52dab [0,2,0,0,0,0|1,0,0]=3 4165 B13R1.342 CC(S)COCC(=O)c1nccs1 0ea7540276db46be4e897d30008afd42 [0,2,0,0,0,0|1,1,0]=4 4166 B13R1.342 CC(S)COCC(=O)n1cccn1 794e55a84789fb54e4e7f114ef8c8338 [0,2,0,0,0,0|2,0,0]=4 4167 B13R1.342 CN(C)CCNC(=O)c1ccco1 68a08fff251ef860caf1ae644fed93b1 [0,2,0,0,0,0|1,0,0]=3 4168 B13R1.342 CN(C)CCNC(=O)c1cccs1 e9a42d80cca02370215610efc6bc8296 [0,2,0,0,0,0|1,1,0]=4 4169 B13R1.342 CN(C)CCNC(=O)c1ccno1 e3c2fd9e755faac7d2e033f1db0341c9 [0,2,0,0,0,0|2,0,0]=4 4170 B13R1.342 CN(C)CCNC(=O)c1cnco1 1bb969077591c1ffe8f22db31d32790b [0,2,0,0,0,0|2,0,0]=4 4171 B13R1.342 CN(C)CCNC(=O)c1ncco1 f68d44620e10e3f9f6847f15e47661d4 [0,2,0,0,0,0|2,0,0]=4 4172 B13R1.342 CN(C)COCC(=O)c1ccco1 13d51e67a05d6723d7d904c01b65a5fb [0,2,0,0,0,0|1,0,0]=3 4173 B13R1.342 CS(=O)CCNC(=O)c1ccco1 02ae8ead90f05a063b322b603891d5ff [0,2,0,0,0,0|1,0,0]=3 4174 B13R1.342 CS(=O)CCNC(=O)c1cccs1 8635f168b9dbfc95df0f8416e1fdddd0 [0,2,0,0,0,0|1,1,0]=4 4175 B13R1.342 CS(=O)CCNC(=O)c1ccno1 7df5705e4f4e3056c90b0427a65c5351 [0,2,0,0,0,0|2,0,0]=4 4176 B13R1.342 CS(=O)CCNC(=O)c1cnco1 6a37b9c473a65edfd85b7b7167539306 [0,2,0,0,0,0|2,0,0]=4 4177 B13R1.342 CS(=O)CCNC(=O)c1ncco1 c707a92aff1b6af897276453bfd821d9 [0,2,0,0,0,0|2,0,0]=4 4178 B13R1.342 C[C@@H](F)COCC(=O)c1ccco1 7c94587038fdafa0d4acb8ffbea1ac13 [0,2,0,0,0,0|0,0,0]=2 4179 B13R1.342 C[C@@H](F)COCC(=O)c1cccs1 dc1ed1f407a12598edb2fb37410218df [0,2,0,0,0,0|0,1,0]=3 4180 B13R1.342 C[C@@H](F)COCC(=O)c1ccsc1 2a1a83afaafaab9d59bc08edadf49806 [0,2,0,0,0,0|2,0,0]=4 4181 B13R1.342 C[C@@H](F)COCC(=O)c1cocn1 7658871bd151663cf27855580a560a76 [0,2,0,0,0,0|2,0,0]=4 4182 B13R1.342 C[C@@H](F)COCC(=O)c1ncco1 928d1dea770b7e42661d27d79adb7c9b [0,2,0,0,0,0|1,0,0]=3 4183 B13R1.342 C[C@@H](F)COCC(=O)c1nccs1 476bf2dfacca85ca2951be4f75d6e11e [0,2,0,0,0,0|1,1,0]=4 4184 B13R1.342 C[C@@H](F)COCC(=O)n1cccn1 c3f60df2650efbf2cf8aace9b751f390 [0,2,0,0,0,0|2,0,0]=4 4185 B13R1.342 C[C@@H](O)CCNC(=O)c1ccco1 49c4ebc5df832faf9194b3a3a17eebc5 [0,2,0,0,0,0|0,0,0]=2 4186 B13R1.342 C[C@@H](O)CCNC(=O)c1cccs1 75bc03e60b1484f397b55061cf2c56db [0,2,0,0,0,0|0,1,0]=3 4187 B13R1.342 C[C@@H](O)CCNC(=O)c1ccno1 6a89b80b8af71265e5282308503a20ae [0,2,0,0,0,0|1,0,0]=3 4188 B13R1.342 C[C@@H](O)CCNC(=O)c1ccns1 f6e68720e5fb3edce68020c930a7797e [0,2,0,0,0,0|1,1,0]=4 4189 B13R1.342 C[C@@H](O)CCNC(=O)c1ccoc1 ea0c2589deb052aabed3d287df203d3b [0,2,0,0,0,0|2,0,0]=4 4190 B13R1.342 C[C@@H](O)CCNC(=O)c1ccon1 b74b16f2b88d0eec7111b2ae89fd176b [0,2,0,0,0,0|2,0,0]=4 4191 B13R1.342 C[C@@H](O)CCNC(=O)c1ccsc1 23dac807758ab5fdfcd49efd38d8dd6a [0,2,0,0,0,0|2,0,0]=4 4192 B13R1.342 C[C@@H](O)CCNC(=O)c1ccsn1 9c3cccab2434aabebd458f91c834b07f [0,2,0,0,0,0|2,0,0]=4 4193 B13R1.342 C[C@@H](O)CCNC(=O)c1cnco1 d811a46326f6d097a0efa31c969d44a9 [0,2,0,0,0,0|1,0,0]=3 4194 B13R1.342 C[C@@H](O)CCNC(=O)c1cncs1 af9893da7b855881368efea68b84724b [0,2,0,0,0,0|1,1,0]=4 4195 B13R1.342 C[C@@H](O)CCNC(=O)c1cocn1 9a6036979dc01fe0d15741870df9a9f2 [0,2,0,0,0,0|2,0,0]=4 4196 B13R1.342 C[C@@H](O)CCNC(=O)c1cscn1 4421697a2e265c27e3c592177988eec2 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.342 C[C@@H](O)CCNC(=O)c1ncco1 a3bea1182981635c01874d3730078675 [0,2,0,0,0,0|1,0,0]=3 4198 B13R1.342 C[C@@H](O)CCNC(=O)c1nccs1 be7ff31e7a2e20d890811024fc11608d [0,2,0,0,0,0|1,1,0]=4 4199 B13R1.342 C[C@@H](O)CCNC(=O)c1nnco1 bc896333d633437e9fc42540449ee5b8 [0,2,0,0,0,0|2,0,0]=4 4200 B13R1.342 C[C@@H](O)CNCC(=O)c1ccco1 59812e41a69953547e77d87426512143 [0,2,0,0,0,0|0,0,0]=2 4201 B13R1.342 C[C@@H](O)CNCC(=O)c1cccs1 19a4878b08278e26b0268d529eeb2677 [0,2,0,0,0,0|0,1,0]=3 4202 B13R1.342 C[C@@H](O)CNCC(=O)c1ccsc1 129a4c1f7261a84db01a4f3788101014 [0,2,0,0,0,0|2,0,0]=4 4203 B13R1.342 C[C@@H](O)CNCC(=O)c1cocn1 3ca36beac05f469544fcc3453e54787f [0,2,0,0,0,0|2,0,0]=4 4204 B13R1.342 C[C@@H](O)CNCC(=O)c1ncco1 77b026523d9bb82e3c605a79059cac12 [0,2,0,0,0,0|1,0,0]=3 4205 B13R1.342 C[C@@H](O)CNCC(=O)c1nccs1 5e9c64aa44c0ea4bfe7987a8bc6c6111 [0,2,0,0,0,0|1,1,0]=4 4206 B13R1.342 C[C@@H](O)CNCC(=O)n1cccn1 40ae7dd49f1806f66312385ad3089966 [0,2,0,0,0,0|2,0,0]=4 4207 B13R1.342 C[C@@H](O)CNCC(O)c1ccco1 85678310013a451138b308112873e2dd [0,2,0,0,0,0|0,0,2]=4 4208 B13R1.342 C[C@H](F)COCC(=O)c1ccco1 bc3732f90ff60f249c0e5c1f4cf0c6b5 [0,2,0,0,0,0|0,0,0]=2 4209 B13R1.342 C[C@H](F)COCC(=O)c1cccs1 7f4ce59d0217a2c47bd859127e24222c [0,2,0,0,0,0|0,1,0]=3 4210 B13R1.342 C[C@H](F)COCC(=O)c1ccsc1 d5a7fd43c58373a93897b026b12ae194 [0,2,0,0,0,0|2,0,0]=4 4211 B13R1.342 C[C@H](F)COCC(=O)c1cocn1 b8baf406f5bca5f8c3c767078b0aa059 [0,2,0,0,0,0|2,0,0]=4 4212 B13R1.342 C[C@H](F)COCC(=O)c1ncco1 3372485e789ee14e76dba32ea02c2618 [0,2,0,0,0,0|1,0,0]=3 4213 B13R1.342 C[C@H](F)COCC(=O)c1nccs1 7dffc63b3b1b869e02f696359cafb45b [0,2,0,0,0,0|1,1,0]=4 4214 B13R1.342 C[C@H](F)COCC(=O)n1cccn1 77ba42e4c2bdbf73dfb9057138156d8f [0,2,0,0,0,0|2,0,0]=4 4215 B13R1.342 C[C@H](O)CCNC(=O)c1ccco1 7efd01f455eae3822a68d411f46a03c5 [0,2,0,0,0,0|0,0,0]=2 4216 B13R1.342 C[C@H](O)CCNC(=O)c1cccs1 84adb326ebea70973a05c20328ade1a9 [0,2,0,0,0,0|0,1,0]=3 4217 B13R1.342 C[C@H](O)CCNC(=O)c1ccno1 b2d23ddeb1f60145b31a3c0f8f2ce895 [0,2,0,0,0,0|1,0,0]=3 4218 B13R1.342 C[C@H](O)CCNC(=O)c1ccns1 b7225a379f37a199cceac77441220102 [0,2,0,0,0,0|1,1,0]=4 4219 B13R1.342 C[C@H](O)CCNC(=O)c1ccoc1 a11ade3e6af675a36d3345be4c9dd657 [0,2,0,0,0,0|2,0,0]=4 4220 B13R1.342 C[C@H](O)CCNC(=O)c1ccon1 b3828512c77d641874510d0071895e26 [0,2,0,0,0,0|2,0,0]=4 4221 B13R1.342 C[C@H](O)CCNC(=O)c1ccsc1 d13fb2e11173f2bcb2b254bfc3fb2611 [0,2,0,0,0,0|2,0,0]=4 4222 B13R1.342 C[C@H](O)CCNC(=O)c1ccsn1 663971427a9db6954f887b33544f8420 [0,2,0,0,0,0|2,0,0]=4 4223 B13R1.342 C[C@H](O)CCNC(=O)c1cnco1 21da5d4357851a4ebecb1abd6edfae13 [0,2,0,0,0,0|1,0,0]=3 4224 B13R1.342 C[C@H](O)CCNC(=O)c1cncs1 0dbbe0eb88274e7054c49d3cb0f0b80f [0,2,0,0,0,0|1,1,0]=4 4225 B13R1.342 C[C@H](O)CCNC(=O)c1cocn1 a8ffcb862b37145db3ddf59c326a02a5 [0,2,0,0,0,0|2,0,0]=4 4226 B13R1.342 C[C@H](O)CCNC(=O)c1cscn1 9e11f72633ef17a6e4a02fba81623f97 [0,2,0,0,0,0|2,0,0]=4 4227 B13R1.342 C[C@H](O)CCNC(=O)c1ncco1 ea474846bbf148ea4638af185625e155 [0,2,0,0,0,0|1,0,0]=3 4228 B13R1.342 C[C@H](O)CCNC(=O)c1nccs1 1db88e01195ac6ec1f9311627a7dfff2 [0,2,0,0,0,0|1,1,0]=4 4229 B13R1.342 C[C@H](O)CCNC(=O)c1nnco1 4267fc20fd572343b3ec58520073244a [0,2,0,0,0,0|2,0,0]=4 4230 B13R1.342 C[C@H](O)CNCC(=O)c1ccco1 8f6021be57bc7bccbf7a1efb6dc7f8a7 [0,2,0,0,0,0|0,0,0]=2 4231 B13R1.342 C[C@H](O)CNCC(=O)c1cccs1 189228a3182b5a3757878ff9487c3cd9 [0,2,0,0,0,0|0,1,0]=3 4232 B13R1.342 C[C@H](O)CNCC(=O)c1ccsc1 a779e23b6ebef608d32cb96a27f0a566 [0,2,0,0,0,0|2,0,0]=4 4233 B13R1.342 C[C@H](O)CNCC(=O)c1cocn1 1dc24d2df6212154a905294fd4bd726e [0,2,0,0,0,0|2,0,0]=4 4234 B13R1.342 C[C@H](O)CNCC(=O)c1ncco1 471599afde284fb5da31ae7a3d7b39fe [0,2,0,0,0,0|1,0,0]=3 4235 B13R1.342 C[C@H](O)CNCC(=O)c1nccs1 f47622bbbfc64660e46e59af6c65266c [0,2,0,0,0,0|1,1,0]=4 4236 B13R1.342 C[C@H](O)CNCC(=O)n1cccn1 53c62193054242b1f63cdc2bf1df4cad [0,2,0,0,0,0|2,0,0]=4 4237 B13R1.342 C[C@H](O)CNCC(O)c1ccco1 47936daae997405f66a55616dba269a2 [0,2,0,0,0,0|0,0,2]=4 4238 B13R1.342 NC(=O)CCNC(=O)c1ccco1 8667e23d3512fdfc9fdfbd11419250e2 [0,2,0,0,0,0|1,0,1]=4 4239 B13R1.342 NC(=O)CNCC(=O)c1ccco1 36c1273b286b6b05afd5ce6fec3457e0 [0,2,0,0,0,0|1,0,1]=4 4240 B13R1.342 NC(=O)COCC(=O)c1ccco1 9cb889d428b305becafc56c2b03efa27 [0,2,0,0,0,0|1,0,1]=4 4241 B13R1.342 NC(=S)CCNC(=O)c1ccco1 019aa6748d5b5ff373e32719742018c6 [0,2,0,0,0,0|1,0,1]=4 4242 B13R1.342 NC(=S)COCC(=O)c1ccco1 b74b92fea0bba779696af173239d6eee [0,2,0,0,0,0|1,0,1]=4 4243 B13R1.342 O=C(CNCC(F)F)c1ccc[nH]1 aae71e3e894176892742569b30445780 [0,2,0,0,0,0|2,0,0]=4 4244 B13R1.342 O=C(CNCC(F)F)c1ccco1 d3bfdd2f2f8eca7eabcef5cd519b4670 [0,2,0,0,0,0|1,0,0]=3 4245 B13R1.342 O=C(CNCC(F)F)c1cccs1 cbadbe14bc5a82c614a15909c700c932 [0,2,0,0,0,0|1,1,0]=4 4246 B13R1.342 O=C(CNCC(F)F)c1ncco1 862a6638df662e63500e9a645a36ebf6 [0,2,0,0,0,0|2,0,0]=4 4247 B13R1.342 O=C(COCC(F)F)c1ccco1 16a62d6ab9e4ea1dd1c18c16b69b47ef [0,2,0,0,0,0|1,0,0]=3 4248 B13R1.342 O=C(COCC(F)F)c1cccs1 22d9fdc424c200abfc4787f143d093b0 [0,2,0,0,0,0|1,1,0]=4 4249 B13R1.342 O=C(COCC(F)F)c1ncco1 73806c3f3d79df346f53ffc13b74dece [0,2,0,0,0,0|2,0,0]=4 4250 B13R1.342 O=C(COCS(=O)O)c1ccco1 88882f1bd9e8fb34f8ff5fd44610e56e [0,2,0,0,0,0|2,0,0]=4 4251 B13R1.342 O=C(COC[N+](=O)[O-])c1ccco1 204720673f908797162a7af5355144d4 [0,2,0,0,0,0|2,0,0]=4 4252 B13R1.342 O=C(NCCC(F)F)c1ccco1 d78f3a334e704c3f9c370ed1239b8803 [0,2,0,0,0,0|1,0,0]=3 4253 B13R1.342 O=C(NCCC(F)F)c1cccs1 6b3d3903b8edfdb3114c88b2a151b13f [0,2,0,0,0,0|1,1,0]=4 4254 B13R1.342 O=C(NCCC(F)F)c1ccno1 50d04f353c4336a3060f2d4ccbc87e22 [0,2,0,0,0,0|2,0,0]=4 4255 B13R1.342 O=C(NCCC(F)F)c1cnco1 2f38b16ccdd7c6c61e3eff9720980fab [0,2,0,0,0,0|2,0,0]=4 4256 B13R1.342 O=C(NCCC(F)F)c1ncco1 4ce6cd0f2084085a87ac8ba9c47bab19 [0,2,0,0,0,0|2,0,0]=4 4257 B13R1.342 O=C(NCCS(=O)O)c1ccco1 5e17c1f9ae8cf6ea5499c916b41db00e [0,2,0,0,0,0|2,0,0]=4 4258 B13R1.342 O=C(O)CNCC(=O)c1ccco1 1af5ccb17b12e50db2b80ed2f43b25c8 [0,2,0,0,0,0|1,0,1]=4 4259 B13R1.342 O=C(O)COCC(=O)c1ccco1 4d9bec38486a734c7d1548960173e4ef [0,2,0,0,0,0|1,0,1]=4 4260 B13R1.725 C#CCCNC(=O)c1occc1Br 6a91a3174d03cb815f3321257b691892 [0,2,0,0,0,0|0,0,2]=4 4261 B13R1.725 C#CCCNC(=O)c1occc1C c5033dd99385ed741337b780d5d2fcc6 [0,2,0,0,0,0|0,0,2]=4 4262 B13R1.725 C=CCCNC(=O)c1occc1Br b6929091c9c6d2eae1a2faac31eb25aa [0,2,0,0,0,0|0,0,2]=4 4263 B13R1.725 C=CCCNC(=O)c1occc1C af4339b22cce8bd772279b31fb02c0ff [0,2,0,0,0,0|0,0,2]=4 4264 B13R1.725 CC#CCNC(=O)c1occc1Br 804a9aa74d2bc1e6bf1521f1a75af9a5 [0,2,0,0,0,0|0,0,2]=4 4265 B13R1.725 CC#CCNC(=O)c1occc1C 77e3e59efe453376891f1c05ebc4da71 [0,2,0,0,0,0|0,0,2]=4 4266 B13R1.725 CC=CCNC(=O)c1occc1Br c19514c340b2cc5bd58e9e93ecf07821 [0,2,0,0,0,0|0,0,2]=4 4267 B13R1.725 CC=CCNC(=O)c1occc1C 388d66d7c23a5d704f91077675358b6a [0,2,0,0,0,0|0,0,2]=4 4268 B13R1.725 CCCCNC(=O)c1cccn1C 8b0cd4d6f4f295d2491b847a00d6cb23 [0,2,0,0,0,0|1,0,0]=3 4269 B13R1.725 CCCCNC(=O)c1ccnn1C 08eda236623ad9f343ea719b7e7a6951 [0,2,0,0,0,0|2,0,0]=4 4270 B13R1.725 CCCCNC(=O)c1ccoc1Br 6b1577345a2d7d8d9aa9fd1e52a21a56 [0,2,0,0,0,0|2,0,0]=4 4271 B13R1.725 CCCCNC(=O)c1ccoc1C a6d7153f29b4c5da75ee29655234781d [0,2,0,0,0,0|2,0,0]=4 4272 B13R1.725 CCCCNC(=O)c1ccoc1Cl fcc7ee8b76655a79760c0616ecd41a14 [0,2,0,0,0,0|2,0,0]=4 4273 B13R1.725 CCCCNC(=O)c1ccoc1I 50c4c41f8d8ac6236a8a28e79eb0ed83 [0,2,0,0,0,0|2,0,0]=4 4274 B13R1.725 CCCCNC(=O)c1ccsc1Br 8979480d7ea1886692953aecdc07250d [0,2,0,0,0,0|2,0,0]=4 4275 B13R1.725 CCCCNC(=O)c1ccsc1C a0b9272fcd2a9e897d2f7ab34fdf3102 [0,2,0,0,0,0|2,0,0]=4 4276 B13R1.725 CCCCNC(=O)c1ccsc1Cl 10446e0dd162a13e05b839dbc1d0d935 [0,2,0,0,0,0|2,0,0]=4 4277 B13R1.725 CCCCNC(=O)c1ccsc1F d9a973d7b3c269470aaa311efb0273de [0,2,0,0,0,0|2,0,0]=4 4278 B13R1.725 CCCCNC(=O)c1ccsc1I f4955d69cce7b8951cfe4f7d019a247a [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.725 CCCCNC(=O)c1cncn1C bc029e07cf05b4c4237dfed0b6a2fe39 [0,2,0,0,0,0|2,0,0]=4 4280 B13R1.725 CCCCNC(=O)c1cocc1Br a131b52a31adfc6b7cc943f524ec1d03 [0,2,0,0,0,0|2,0,0]=4 4281 B13R1.725 CCCCNC(=O)c1cocc1C 59201e5c633deffdc27cb5f6fd0a3a45 [0,2,0,0,0,0|2,0,0]=4 4282 B13R1.725 CCCCNC(=O)c1cscc1Br c8cf69ce460599c349409c4dc54fe47b [0,2,0,0,0,0|2,0,0]=4 4283 B13R1.725 CCCCNC(=O)c1cscc1C 861459fb0270e74757bf5de9999f20f4 [0,2,0,0,0,0|2,0,0]=4 4284 B13R1.725 CCCCNC(=O)c1cscc1Cl 6e3e30ad9368f22c85a67ef13d31089d [0,2,0,0,0,0|2,0,0]=4 4285 B13R1.725 CCCCNC(=O)c1nccn1C 371c55175439bd81505607fc23b10bee [0,2,0,0,0,0|2,0,0]=4 4286 B13R1.725 CCCCNC(=O)c1ncoc1C c9973f02f0139ca0c27f20988caefdfc [0,2,0,0,0,0|2,0,0]=4 4287 B13R1.725 CCCCNC(=O)c1ncsc1Br 341686e0b51f385de4c52ed667ca506c [0,2,0,0,0,0|2,0,0]=4 4288 B13R1.725 CCCCNC(=O)c1ncsc1C e41ee33801a12f871388bdd44d2d1a89 [0,2,0,0,0,0|2,0,0]=4 4289 B13R1.725 CCCCNC(=O)c1ncsc1Cl 88b05bface1318eac7f305701ffa2ae8 [0,2,0,0,0,0|2,0,0]=4 4290 B13R1.725 CCCCNC(=O)c1nocc1Br 746682505a1798bb328bad0a0f898aff [0,2,0,0,0,0|2,0,0]=4 4291 B13R1.725 CCCCNC(=O)c1nocc1C 2cb4aeb782e702d65b84e3d6bfefd22e [0,2,0,0,0,0|2,0,0]=4 4292 B13R1.725 CCCCNC(=O)c1nscc1Br 4aed1024d63a0a0effcc2e50091d12e9 [0,2,0,0,0,0|2,0,0]=4 4293 B13R1.725 CCCCNC(=O)c1occc1Br 2d61e69ea09ff8e67eaa2281ae19d55d [0,2,0,0,0,0|0,0,0]=2 4294 B13R1.725 CCCCNC(=O)c1occc1C 050d7689f5b06debf3424e8221cd098a [0,2,0,0,0,0|0,0,0]=2 4295 B13R1.725 CCCCNC(=O)c1ocnc1Br 95d080c7c5c7f352dd1b810465cf0103 [0,2,0,0,0,0|1,0,0]=3 4296 B13R1.725 CCCCNC(=O)c1ocnc1C b4e5ebf9aa8e45712fc4e7284e582071 [0,2,0,0,0,0|1,0,0]=3 4297 B13R1.725 CCCCNC(=O)c1oncc1C 28277dc0d6cb434720103a0b9fac3631 [0,2,0,0,0,0|1,0,0]=3 4298 B13R1.725 CCCCNC(=O)c1sccc1Br aa49e233fb201417793e6f329d3add23 [0,2,0,0,0,0|0,1,0]=3 4299 B13R1.725 CCCCNC(=O)c1sccc1C d1bdb8f58225697fac2c2239e5f53b7b [0,2,0,0,0,0|0,1,0]=3 4300 B13R1.725 CCCCNC(=O)c1sccc1Cl fa93f451ee3843072bbfa1f343306920 [0,2,0,0,0,0|0,1,0]=3 4301 B13R1.725 CCCCNC(=O)c1sccc1F 7e3e648333e99b48f0c2a258af786657 [0,2,0,0,0,0|0,1,0]=3 4302 B13R1.725 CCCCNC(=O)c1sccc1I dcb461452d262ec75b950bddf7683d89 [0,2,0,0,0,0|0,1,0]=3 4303 B13R1.725 CCCCNC(=O)c1sccc1O aa0021572c3a0b51666c4bf833e5dadf [0,2,0,0,0,0|0,1,0]=3 4304 B13R1.725 CCCCNC(=O)c1sccc1S bdf24daf5c51ec6a9151d50e05e0a168 [0,2,0,0,0,0|0,1,0]=3 4305 B13R1.725 CCCCNC(=O)c1scnc1Br e3e27b4f11ce05b2f9a89ba9f7c81c9d [0,2,0,0,0,0|1,1,0]=4 4306 B13R1.725 CCCCNC(=O)c1scnc1C 92aa10ed75f1b9835b98cbb530fbad94 [0,2,0,0,0,0|1,1,0]=4 4307 B13R1.725 CCCCNC(=O)c1scnc1Cl f386739dc6927c660e01f43e3adba984 [0,2,0,0,0,0|1,1,0]=4 4308 B13R1.725 CCCCNC(=O)c1sncc1Br a4164e0a9bcfebd2c9ca773aea218b57 [0,2,0,0,0,0|1,1,0]=4 4309 B13R1.725 CCCCNC(=O)c1sncc1C 9ae49b2dac9bc2fffc48750f62525d12 [0,2,0,0,0,0|1,1,0]=4 4310 B13R1.725 CCCCNC(=O)c1sncc1Cl f12508cf909ea32869a998141668b05e [0,2,0,0,0,0|1,1,0]=4 4311 B13R1.725 CCCNCC(=O)c1ccnn1C eaa9115b3d8ef31fea8c02edf7d701a5 [0,2,0,0,0,0|2,0,0]=4 4312 B13R1.725 CCCNCC(=O)c1ccsc1C 554637b377d13fe158bafc40e78133b8 [0,2,0,0,0,0|2,0,0]=4 4313 B13R1.725 CCCNCC(=O)c1nccn1C a3e2ef541eada0df7abb3efa35d8ad5b [0,2,0,0,0,0|2,0,0]=4 4314 B13R1.725 CCCNCC(=O)c1sccc1Cl 252a19dbe7f108867da7b229cef69262 [0,2,0,0,0,0|0,1,0]=3 4315 B13R1.725 CCCOCC(=O)c1ccnn1C e9da17e26fd67832b724ae77a2d96443 [0,2,0,0,0,0|2,0,0]=4 4316 B13R1.725 CCCOCC(=O)c1ccsc1C 948a69ba19f873e0a779222c503dfa5d [0,2,0,0,0,0|2,0,0]=4 4317 B13R1.725 CCCOCC(=O)c1nccn1C 72faf7d4d59935051052852dcc60dde7 [0,2,0,0,0,0|2,0,0]=4 4318 B13R1.725 CCCOCC(=O)c1sccc1Cl 79ed8b323747e4b4e8d2c21b191fc1fd [0,2,0,0,0,0|0,1,0]=3 4319 B13R1.725 COCCNC(=O)c1cccn1C bcf173843212c63f98b7a54712e04878 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.725 COCCNC(=O)c1occc1Br f63301812df1f4523ed5a1035d027ecc [0,2,0,0,0,0|1,0,0]=3 4321 B13R1.725 COCCNC(=O)c1occc1C e6d4c4555a14c6fdda7ab0fbdfd77960 [0,2,0,0,0,0|1,0,0]=3 4322 B13R1.725 COCCNC(=O)c1ocnc1Br a093588875f3e1268e717a2e422de8d2 [0,2,0,0,0,0|2,0,0]=4 4323 B13R1.725 COCCNC(=O)c1ocnc1C 687dd29565961612048455c44a11d512 [0,2,0,0,0,0|2,0,0]=4 4324 B13R1.725 COCCNC(=O)c1oncc1C 492afbecbba56881f4212392aec97f56 [0,2,0,0,0,0|2,0,0]=4 4325 B13R1.725 COCCNC(=O)c1sccc1Br b41bde4d2a0b948c07e7d489aa162b06 [0,2,0,0,0,0|1,1,0]=4 4326 B13R1.725 COCCNC(=O)c1sccc1C 9fd25110432ba06ef407475694df7b22 [0,2,0,0,0,0|1,1,0]=4 4327 B13R1.725 COCCNC(=O)c1sccc1Cl 123bd8aedc96bf4407b7b609d4100aec [0,2,0,0,0,0|1,1,0]=4 4328 B13R1.725 COCCNC(=O)c1sccc1F 13aabc83b22925c00d3f7b2efccc4958 [0,2,0,0,0,0|1,1,0]=4 4329 B13R1.725 COCCNC(=O)c1sccc1I dc85bce34c5828efe307b9b146975507 [0,2,0,0,0,0|1,1,0]=4 4330 B13R1.725 COCCNC(=O)c1sccc1O d4bb63c726ff19322a4e625b03bf0d92 [0,2,0,0,0,0|1,1,0]=4 4331 B13R1.725 COCCNC(=O)c1sccc1S 63191bba54b9d6afb3c28d9d7678604e [0,2,0,0,0,0|1,1,0]=4 4332 B13R1.725 COCOCC(=O)c1sccc1Br 25128411f7ad44feb730b4dee988891e [0,2,0,0,0,0|1,1,0]=4 4333 B13R1.725 COCOCC(=O)c1sccc1Cl 6e830745ff03298c05e0a285229ff5b9 [0,2,0,0,0,0|1,1,0]=4 4334 B13R1.725 CSCCNC(=O)c1cccn1C 2e7afccba31035f17213996208eb6bf1 [0,2,0,0,0,0|2,0,0]=4 4335 B13R1.725 CSCCNC(=O)c1occc1Br fb194cf1a365aca82a12f17e505d6adb [0,2,0,0,0,0|1,0,0]=3 4336 B13R1.725 CSCCNC(=O)c1occc1C db1f8f7f7f4421f279decf9956ba69c2 [0,2,0,0,0,0|1,0,0]=3 4337 B13R1.725 CSCCNC(=O)c1ocnc1Br 567ee63c5c56cc56e76bb5d45ea72021 [0,2,0,0,0,0|2,0,0]=4 4338 B13R1.725 CSCCNC(=O)c1ocnc1C a5a014a0607e20524959aaf10ad4438a [0,2,0,0,0,0|2,0,0]=4 4339 B13R1.725 CSCCNC(=O)c1oncc1C 5b082778f5bf5e4ad0e3be9614d44fc3 [0,2,0,0,0,0|2,0,0]=4 4340 B13R1.725 CSCCNC(=O)c1sccc1Br 1689649911b714bb40db045b274dc904 [0,2,0,0,0,0|1,1,0]=4 4341 B13R1.725 CSCCNC(=O)c1sccc1C 34453676936485d98d2280dce496f83d [0,2,0,0,0,0|1,1,0]=4 4342 B13R1.725 CSCCNC(=O)c1sccc1Cl 2273d69f205a86f881f7c7e8c5929b23 [0,2,0,0,0,0|1,1,0]=4 4343 B13R1.725 CSCCNC(=O)c1sccc1F 3d57363d92b9e1bd85737b1cb7e06955 [0,2,0,0,0,0|1,1,0]=4 4344 B13R1.725 CSCCNC(=O)c1sccc1I 7a53b440d7c0ed482e3171e5910c1487 [0,2,0,0,0,0|1,1,0]=4 4345 B13R1.725 CSCCNC(=O)c1sccc1O 443f0cb218735aaba6d482b6ea165200 [0,2,0,0,0,0|1,1,0]=4 4346 B13R1.725 CSCCNC(=O)c1sccc1S 4e2e0e6e242be14af536140e48d7637a [0,2,0,0,0,0|1,1,0]=4 4347 B13R1.725 Cc1ccoc1C(=O)NCCC#N f3e069d1d9dab52986f7009b4885be9a [0,2,0,0,0,0|1,0,1]=4 4348 B13R1.725 Cc1ccoc1C(=O)NCCCCl 59bbe0acd1609117151557e90d8336b3 [0,2,0,0,0,0|1,0,0]=3 4349 B13R1.725 Cc1ccoc1C(=O)NCCCO cbefc1ef50f21ed89b7de2e554ba161b [0,2,0,0,0,0|1,0,0]=3 4350 B13R1.725 Cc1ccoc1C(=O)NCCON 0e456ae5e4b0b4e7d9aaaa37b3bd8f24 [0,2,0,0,0,0|2,0,0]=4 4351 B13R1.725 Cc1ccsc1C(=O)NCCCCl 370b05d047d293ee44c953721a99638b [0,2,0,0,0,0|1,1,0]=4 4352 B13R1.725 Cc1ccsc1C(=O)NCCCO b5c9e0517754e484acd27a131122d026 [0,2,0,0,0,0|1,1,0]=4 4353 B13R1.725 Cc1cnoc1C(=O)NCCCCl 4676342231fba501003f11364af036c3 [0,2,0,0,0,0|2,0,0]=4 4354 B13R1.725 Cc1cnoc1C(=O)NCCCO 4a5b5bd4c4c12da90b461d39df4d0032 [0,2,0,0,0,0|2,0,0]=4 4355 B13R1.725 Cc1ncoc1C(=O)NCCCCl 1c2fc204a468b053a6db218ca17a5107 [0,2,0,0,0,0|2,0,0]=4 4356 B13R1.725 Cc1ncoc1C(=O)NCCCO dc05029fb3f6eba0bd2418d2c9ec3cb0 [0,2,0,0,0,0|2,0,0]=4 4357 B13R1.725 Cn1cccc1C(=O)NCCCCl 7955a09607954f663d18a34d67904746 [0,2,0,0,0,0|2,0,0]=4 4358 B13R1.725 Cn1cccc1C(=O)NCCCO 31201e128d7e5fade25cf051ba621db6 [0,2,0,0,0,0|2,0,0]=4 4359 B13R1.725 N#CCCNC(=O)c1occc1Br 4a817bc2e8999b0b31aca7a78bfca7bb [0,2,0,0,0,0|1,0,1]=4 4360 B13R1.725 NOCCNC(=O)c1occc1Br a479b83ef2ae6caea196d08b8ada69eb [0,2,0,0,0,0|2,0,0]=4 4361 B13R1.725 O=C(CNCCBr)c1sccc1Cl de6c94d70a6de741263a7d9db51ad918 [0,2,0,0,0,0|1,1,0]=4 4362 B13R1.725 O=C(CNCCF)c1sccc1Cl e571a19321b3b3227107ba55e4904569 [0,2,0,0,0,0|1,1,0]=4 4363 B13R1.725 O=C(CNCCI)c1sccc1Br 03e3b876d73c5ed350e209775023acec [0,2,0,0,0,0|1,1,0]=4 4364 B13R1.725 O=C(CNCCI)c1sccc1Cl 916469999f57d4489b1a660d6d21ce9a [0,2,0,0,0,0|1,1,0]=4 4365 B13R1.725 O=C(CNCCO)c1sccc1Br b1b89b271c57593ac500eabceb49afd7 [0,2,0,0,0,0|1,1,0]=4 4366 B13R1.725 O=C(CNCCO)c1sccc1Cl b389cfcd09bfe6edb91119e28407e2c0 [0,2,0,0,0,0|1,1,0]=4 4367 B13R1.725 O=C(CNCCS)c1sccc1Br 24ba51a8b6a50e8e1c10284f07c9dbfe [0,2,0,0,0,0|1,1,0]=4 4368 B13R1.725 O=C(CNCCS)c1sccc1Cl f55ddba958821f0511b502f510289adc [0,2,0,0,0,0|1,1,0]=4 4369 B13R1.725 O=C(COCCF)c1sccc1Cl c7295fb7be58090ab75ca14d178f58de [0,2,0,0,0,0|1,1,0]=4 4370 B13R1.725 O=C(COCCS)c1sccc1Br bd398109758133440f12825cfa9abfd5 [0,2,0,0,0,0|1,1,0]=4 4371 B13R1.725 O=C(COCCS)c1sccc1Cl 67f845e8abb2b47a7005c08989f073c6 [0,2,0,0,0,0|1,1,0]=4 4372 B13R1.725 O=C(NCCCCl)c1occc1Br 8b6e489842ac63a8edf9a7691f150950 [0,2,0,0,0,0|1,0,0]=3 4373 B13R1.725 O=C(NCCCCl)c1ocnc1Br 49e7b51093fe23f0bb8949d84565995d [0,2,0,0,0,0|2,0,0]=4 4374 B13R1.725 O=C(NCCCCl)c1sccc1Br 50b90d8292c6c84ed6e9f02ea1a60b2b [0,2,0,0,0,0|1,1,0]=4 4375 B13R1.725 O=C(NCCCCl)c1sccc1Cl 3800c893ac38f27a5578a093f3aabdc6 [0,2,0,0,0,0|1,1,0]=4 4376 B13R1.725 O=C(NCCCCl)c1sccc1F 318991c0ce8e8588b8a2bb7cb1c4c803 [0,2,0,0,0,0|1,1,0]=4 4377 B13R1.725 O=C(NCCCCl)c1sccc1I a08b7b44a55140eaf7fa0fa60f3137f2 [0,2,0,0,0,0|1,1,0]=4 4378 B13R1.725 O=C(NCCCCl)c1sccc1O a19f7f36fa3ba8b38a1832304ffa2e9c [0,2,0,0,0,0|1,1,0]=4 4379 B13R1.725 O=C(NCCCCl)c1sccc1S 9a04542e38db978c51c2694462eff6af [0,2,0,0,0,0|1,1,0]=4 4380 B13R1.725 O=C(NCCCO)c1occc1Br e8c67f66c5faf20bd1de08d98d443136 [0,2,0,0,0,0|1,0,0]=3 4381 B13R1.725 O=C(NCCCO)c1ocnc1Br 1b4c7d8c8fa5cc7b33e10fe4d141b4a6 [0,2,0,0,0,0|2,0,0]=4 4382 B13R1.725 O=C(NCCCO)c1sccc1Br 9794bf93150bae8488e1375eb880a0a3 [0,2,0,0,0,0|1,1,0]=4 4383 B13R1.725 O=C(NCCCO)c1sccc1Cl 6b006bb917a44f03d5bd34a03160109c [0,2,0,0,0,0|1,1,0]=4 4384 B13R1.725 O=C(NCCCO)c1sccc1F f03bf65d2a1483b99bd21fbd1f2e11a3 [0,2,0,0,0,0|1,1,0]=4 4385 B13R1.725 O=C(NCCCO)c1sccc1I 453cac9769f33235cff6de59ffffe6eb [0,2,0,0,0,0|1,1,0]=4 4386 B13R1.725 O=C(NCCCO)c1sccc1O bcebc420bcf7c579f68bc3f5047bf9e6 [0,2,0,0,0,0|1,1,0]=4 4387 B13R1.725 O=C(NCCCO)c1sccc1S 78e6981243e7ca9286906acb26a9b478 [0,2,0,0,0,0|1,1,0]=4 4388 B13R1.172 CCCNC(C(=O)O)c1ccco1 7264cf4de27efe6935c2c4b99eea4dd1 [0,2,0,0,0,0|1,0,1]=4 4389 B13R1.168 C=C(C)CNC(=O)c1occc1Br 5f7cca3de5217b3f0e18d3f0288ec5e9 [0,2,0,0,0,0|1,0,1]=4 4390 B13R1.168 C=C(C)CNC(=O)c1occc1C 335acad21d09faaae4e925ada25daf7c [0,2,0,0,0,0|1,0,1]=4 4391 B13R1.168 CC(=O)CNC(=O)c1occc1Br fcfbb3b2c85c6c8759ed5962ff8664ad [0,2,0,0,0,0|1,0,1]=4 4392 B13R1.168 CC(=O)CNC(=O)c1occc1C 8cdda9d9d63a19130c9fdb89a934cd87 [0,2,0,0,0,0|1,0,1]=4 4393 B13R1.168 CC(C)CNC(=O)c1cccn1C f14e3b421bb9cd8774c2d04e3ec3bc02 [0,2,0,0,0,0|2,0,0]=4 4394 B13R1.168 CC(C)CNC(=O)c1occc1Br 809c8229fd6e90d1e0d86cfa33fb5fdb [0,2,0,0,0,0|1,0,0]=3 4395 B13R1.168 CC(C)CNC(=O)c1ocnc1Br ba52b7153e56aea8bcdd2b9e58d4adc2 [0,2,0,0,0,0|2,0,0]=4 4396 B13R1.168 CC(C)CNC(=O)c1sccc1Br 75ba486855aeb5f7633baff9ef21afa8 [0,2,0,0,0,0|1,1,0]=4 4397 B13R1.168 CC(C)CNC(=O)c1sccc1Cl 1fd65843e88f92bacf3983ac4afd4d77 [0,2,0,0,0,0|1,1,0]=4 4398 B13R1.168 CC(C)CNC(=O)c1sccc1F 53be7b2cb6dc7be6cb39f7f81d5bb23b [0,2,0,0,0,0|1,1,0]=4 4399 B13R1.168 CC(C)CNC(=O)c1sccc1I eeeaa95a088b6c955780127021632710 [0,2,0,0,0,0|1,1,0]=4 4400 B13R1.168 CC(C)CNC(=O)c1sccc1O ebfe9790f36d5ad6f537248fd323f529 [0,2,0,0,0,0|1,1,0]=4 4401 B13R1.168 CC(C)CNC(=O)c1sccc1S 0046e352b28ad17b27eb1fb347425ee8 [0,2,0,0,0,0|1,1,0]=4 4402 B13R1.168 CC(C)OCC(=O)c1sccc1Cl 6c92a763cc7bf5163900de3da9c9bb22 [0,2,0,0,0,0|1,1,0]=4 4403 B13R1.168 CC(O)CNC(=O)c1cccn1C e3b8d9e2a28e5abf55bf296edf8a453a [0,2,0,0,0,0|2,0,0]=4 4404 B13R1.168 CC(O)CNC(=O)c1occc1Br e22c63d5b7d878dc968eb6d6786b8309 [0,2,0,0,0,0|1,0,0]=3 4405 B13R1.168 CC(O)CNC(=O)c1ocnc1Br 2736072b405368dede256baf4f8c8223 [0,2,0,0,0,0|2,0,0]=4 4406 B13R1.168 CC(O)CNC(=O)c1sccc1Br e170b79608a3b85a08fcb69e92dc18bc [0,2,0,0,0,0|1,1,0]=4 4407 B13R1.168 CC(O)CNC(=O)c1sccc1Cl ba9743bfdb30fde1aac0c14a544ce08c [0,2,0,0,0,0|1,1,0]=4 4408 B13R1.168 CC(O)CNC(=O)c1sccc1F f4ee0e3afe3eb4526c9e316bc521b797 [0,2,0,0,0,0|1,1,0]=4 4409 B13R1.168 CC(O)CNC(=O)c1sccc1I 16239a6846c4d9bddd557008d23b6949 [0,2,0,0,0,0|1,1,0]=4 4410 B13R1.168 CC(O)CNC(=O)c1sccc1O 5251ae282d866370e24a159296813109 [0,2,0,0,0,0|1,1,0]=4 4411 B13R1.168 CC(O)CNC(=O)c1sccc1S ced12e2d61b7e2831ed1eca7ee4bcc95 [0,2,0,0,0,0|1,1,0]=4 4412 B13R1.168 C[C@@H](O)CNC(=O)c1cccn1C ef1596a96e4a2c7a805a222cb951210c [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.168 C[C@@H](O)CNC(=O)c1occc1Br 11189bef14db5b944c11fb94dbbe5e75 [0,2,0,0,0,0|1,0,0]=3 4414 B13R1.168 C[C@@H](O)CNC(=O)c1ocnc1Br e08e66e56185ecfe7004e2bdbcf5494f [0,2,0,0,0,0|2,0,0]=4 4415 B13R1.168 C[C@@H](O)CNC(=O)c1sccc1Br 4321bbbe122e6127d47c31fcbe835b0f [0,2,0,0,0,0|1,1,0]=4 4416 B13R1.168 C[C@@H](O)CNC(=O)c1sccc1Cl 33fb148f5f0f87a4c97a352ed3d17d38 [0,2,0,0,0,0|1,1,0]=4 4417 B13R1.168 C[C@@H](O)CNC(=O)c1sccc1F 3b2dd87987a1a0cd93696c33b4498cb8 [0,2,0,0,0,0|1,1,0]=4 4418 B13R1.168 C[C@@H](O)CNC(=O)c1sccc1I b58bf43b921efc2ad586ec76c02a8961 [0,2,0,0,0,0|1,1,0]=4 4419 B13R1.168 C[C@@H](O)CNC(=O)c1sccc1O 6c15503b5d33f8d4547d3c460025a150 [0,2,0,0,0,0|1,1,0]=4 4420 B13R1.168 C[C@@H](O)CNC(=O)c1sccc1S d2b301bec296c92023f1e77d2fbfc9b0 [0,2,0,0,0,0|1,1,0]=4 4421 B13R1.168 C[C@H](O)CNC(=O)c1cccn1C e3ea4e0a6d0967eb5c7d2460ca33de35 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.168 C[C@H](O)CNC(=O)c1occc1Br 93c53b08fad15ec49465cc6337b789aa [0,2,0,0,0,0|1,0,0]=3 4423 B13R1.168 C[C@H](O)CNC(=O)c1ocnc1Br cc33d337dcfd55873bdc50d240a82d33 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.168 C[C@H](O)CNC(=O)c1sccc1Br 3cc61a2c6891c57e4b2395ce5349509a [0,2,0,0,0,0|1,1,0]=4 4425 B13R1.168 C[C@H](O)CNC(=O)c1sccc1Cl 7596875f4244111bc8f002e6d896a5eb [0,2,0,0,0,0|1,1,0]=4 4426 B13R1.168 C[C@H](O)CNC(=O)c1sccc1F d5a7b9ba8825188586e972d9959b553c [0,2,0,0,0,0|1,1,0]=4 4427 B13R1.168 C[C@H](O)CNC(=O)c1sccc1I 71adda721217cd78d010b1383ab99bf4 [0,2,0,0,0,0|1,1,0]=4 4428 B13R1.168 C[C@H](O)CNC(=O)c1sccc1O 70467609c2dcbcc622806e7f84311212 [0,2,0,0,0,0|1,1,0]=4 4429 B13R1.168 C[C@H](O)CNC(=O)c1sccc1S 52c732db992d28b0aef649a76b96dc7d [0,2,0,0,0,0|1,1,0]=4 4430 B13R1.168 Cc1ccoc1C(=O)NCC(C)C 8b12aa2c536b60bff82beb51943fdf65 [0,2,0,0,0,0|1,0,0]=3 4431 B13R1.168 Cc1ccoc1C(=O)NCC(C)O c5ab550c11461318ca35cb56d7c077c3 [0,2,0,0,0,0|1,0,0]=3 4432 B13R1.168 Cc1ccoc1C(=O)NCC(F)F cf9db779e59a2fa1a45276936bd37bfb [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.168 Cc1ccoc1C(=O)NC[C@@H](C)O c1ac9faa78d59e1961a070b323517d3a [0,2,0,0,0,0|1,0,0]=3 4434 B13R1.168 Cc1ccoc1C(=O)NC[C@H](C)O 312bf0ac185a546be4fc8664116f09ab [0,2,0,0,0,0|1,0,0]=3 4435 B13R1.168 Cc1ccsc1C(=O)NCC(C)C 88788a544ddd1b8619d338bed63a0065 [0,2,0,0,0,0|1,1,0]=4 4436 B13R1.168 Cc1ccsc1C(=O)NCC(C)O 9781000ada0a8a189e5260403c532157 [0,2,0,0,0,0|1,1,0]=4 4437 B13R1.168 Cc1ccsc1C(=O)NC[C@@H](C)O ea76b98f44310feb310ed4418e3f30dd [0,2,0,0,0,0|1,1,0]=4 4438 B13R1.168 Cc1ccsc1C(=O)NC[C@H](C)O d197d57427de1a05e5f67d34b7f72fe2 [0,2,0,0,0,0|1,1,0]=4 4439 B13R1.168 Cc1cnoc1C(=O)NCC(C)C cb87c68181ff8a597dd2bd97974a4597 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.168 Cc1cnoc1C(=O)NCC(C)O 11aac07f0668ac9958a1ecd53e211c85 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.168 Cc1cnoc1C(=O)NC[C@@H](C)O 4f059ca0190e8d3d1183bbcb32d086e1 [0,2,0,0,0,0|2,0,0]=4 4442 B13R1.168 Cc1cnoc1C(=O)NC[C@H](C)O e96b93a9b1d4b2746e60ebbbf5720bc3 [0,2,0,0,0,0|2,0,0]=4 4443 B13R1.168 Cc1ncoc1C(=O)NCC(C)C 6d676a3e0dfee78abd0435d73f94cd62 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.168 Cc1ncoc1C(=O)NCC(C)O 80dd692d60c6beaf9b495b248fd2f52e [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.168 Cc1ncoc1C(=O)NC[C@@H](C)O 73b17d4b4ec27060df44735002eb9d3b [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.168 Cc1ncoc1C(=O)NC[C@H](C)O 4d446bc5eb972fd7a16ae2bd343643c9 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.168 O=C(NCC(F)F)c1occc1Br 30b3ae6ca71291bf8111fa4338d544da [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.340 CC(C)CN(C)C(=O)c1ccco1 8335d1df564ebd1e9631741de6b8d728 [0,2,0,0,0,0|1,0,0]=3 4449 B13R1.340 CC(C)CN(C)C(=O)c1cccs1 3aba5a0601d17dd477e11ebb54ca08ed [0,2,0,0,0,0|1,1,0]=4 4450 B13R1.340 CC(C)CN(C)C(=O)c1ccno1 c7ed37b5b955f11e90ac01e6b77c82b4 [0,2,0,0,0,0|2,0,0]=4 4451 B13R1.340 CC(C)CN(C)C(=O)c1cnco1 8535e7cad12531e1eb2c0ae68366e81e [0,2,0,0,0,0|2,0,0]=4 4452 B13R1.340 CC(C)CN(C)C(=O)c1ncco1 bcc7ba1ee98a124fd72f413e03a1fb40 [0,2,0,0,0,0|2,0,0]=4 4453 B13R1.340 CC(O)CN(C)C(=O)c1ccco1 e2f65f268a30036c4eff7486af1fd564 [0,2,0,0,0,0|1,0,0]=3 4454 B13R1.340 CC(O)CN(C)C(=O)c1cccs1 325c367601e65c844bfbfb819fb947bd [0,2,0,0,0,0|1,1,0]=4 4455 B13R1.340 CC(O)CN(C)C(=O)c1ccno1 8cad692dd97a4fd4d025e72e061e8160 [0,2,0,0,0,0|2,0,0]=4 4456 B13R1.340 CC(O)CN(C)C(=O)c1cnco1 b3be60d38012c5eec2cd2cb4aa772e7d [0,2,0,0,0,0|2,0,0]=4 4457 B13R1.340 CC(O)CN(C)C(=O)c1ncco1 c483e00c857d6bffdc43255571d69008 [0,2,0,0,0,0|2,0,0]=4 4458 B13R1.340 CN(CC(F)F)C(=O)c1ccco1 42d6de5761435e20e12247232f36c23f [0,2,0,0,0,0|2,0,0]=4 4459 B13R1.340 C[C@H](O)CN(C)C(=O)c1ccco1 bfc6b507cd11109742eb762dc8cd91a0 [0,2,0,0,0,0|1,0,0]=3 4460 B13R1.340 C[C@H](O)CN(C)C(=O)c1cccs1 da450893427cad55c9fa4607a720d5c5 [0,2,0,0,0,0|1,1,0]=4 4461 B13R1.340 C[C@H](O)CN(C)C(=O)c1ccno1 be49385f144a68825a92fe31cf350276 [0,2,0,0,0,0|2,0,0]=4 4462 B13R1.340 C[C@H](O)CN(C)C(=O)c1cnco1 1362fd23559798b136dcc69e07bf6d1e [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.340 C[C@H](O)CN(C)C(=O)c1ncco1 59129b81de778fd35e104a91b3f460ec [0,2,0,0,0,0|2,0,0]=4 4464 B13R1.2780 CC(C)(C)CNC(=O)c1ccco1 3fa6d10dfe9d95ef73d7bcea9df2cad3 [0,2,0,0,0,0|1,0,0]=3 4465 B13R1.2780 CC(C)(C)CNC(=O)c1cccs1 1f5c6a0a8a57909ed5dfa9619f8c2791 [0,2,0,0,0,0|1,1,0]=4 4466 B13R1.2780 CC(C)(C)CNC(=O)c1ccno1 22a523ef5564c846d58abc7ce0f4dcde [0,2,0,0,0,0|2,0,0]=4 4467 B13R1.2780 CC(C)(C)CNC(=O)c1cnco1 32ebc35ab28c53a016b276b698e8f97b [0,2,0,0,0,0|2,0,0]=4 4468 B13R1.2780 CC(C)(C)CNC(=O)c1ncco1 20412ff5138f6d0116eb40d75e23ce58 [0,2,0,0,0,0|2,0,0]=4 4469 B13R1.2780 CC(C)(C)NCC(=O)c1ccco1 971686396b2696eb2d70610e2f2d280f [0,2,0,0,0,0|1,0,0]=3 4470 B13R1.2780 CC(C)(C)NCC(=O)c1cccs1 e7a5d30706bd66c47a4642fe8775d704 [0,2,0,0,0,0|1,1,0]=4 4471 B13R1.2780 CC(C)(C)NCC(=O)c1ncco1 4246d964e0e84e32730e53ae8578409e [0,2,0,0,0,0|2,0,0]=4 4472 B13R1.2780 CC(C)(O)CNC(=O)c1ccco1 c1fc39e9c67d9114a0bd6be66138a823 [0,2,0,0,0,0|1,0,0]=3 4473 B13R1.2780 CC(C)(O)CNC(=O)c1cccs1 a680ff0550e270cbfca1eda142f7bf1f [0,2,0,0,0,0|1,1,0]=4 4474 B13R1.2780 CC(C)(O)CNC(=O)c1ccno1 28e25a58954e5bed5e0fb4218589ad58 [0,2,0,0,0,0|2,0,0]=4 4475 B13R1.2780 CC(C)(O)CNC(=O)c1cnco1 d7024e5f8bb2d90d176b83b8f230cc41 [0,2,0,0,0,0|2,0,0]=4 4476 B13R1.2780 CC(C)(O)CNC(=O)c1ncco1 5c3487648e4259096042e4616ce7bdfa [0,2,0,0,0,0|2,0,0]=4 4477 B13R1.2780 CC(F)(F)CNC(=O)c1ccco1 0884940ff3822dfa7b657befb38b10c3 [0,2,0,0,0,0|1,0,0]=3 4478 B13R1.2780 CC(F)(F)CNC(=O)c1cccs1 52fc2c84a252526669eb78b54a838885 [0,2,0,0,0,0|1,1,0]=4 4479 B13R1.2780 CC(F)(F)CNC(=O)c1ccno1 027002dd43c9288407542c9e258f9ac7 [0,2,0,0,0,0|2,0,0]=4 4480 B13R1.2780 CC(F)(F)CNC(=O)c1cnco1 2a89842c9b52af426cca92aeaa9ccfda [0,2,0,0,0,0|2,0,0]=4 4481 B13R1.2780 CC(F)(F)CNC(=O)c1ncco1 e4d0a901904bed0387deb2868ea20ebb [0,2,0,0,0,0|2,0,0]=4 4482 B13R1.2780 O=C(NCC(F)(F)F)c1ccco1 a66786393ddcc903a41f435aa7960028 [0,2,0,0,0,0|2,0,0]=4 4483 B13R1.379 CCCN(CC)C(=O)c1ccco1 c354a1bf7ea05b808266a6bbcff8f0ee [0,2,0,0,0,0|1,0,0]=3 4484 B13R1.379 CCCN(CC)C(=O)c1cccs1 d6457fa64bb7931e52dcdabae7899465 [0,2,0,0,0,0|1,1,0]=4 4485 B13R1.379 CCCN(CC)C(=O)c1ccno1 6c204d3c43a6631afecaf5c60d36c6fd [0,2,0,0,0,0|2,0,0]=4 4486 B13R1.379 CCCN(CC)C(=O)c1cnco1 1fb33bd10c8dbbc48e5ab56dabbbdde7 [0,2,0,0,0,0|2,0,0]=4 4487 B13R1.379 CCCN(CC)C(=O)c1ncco1 e50eeee3207a3dfb0706b5e68ae036ae [0,2,0,0,0,0|2,0,0]=4 4488 B13R1.379 CCN(CCCl)C(=O)c1ccco1 37c9d70e1de35b5e91414c640e5e0161 [0,2,0,0,0,0|2,0,0]=4 4489 B13R1.379 CCN(CCO)C(=O)c1ccco1 c00a67ea3515fd93717822cc951fb7a9 [0,2,0,0,0,0|2,0,0]=4 4490 B13R1.379 O=C(c1ccco1)N(CO)CCO fe8acde4720818f4c312df7d23ef981b [0,2,0,0,0,0|2,0,0]=4 4491 B13R1.2909 CCCN(C)C(=O)c1cccn1C 502d5c141e880fe38c678fb106b8a874 [0,2,0,0,0,0|2,0,0]=4 4492 B13R1.2909 CCCN(C)C(=O)c1occc1Br 28d46776951d103051a92e6c0621fe9f [0,2,0,0,0,0|1,0,0]=3 4493 B13R1.2909 CCCN(C)C(=O)c1occc1C 437c1ccccc23c000cc69c715919a3429 [0,2,0,0,0,0|1,0,0]=3 4494 B13R1.2909 CCCN(C)C(=O)c1ocnc1Br f47fea471f58c11cabceec469dc39233 [0,2,0,0,0,0|2,0,0]=4 4495 B13R1.2909 CCCN(C)C(=O)c1ocnc1C 3f60b54c82c2b5a743e066b57f18c1af [0,2,0,0,0,0|2,0,0]=4 4496 B13R1.2909 CCCN(C)C(=O)c1oncc1C 9610f48dfa7f46ddcd84138e23695b87 [0,2,0,0,0,0|2,0,0]=4 4497 B13R1.2909 CCCN(C)C(=O)c1sccc1Br 9b80bacafffe03bca89a2e227f3769c7 [0,2,0,0,0,0|1,1,0]=4 4498 B13R1.2909 CCCN(C)C(=O)c1sccc1C 8ed3d3d11068910623563a42629d5f0b [0,2,0,0,0,0|1,1,0]=4 4499 B13R1.2909 CCCN(C)C(=O)c1sccc1Cl a8a3dbad7aee8b2fe3f3736ad8ae4475 [0,2,0,0,0,0|1,1,0]=4 4500 B13R1.2909 CCCN(C)C(=O)c1sccc1F 28308af2e49b879f4530f254cd68c788 [0,2,0,0,0,0|1,1,0]=4 4501 B13R1.2909 CCCN(C)C(=O)c1sccc1I a1e04c8f78b347b5ba5908eb566e5009 [0,2,0,0,0,0|1,1,0]=4 4502 B13R1.2909 CCCN(C)C(=O)c1sccc1O f8b36b473d7c70e48f00d93ff979fd33 [0,2,0,0,0,0|1,1,0]=4 4503 B13R1.2909 CCCN(C)C(=O)c1sccc1S 3fdd39b6307a2901195dbd280e312112 [0,2,0,0,0,0|1,1,0]=4 4504 B13R1.2909 CN(CCF)C(=O)c1occc1Br 92bf628f0cb8f467541fa819ae30867f [0,2,0,0,0,0|2,0,0]=4 4505 B13R1.2909 CN(CCO)C(=O)c1occc1Br 48587e5a931fb33d634d15c824d1e67e [0,2,0,0,0,0|2,0,0]=4 4506 B13R1.2909 Cc1ccoc1C(=O)N(C)CCF 14cf9a807c61e35b10ace927fdbee2ad [0,2,0,0,0,0|2,0,0]=4 4507 B13R1.2909 Cc1ccoc1C(=O)N(C)CCO 27c58f5e0e15390c8d53d48f6ec9fcb9 [0,2,0,0,0,0|2,0,0]=4 4508 B13R1.684 CCCNC(=O)c1occc1C=O a212a490994e95bfb95c429fd5c488f8 [0,2,0,0,0,0|1,0,0]=3 4509 B13R1.684 CCCNC(=O)c1sccc1C#N f5fd5f94c9177b88aaf832e4836ea78e [0,2,0,0,0,0|1,1,0]=4 4510 B13R1.684 CCCNC(=O)c1sccc1CC b50ee6f23c3a46143f71d1fd8ce206a3 [0,2,0,0,0,0|1,1,0]=4 4511 B13R1.684 CCCNC(=O)c1sccc1OC e2b09832426662009eb83889a2595641 [0,2,0,0,0,0|1,1,0]=4 4512 B13R1.684 O=Cc1ccoc1C(=O)NCCBr 6abc3074348603d181a19d7b13ca2628 [0,2,0,0,0,0|2,0,0]=4 4513 B13R1.684 O=Cc1ccoc1C(=O)NCCF c58675714a990be29c3533d083653473 [0,2,0,0,0,0|2,0,0]=4 4514 B13R1.684 O=Cc1ccoc1C(=O)NCCI 0204cda55e0e12da4cc0284535d67900 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.684 O=Cc1ccoc1C(=O)NCCO 223ea010a3e738a0d2b54607c33fd49e [0,2,0,0,0,0|2,0,0]=4 4516 B13R1.684 O=Cc1ccoc1C(=O)NCCS c1ecc9054700e656739604ce71384f3d [0,2,0,0,0,0|2,0,0]=4 4517 B13R1.2515 CCCNC(=O)c1c(ccn1C)Br 32e839c2ae8af7ecc2ef903c1c180204 [0,2,0,0,0,0|2,0,0]=4 4518 B13R1.2515 CCCNC(=O)c1c(ccn1C)C 6fd928342fbe90cbfc3829b26fba760d [0,2,0,0,0,0|2,0,0]=4 4519 B13R1.2515 CCCNC(=O)c1c(ccn1C)Cl 75958cad0b349bb7023e4c04c1d05ab7 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.2515 CCCNC(=O)c1c(ccn1C)F eb515196916780c0e75ecfe3da3ccb7a [0,2,0,0,0,0|2,0,0]=4 4521 B11R1.301 C/C=C/C=C/C(=O)NC1CC1 78a3aaac9d06637071d8d7078e590668 [0,0,1,1,0,0|2,0,0]=4 4522 B11R1.301 CC=CC=CC(=O)NC1CC1 216857c273fbc21e8273bfa27de4a7cd [0,0,1,1,0,0|2,0,0]=4 4523 B11R1.465 C=CCOC1=C(CCC1=O)C e92f48cf601091906076c4a42b6c2345 [0,0,1,1,0,0|0,0,2]=4 4524 B11R2.5 CC1CC1Nc2ncco2 da24961eb2a36a22de9a7e21978b1ab4 [1,0,0,1,0,0|2,0,0]=4 4525 B11R2.237 c1cc(on1)NC2CCC2 f32f503597d4cc3568656db9557dad14 [1,0,0,1,0,0|2,0,0]=4 4526 B11R2.237 c1coc(c1)CN2CCC2 3e50eaf83d3960c7b6f520b714cdd595 [1,0,0,1,0,0|1,0,1]=4 4527 B11R2.237 c1coc(c1)OC2CCC2 f5af9146d5a318e10ab5a7606f12d4d4 [1,0,0,1,0,0|1,0,0]=3 4528 B11R2.237 c1coc(c1)OC2COC2 ea8a9222025dc5c404c4c71757a8f9d5 [1,0,0,1,0,0|2,0,0]=4 4529 B11R2.385 c1cc(on1)NCC2CC2 86fa87d01515f64356de5368b49e2a99 [1,0,0,1,0,0|2,0,0]=4 4530 B11R2.385 c1coc(c1)CNC2CC2 a935d11545af700e1f9217e8d211e17d [1,0,0,1,0,0|1,0,1]=4 4531 B11R2.385 c1coc(c1)COC2CC2 03ead378b7018e25b154b738e6adcece [1,0,0,1,0,0|1,0,1]=4 4532 B11R2.385 c1coc(c1)OCC2CC2 47a1be8c37388d024c5b454a8878d544 [1,0,0,1,0,0|1,0,0]=3 4533 B11R2.385 c1coc(n1)NCC2CC2 797054f02a1060750213df59834a8720 [1,0,0,1,0,0|2,0,0]=4 4534 B11R2.385 c1csc(c1)NCC2CC2 325c825ea7aa3019b849fb2de969b493 [1,0,0,1,0,0|1,1,0]=4 4535 B11R2.385 c1csc(c1)OCC2CC2 48cbf3e23a9745a4d434fee8d20b2061 [1,0,0,1,0,0|1,1,0]=4 4536 B13R2.690 O=C(NC1CC1)c2ccccc2 e920cb3f12c2a1e3b34200476897d963 [0,0,0,1,0,1|2,0,0]=4 4537 B13R2.690 O=C(NC1CC1)c2ccccn2 7f3142d679d5543e4f0a7f7b6ef7dbf6 [0,0,0,1,0,1|2,0,0]=4 4538 B13R2.690 O=C(NC1CC1)c2cccnc2 c9a6138ae7fe582c8f2f33a809ee12e5 [0,0,0,1,0,1|2,0,0]=4 4539 B13R2.690 O=C(NC1CC1)c2cccnn2 50fdd31f89bee139de0317bc20233db7 [0,0,0,1,0,1|2,0,0]=4 4540 B13R2.690 O=C(NC1CC1)c2ccncc2 47c47297bc6b1db5e682911d93aa5abc [0,0,0,1,0,1|2,0,0]=4 4541 B13R2.690 O=C(NC1CC1)c2ccncn2 f6c9d341e38fb26bd83ec05fe977b593 [0,0,0,1,0,1|2,0,0]=4 4542 B13R2.690 O=C(NC1CC1)c2cnccn2 cee39f7ecc7a112a89932ac946b8646d [0,0,0,1,0,1|2,0,0]=4 4543 B13R2.690 O=C(NC1CC1)c2ncccn2 4847550bd2bceb0fdc79eb5d1e51555c [0,0,0,1,0,1|2,0,0]=4 4544 B13R2.8137 O=C(c1ccccc1)N2CCC2 acc4c9f3fe8c3da05afb8de106f30373 [0,0,0,1,0,1|2,0,0]=4 4545 B13R2.8137 O=C(c1ccccn1)N2CCC2 2a4a58ac030c443d82a8a74e87e84692 [0,0,0,1,0,1|2,0,0]=4 4546 B13R2.8137 O=C(c1cccnc1)N2CCC2 04270f979b88fa7db9180eb40f86d43f [0,0,0,1,0,1|2,0,0]=4 4547 B13R2.8137 O=C(c1cccnn1)N2CCC2 bd44cc02b24179b27959ba9e09bd14e3 [0,0,0,1,0,1|2,0,0]=4 4548 B13R2.8137 O=C(c1ccncc1)N2CCC2 b449ca5a50528eaf7c93c65fe41c71d1 [0,0,0,1,0,1|2,0,0]=4 4549 B13R2.8137 O=C(c1ccncn1)N2CCC2 ffade27be4b42b88a91d7df347f64131 [0,0,0,1,0,1|2,0,0]=4 4550 B13R2.8137 O=C(c1cnccn1)N2CCC2 520bb532ac9641a0ca3ed8e58f1d66d5 [0,0,0,1,0,1|2,0,0]=4 4551 B13R2.8137 O=C(c1ncccn1)N2CCC2 c1832b410afcd28d15185681bfd286d8 [0,0,0,1,0,1|2,0,0]=4 4552 B13R2.64 c1coc(c1)OC2CCCCC2 06a11ce0d933ad6eb1a1145a3869e7a2 [0,0,0,1,0,1|1,0,1]=4 4553 B13R2.64 c1coc(c1)OC2CCCCO2 8f20819b9555e30e4892b2eead305afb [0,0,0,1,0,1|0,0,2]=4 4554 B13R2.142 CC1CCC(C1)Nc2ccco2 5c5944059ef193e6f2e7b61d0252a72d [0,0,0,1,0,1|1,0,1]=4 4555 B13R2.142 CC1CCN(C1)Cc2ccco2 06869da887a48ed3e546956a97419412 [0,0,0,1,0,1|2,0,0]=4 4556 B13R2.634 CCC1CN(C1)Cc2ccco2 dfbf2d27f384739348ac4979d0af8e40 [0,0,0,1,0,1|2,0,0]=4 4557 B13R2.696 CN(Cc1ccco1)CC2CC2 531fea57222ad50179e91e5913512b84 [0,0,0,1,0,1|2,0,0]=4 4558 B13R2.696 O=C(CC1CC1)Nc2cccs2 1875dd38f19acee6e0f7b4f31b9915f3 [0,0,0,1,0,1|0,1,0]=3 4559 B13R2.696 O=C(CC1CC1)Nc2ccno2 a855df1a5ea788137ecfb101f391e279 [0,0,0,1,0,1|1,0,0]=3 4560 B13R2.696 O=C(CC1CC1)Nc2ccns2 a5ccfe5d795359d177ae0f702c44dee7 [0,0,0,1,0,1|1,1,0]=4 4561 B13R2.696 O=C(CC1CC1)Nc2ccsc2 d1a71a35b73fd2701792d50a64997051 [0,0,0,1,0,1|2,0,0]=4 4562 B13R2.696 O=C(CC1CC1)Nc2cocn2 ac8aeb9f574471faf184f0dcb90f50cc [0,0,0,1,0,1|2,0,0]=4 4563 B13R2.696 O=C(CC1CC1)Nc2cscn2 3bd329513a7e0dccb147ddc2f6837408 [0,0,0,1,0,1|2,0,0]=4 4564 B13R2.696 O=C(CC1CC1)Nc2ncco2 1de545e84e7eee98f584eb7efb34b65d [0,0,0,1,0,1|1,0,0]=3 4565 B13R2.696 O=C(CC1CC1)Nc2nccs2 6ea2e9dcb6ef905ad91ed752274b361b [0,0,0,1,0,1|1,1,0]=4 4566 B13R2.696 O=C(Cc1ccco1)NC2CC2 47489903c06804e4c4e3819e129bbf09 [0,0,0,1,0,1|1,0,0]=3 4567 B13R2.696 O=C(Cc1cccs1)NC2CC2 6a7029f6503c2640c24022193bebd55d [0,0,0,1,0,1|1,1,0]=4 4568 B13R2.696 O=C(Cc1ccno1)NC2CC2 6c0b985bbdf5a114e072cc49b9526a62 [0,0,0,1,0,1|2,0,0]=4 4569 B13R2.696 O=C(Cc1cnco1)NC2CC2 eff4b683aeb3d2bf7d58f899f0f3dac5 [0,0,0,1,0,1|2,0,0]=4 4570 B13R2.14233 CN(Cc1ccco1)C2CCC2 24e658810c9b304353fbbb8e55487323 [0,0,0,1,0,1|2,0,0]=4 4571 B13R2.14233 O=C(Cc1ccco1)N2CCC2 66eae6a0b431e98bbef7a9fabee31c93 [0,0,0,1,0,1|1,0,0]=3 4572 B13R2.14233 O=C(Cc1cccs1)N2CCC2 49a6d22e9441f3c8afa2e17e4d4f0d7d [0,0,0,1,0,1|1,1,0]=4 4573 B13R2.14233 O=C(Cc1ccno1)N2CCC2 a471be996ec39b9644d6dd3c7781aff5 [0,0,0,1,0,1|2,0,0]=4 4574 B13R2.14233 O=C(Cc1cnco1)N2CCC2 ebe91b77ee962c01e3cf7ff8064be84b [0,0,0,1,0,1|2,0,0]=4 4575 B13R2.14233 O=C(Nc1cccs1)C2CCO2 a75c2ad10d09c0347292a73c379a9f56 [0,0,0,1,0,1|1,1,0]=4 4576 B13R2.14233 O=C(Nc1cccs1)N2CCC2 35396980a180d1c754818405d2f312df [0,0,0,1,0,1|1,1,0]=4 4577 B13R2.14233 O=C(Nc1cccs1)[C@@H]2CCO2 6db64110bdd51219092249d7ca615240 [0,0,0,1,0,1|1,1,0]=4 4578 B13R2.14233 O=C(Nc1cccs1)[C@H]2CCO2 63617d30226835560130765e1cda2d23 [0,0,0,1,0,1|1,1,0]=4 4579 B13R2.14233 O=C(Nc1ccno1)C2CCO2 a57c61af6652dda1ffdffd4577f76305 [0,0,0,1,0,1|2,0,0]=4 4580 B13R2.14233 O=C(Nc1ccno1)N2CCC2 084e74e6a45899d94295ffbadaf8d5f4 [0,0,0,1,0,1|2,0,0]=4 4581 B13R2.14233 O=C(Nc1ccno1)[C@@H]2CCO2 5eb76c89ab98cd77c2c3987595cb3264 [0,0,0,1,0,1|2,0,0]=4 4582 B13R2.14233 O=C(Nc1ccno1)[C@H]2CCO2 a923f94a1281a3de6a72c9b9dd29d6d5 [0,0,0,1,0,1|2,0,0]=4 4583 B13R2.14233 O=C(Nc1ncco1)C2CCO2 e53fc387234f5910d972e14c89af91fd [0,0,0,1,0,1|2,0,0]=4 4584 B13R2.14233 O=C(Nc1ncco1)N2CCC2 7ade2ed38f119a9e17cc36204efa5acd [0,0,0,1,0,1|2,0,0]=4 4585 B13R2.14233 O=C(Nc1ncco1)[C@@H]2CCO2 46f72dfed1797a8de1c55153e2dae6c3 [0,0,0,1,0,1|2,0,0]=4 4586 B13R2.14233 O=C(Nc1ncco1)[C@H]2CCO2 182db42998a145f8876df3ccda2cdaac [0,0,0,1,0,1|2,0,0]=4 4587 B13R2.195 CC1CC1NC(=O)c2ccco2 fe377ed60d5e1b8868ef0aef7544d3c0 [0,1,0,1,0,0|0,0,0]=2 4588 B13R2.195 CC1CC1NC(=O)c2cccs2 42716e41393f0ac2b1bcace02a232de7 [0,1,0,1,0,0|0,1,0]=3 4589 B13R2.195 CC1CC1NC(=O)c2ccno2 8a259a31342dac5476d4941a7f71bee2 [0,1,0,1,0,0|1,0,0]=3 4590 B13R2.195 CC1CC1NC(=O)c2ccns2 dcc71b954cf4954830ae962f5ae62d56 [0,1,0,1,0,0|1,1,0]=4 4591 B13R2.195 CC1CC1NC(=O)c2ccoc2 22495203105bb54768318cf313c7e983 [0,1,0,1,0,0|2,0,0]=4 4592 B13R2.195 CC1CC1NC(=O)c2ccon2 0fdaa972b3afdc3d991b281f7deeee03 [0,1,0,1,0,0|2,0,0]=4 4593 B13R2.195 CC1CC1NC(=O)c2ccsc2 c4c3da151a03c94bba69fb96acd279fb [0,1,0,1,0,0|2,0,0]=4 4594 B13R2.195 CC1CC1NC(=O)c2ccsn2 88889414df760ba1c9af52514919f630 [0,1,0,1,0,0|2,0,0]=4 4595 B13R2.195 CC1CC1NC(=O)c2cnco2 c03825788870512c4c0aa3ecb4265908 [0,1,0,1,0,0|1,0,0]=3 4596 B13R2.195 CC1CC1NC(=O)c2cncs2 9c975767b3062729e866c0f616591841 [0,1,0,1,0,0|1,1,0]=4 4597 B13R2.195 CC1CC1NC(=O)c2cocn2 ce26d35cf0837d59513f4636d87e2d2d [0,1,0,1,0,0|2,0,0]=4 4598 B13R2.195 CC1CC1NC(=O)c2cscn2 c71d17744ca33888e622296667c5d739 [0,1,0,1,0,0|2,0,0]=4 4599 B13R2.195 CC1CC1NC(=O)c2ncco2 ff939bb6afb98abef7b96745b3475c0d [0,1,0,1,0,0|1,0,0]=3 4600 B13R2.195 CC1CC1NC(=O)c2nccs2 46a67b7417fbbde159703e7f0c1905bf [0,1,0,1,0,0|1,1,0]=4 4601 B13R2.195 CC1CC1NC(=O)c2nnco2 619f3e2712cb0999205b09dff9beaf66 [0,1,0,1,0,0|2,0,0]=4 4602 B13R2.195 O=C(N[C@@H]1C[C@H]1F)c2ccco2 abad755442b7ed9cd1de0245c02a5be9 [0,1,0,1,0,0|1,0,0]=3 4603 B13R2.195 O=C(N[C@@H]1C[C@H]1F)c2cccs2 f1e801949a60fb61a7eb5ceac9de4692 [0,1,0,1,0,0|1,1,0]=4 4604 B13R2.195 O=C(N[C@@H]1C[C@H]1F)c2ccno2 6f9cb4b0a0ae8b77eeb93dae748ce86f [0,1,0,1,0,0|2,0,0]=4 4605 B13R2.195 O=C(N[C@@H]1C[C@H]1F)c2cnco2 e8b3a8671a988c027d9aac54b40dc48d [0,1,0,1,0,0|2,0,0]=4 4606 B13R2.195 O=C(N[C@@H]1C[C@H]1F)c2ncco2 be3b5d3bc8dac80355dce9ea13a25a79 [0,1,0,1,0,0|2,0,0]=4 4607 B13R2.195 O=C(N[C@H]1C[C@@H]1F)c2ccco2 a6bc7c97c06f948712bfefe053b55525 [0,1,0,1,0,0|1,0,0]=3 4608 B13R2.195 O=C(N[C@H]1C[C@@H]1F)c2cccs2 b7417267ef503b6cffe2b2bb222cb358 [0,1,0,1,0,0|1,1,0]=4 4609 B13R2.195 O=C(N[C@H]1C[C@@H]1F)c2ccno2 9f49a441c9008a0a30359f2b2e7c6160 [0,1,0,1,0,0|2,0,0]=4 4610 B13R2.195 O=C(N[C@H]1C[C@@H]1F)c2cnco2 a9f7339d416c404e3069b4043edd4c38 [0,1,0,1,0,0|2,0,0]=4 4611 B13R2.195 O=C(N[C@H]1C[C@@H]1F)c2ncco2 b939eea138a1ba6c7212d493b7b8ad6e [0,1,0,1,0,0|2,0,0]=4 4612 B13R2.195 O=C(N[C@H]1C[C@H]1F)c2ccco2 a0563257cf0491e2c3a2d3e85cb94767 [0,1,0,1,0,0|1,0,0]=3 4613 B13R2.195 O=C(N[C@H]1C[C@H]1F)c2cccs2 1ce59ca7d652fb4ef7537a837b15e86a [0,1,0,1,0,0|1,1,0]=4 4614 B13R2.195 O=C(N[C@H]1C[C@H]1F)c2ccno2 22fc2ee623b1b30f3f5829382aa60c4e [0,1,0,1,0,0|2,0,0]=4 4615 B13R2.195 O=C(N[C@H]1C[C@H]1F)c2cnco2 9286cff57b18f5d8f530457343150ee0 [0,1,0,1,0,0|2,0,0]=4 4616 B13R2.195 O=C(N[C@H]1C[C@H]1F)c2ncco2 9e00bada4bab0cb46eb8f5f9ddb528e7 [0,1,0,1,0,0|2,0,0]=4 4617 B13R2.445 O=C(CN1CCC1)c2ccco2 1c49f7b7627aedc55b830357b9c2b4e9 [0,1,0,1,0,0|0,0,0]=2 4618 B13R2.445 O=C(CN1CCC1)c2cccs2 dd12f960255b9aa58777126ee66acaa1 [0,1,0,1,0,0|0,1,0]=3 4619 B13R2.445 O=C(CN1CCC1)c2ccsc2 deca3bd2d916bca73bc762c305e28377 [0,1,0,1,0,0|2,0,0]=4 4620 B13R2.445 O=C(CN1CCC1)c2cocn2 0380354dffd2e5776c0d5aa6a1f8dc8d [0,1,0,1,0,0|2,0,0]=4 4621 B13R2.445 O=C(CN1CCC1)c2ncco2 48a83b783fd20fbdd432c200816a7be3 [0,1,0,1,0,0|1,0,0]=3 4622 B13R2.445 O=C(CN1CCC1)c2nccs2 e6a97e6ec59087de0c21ec2558775f46 [0,1,0,1,0,0|1,1,0]=4 4623 B13R2.445 O=C(CN1CCC1)n2cccn2 963c32aff0e373920193a4a77fe75a26 [0,1,0,1,0,0|2,0,0]=4 4624 B13R2.445 O=C(NC1CCC1)c2ccco2 a04744b0864823284e84acc68817cdeb [0,1,0,1,0,0|0,0,0]=2 4625 B13R2.445 O=C(NC1CCC1)c2cccs2 c91648b5a9d6e2097b488064425a0aa8 [0,1,0,1,0,0|0,1,0]=3 4626 B13R2.445 O=C(NC1CCC1)c2ccno2 461e5e4d9a955dd00d7cf83feeb463d1 [0,1,0,1,0,0|1,0,0]=3 4627 B13R2.445 O=C(NC1CCC1)c2ccns2 8cea64c94634276446508f115638e377 [0,1,0,1,0,0|1,1,0]=4 4628 B13R2.445 O=C(NC1CCC1)c2ccoc2 1bc08105a77312b24fcd377852577ea2 [0,1,0,1,0,0|2,0,0]=4 4629 B13R2.445 O=C(NC1CCC1)c2ccon2 d49ea32768b82352df6a7da0bc6e9020 [0,1,0,1,0,0|2,0,0]=4 4630 B13R2.445 O=C(NC1CCC1)c2ccsc2 6de227c3de760ad26d59b8ae0ad286cf [0,1,0,1,0,0|2,0,0]=4 4631 B13R2.445 O=C(NC1CCC1)c2ccsn2 2bbd326e366c0aedb270e338ccae6adb [0,1,0,1,0,0|2,0,0]=4 4632 B13R2.445 O=C(NC1CCC1)c2cnco2 348396cc306d6d9958abc9aa7416583e [0,1,0,1,0,0|1,0,0]=3 4633 B13R2.445 O=C(NC1CCC1)c2cncs2 eabcf0c03ebf3886d425585513df20e8 [0,1,0,1,0,0|1,1,0]=4 4634 B13R2.445 O=C(NC1CCC1)c2cocn2 02d8d6bbbd61101aba6ce0ee484de666 [0,1,0,1,0,0|2,0,0]=4 4635 B13R2.445 O=C(NC1CCC1)c2cscn2 1336d0257234ea6bb3276aa32a24848f [0,1,0,1,0,0|2,0,0]=4 4636 B13R2.445 O=C(NC1CCC1)c2ncco2 3992aed5a5127dc46b9019befeb8a092 [0,1,0,1,0,0|1,0,0]=3 4637 B13R2.445 O=C(NC1CCC1)c2nccs2 8acae372af3d80d95fa64d07b42b350b [0,1,0,1,0,0|1,1,0]=4 4638 B13R2.445 O=C(NC1COC1)c2ccco2 c6407f3247c63024fda2488cd2c8a8d1 [0,1,0,1,0,0|1,0,0]=3 4639 B13R2.445 O=C(NC1COC1)c2cccs2 4e8946c0fd37f8e73eb2b673ff29b8ac [0,1,0,1,0,0|1,1,0]=4 4640 B13R2.445 O=C(NC1COC1)c2ccno2 dea26e1052f26887b224c8208332cc54 [0,1,0,1,0,0|2,0,0]=4 4641 B13R2.445 O=C(NC1COC1)c2cnco2 bceecaa6ddef9cc717b0768ac45694db [0,1,0,1,0,0|2,0,0]=4 4642 B13R2.445 O=C(NC1COC1)c2ncco2 522749f2dac1a21f0361bddd80e6257b [0,1,0,1,0,0|2,0,0]=4 4643 B13R2.694 CC1(CC1)NC(=O)c2ccco2 8fcd293de372d592d11111482978d131 [0,1,0,1,0,0|1,0,0]=3 4644 B13R2.694 CC1(CC1)NC(=O)c2cccs2 0b42686f676dcb2c07a09b3bf43fd710 [0,1,0,1,0,0|1,1,0]=4 4645 B13R2.694 CC1(CC1)NC(=O)c2ccno2 c2462945ca611ab45255543c71043eeb [0,1,0,1,0,0|2,0,0]=4 4646 B13R2.694 CC1(CC1)NC(=O)c2ncco2 610cd66e7ef02dab9833b2671bd2b88a [0,1,0,1,0,0|2,0,0]=4 4647 B13R2.2975 Cc1cc(on1)C(=O)NC2CC2 939598e274bb51357e6b8f50cae5a56d [0,1,0,1,0,0|2,0,0]=4 4648 B13R2.2975 Cc1ccc(o1)C(=O)NC2CC2 59e8f36affe06c764257fbffbadaf2d9 [0,1,0,1,0,0|1,0,0]=3 4649 B13R2.2975 Cc1ccc(o1)N(C)CC2CC2 1045f1e4304496b44883ab6787c3e17c [0,1,0,1,0,0|2,0,0]=4 4650 B13R2.2975 Cc1ccc(s1)C(=O)NC2CC2 4da192986c288cb35593dd7799ba443c [0,1,0,1,0,0|1,1,0]=4 4651 B13R2.2975 Cc1cnc(o1)C(=O)NC2CC2 232cbdc37524fb73328185d1c67b766b [0,1,0,1,0,0|2,0,0]=4 4652 B13R2.2975 Cc1coc(c1)C(=O)NC2CC2 901008d4d179c5a33a4d538b81bcf44b [0,1,0,1,0,0|1,0,0]=3 4653 B13R2.2975 Cc1coc(n1)C(=O)NC2CC2 2d621567b75682eb08e9d856cafdfa17 [0,1,0,1,0,0|2,0,0]=4 4654 B13R2.2975 Cc1csc(c1)C(=O)NC2CC2 5efb5c000178f7542672e14b14109f59 [0,1,0,1,0,0|1,1,0]=4 4655 B13R2.2975 Cc1ncc(o1)C(=O)NC2CC2 c95f729e5ea5a7adfddc079588769b30 [0,1,0,1,0,0|2,0,0]=4 4656 B13R2.2975 O=C(NC1CC1)c2cc(co2)Br 8cd574d40a72f6562f6149e7c941ef29 [0,1,0,1,0,0|1,0,0]=3 4657 B13R2.2975 O=C(NC1CC1)c2cc(co2)Cl d3ac2e08ec4c65203c3ce8f8afb565e7 [0,1,0,1,0,0|1,0,0]=3 4658 B13R2.2975 O=C(NC1CC1)c2cc(cs2)Br e4e50fe261e4c2e8250fc0a495f322e2 [0,1,0,1,0,0|1,1,0]=4 4659 B13R2.2975 O=C(NC1CC1)c2cc(cs2)Cl 645ceac826c05fd8731c9e40bfc7a853 [0,1,0,1,0,0|1,1,0]=4 4660 B13R2.2975 O=C(NC1CC1)c2cc(cs2)F 9c111ec587ca69d37ebcff420f2c48b3 [0,1,0,1,0,0|1,1,0]=4 4661 B13R2.2975 O=C(NC1CC1)c2cc(cs2)O ef9d35ca55ac1b3b3a8b47191c168ddd [0,1,0,1,0,0|1,1,0]=4 4662 B13R2.2975 O=C(NC1CC1)c2cc(no2)Br d3d867ac6b440a4ec111db03351098df [0,1,0,1,0,0|2,0,0]=4 4663 B13R2.2975 O=C(NC1CC1)c2cc(no2)Cl 3393fd313d7fe8ad6df2bbbc5904f223 [0,1,0,1,0,0|2,0,0]=4 4664 B13R2.2975 O=C(NC1CC1)c2cc(no2)O c3e23c9a5b862b970aa509573db4252d [0,1,0,1,0,0|2,0,0]=4 4665 B13R2.2975 O=C(NC1CC1)c2ccc(o2)Br b683412e61015f1e9b55fdae913c817a [0,1,0,1,0,0|1,0,0]=3 4666 B13R2.2975 O=C(NC1CC1)c2ccc(o2)Cl 4afe6acd01eac2c2d58843be542a82b3 [0,1,0,1,0,0|1,0,0]=3 4667 B13R2.2975 O=C(NC1CC1)c2ccc(o2)F b1c1442badad539cf6710dda2e6d6d51 [0,1,0,1,0,0|1,0,0]=3 4668 B13R2.2975 O=C(NC1CC1)c2ccc(o2)I ed669ca91ce7f38452b0ae7ecafc110f [0,1,0,1,0,0|1,0,0]=3 4669 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Br 7690e750258b107948e1955bdf9ef468 [0,1,0,1,0,0|1,1,0]=4 4670 B13R2.2975 O=C(NC1CC1)c2ccc(s2)Cl 734eef6f0bdfa8dd585aee1f78b597e0 [0,1,0,1,0,0|1,1,0]=4 4671 B13R2.2975 O=C(NC1CC1)c2ccc(s2)F 04946d5e53b0b38fa827da1e9b433e3f [0,1,0,1,0,0|1,1,0]=4 4672 B13R2.2975 O=C(NC1CC1)c2ccc(s2)I b9b6ecac274bf35ec218ab1e4adbb5f6 [0,1,0,1,0,0|1,1,0]=4 4673 B13R2.2975 O=C(NC1CC1)c2cnc(o2)Br 1538f488de2df0265fe20bb756654d80 [0,1,0,1,0,0|2,0,0]=4 4674 B13R2.2975 O=C(NC1CC1)c2cnc(o2)Cl 8e389a3531b0e10b332ca0f103862e64 [0,1,0,1,0,0|2,0,0]=4 4675 B13R2.2975 O=C(NC1CC1)c2cnc(o2)I 2cb9ea4af2c6d62c4523662d29d59d16 [0,1,0,1,0,0|2,0,0]=4 4676 B13R2.2975 O=C(NC1CC1)c2cnc(o2)O 703aa93d27a192b60b6ff686c03f0b8a [0,1,0,1,0,0|2,0,0]=4 4677 B13R2.2975 O=C(NC1CC1)c2nc(co2)Br a7dc4782b680ec395c200ed68e21d93b [0,1,0,1,0,0|2,0,0]=4 4678 B13R2.2975 O=C(NC1CC1)c2ncc(o2)Br 71ab3464613ba7d7346f1ed316af5de1 [0,1,0,1,0,0|2,0,0]=4 4679 B13R2.10104 Cc1cc(on1)C(=O)N2CCC2 63c861804290510d4a2f17818523c6d8 [0,1,0,1,0,0|2,0,0]=4 4680 B13R2.10104 Cc1ccc(o1)C(=O)N2CCC2 36ce2a5c29ba87268876bd4475efc323 [0,1,0,1,0,0|1,0,0]=3 4681 B13R2.10104 Cc1ccc(s1)C(=O)N2CCC2 e6445106fde699ba66e3426e08aae6fe [0,1,0,1,0,0|1,1,0]=4 4682 B13R2.10104 Cc1cnc(o1)C(=O)N2CCC2 6e0cc60483bd8353b33a8bb12680f0bf [0,1,0,1,0,0|2,0,0]=4 4683 B13R2.10104 Cc1coc(c1)C(=O)N2CCC2 e2cc7082ae1ced451a5a60b5ef9bcd15 [0,1,0,1,0,0|1,0,0]=3 4684 B13R2.10104 Cc1coc(n1)C(=O)N2CCC2 228852777880df5bf74acafdd69f2ad9 [0,1,0,1,0,0|2,0,0]=4 4685 B13R2.10104 Cc1csc(c1)C(=O)N2CCC2 218266d51f80f001156c3437adda79e3 [0,1,0,1,0,0|1,1,0]=4 4686 B13R2.10104 Cc1ncc(o1)C(=O)N2CCC2 d8f235a892b1e0228e9f9281fea64865 [0,1,0,1,0,0|2,0,0]=4 4687 B13R2.10104 O=C(c1cc(co1)Br)N2CCC2 9f6265cade5a1824d0f4f1ec85118f97 [0,1,0,1,0,0|1,0,0]=3 4688 B13R2.10104 O=C(c1cc(co1)Cl)N2CCC2 ce778e5e4c42cea99203df5ef4c9c4d7 [0,1,0,1,0,0|1,0,0]=3 4689 B13R2.10104 O=C(c1cc(cs1)Br)N2CCC2 710669e382ae27a02533e53e4768bdfa [0,1,0,1,0,0|1,1,0]=4 4690 B13R2.10104 O=C(c1cc(cs1)Cl)N2CCC2 d96d396d2cd426bfa54c6d3f76cb8b55 [0,1,0,1,0,0|1,1,0]=4 4691 B13R2.10104 O=C(c1cc(cs1)F)N2CCC2 210ce8e3c7736f13e0e88bc76e9e7575 [0,1,0,1,0,0|1,1,0]=4 4692 B13R2.10104 O=C(c1cc(cs1)O)N2CCC2 4c834f3493b01ad8520cbb29157212fe [0,1,0,1,0,0|1,1,0]=4 4693 B13R2.10104 O=C(c1cc(no1)Br)N2CCC2 4aca64bf3ac3ea57a8aee3cfdda95963 [0,1,0,1,0,0|2,0,0]=4 4694 B13R2.10104 O=C(c1cc(no1)Cl)N2CCC2 a102a75a311c64deab87381a61936de8 [0,1,0,1,0,0|2,0,0]=4 4695 B13R2.10104 O=C(c1cc(no1)O)N2CCC2 60cea21443a8d1e630ccdbb3f6a3e7fc [0,1,0,1,0,0|2,0,0]=4 4696 B13R2.10104 O=C(c1ccc(o1)Br)N2CCC2 52ae744df77a4535de6b2b07861e83ed [0,1,0,1,0,0|1,0,0]=3 4697 B13R2.10104 O=C(c1ccc(o1)Cl)N2CCC2 64375f96762bf38055456c445f37e3c3 [0,1,0,1,0,0|1,0,0]=3 4698 B13R2.10104 O=C(c1ccc(o1)F)N2CCC2 84a37aa86ff55f5e86c570cd727143c4 [0,1,0,1,0,0|1,0,0]=3 4699 B13R2.10104 O=C(c1ccc(o1)I)N2CCC2 2e18cd0f767ac17627d633113aafd9c1 [0,1,0,1,0,0|1,0,0]=3 4700 B13R2.10104 O=C(c1ccc(s1)Br)N2CCC2 dd5d766e983f0f76e4415ab71ed44642 [0,1,0,1,0,0|1,1,0]=4 4701 B13R2.10104 O=C(c1ccc(s1)Cl)N2CCC2 7d1e08b45dffa83c25d5c5148422920c [0,1,0,1,0,0|1,1,0]=4 4702 B13R2.10104 O=C(c1ccc(s1)F)N2CCC2 c04d0f8c57f15e29f091a602aced9494 [0,1,0,1,0,0|1,1,0]=4 4703 B13R2.10104 O=C(c1ccc(s1)I)N2CCC2 26477fb48641a646d07217b544d32edd [0,1,0,1,0,0|1,1,0]=4 4704 B13R2.10104 O=C(c1cnc(o1)Br)N2CCC2 2d9a13061616b4f1ea70622df68325d3 [0,1,0,1,0,0|2,0,0]=4 4705 B13R2.10104 O=C(c1cnc(o1)Cl)N2CCC2 1a67a9a44888607081c1e43c0f58a1c4 [0,1,0,1,0,0|2,0,0]=4 4706 B13R2.10104 O=C(c1cnc(o1)I)N2CCC2 76bb57b3e92a659bf4cf638dd4d5301c [0,1,0,1,0,0|2,0,0]=4 4707 B13R2.10104 O=C(c1cnc(o1)O)N2CCC2 ba9d75c699ca9147fe0dfe216fd3c85e [0,1,0,1,0,0|2,0,0]=4 4708 B13R2.10104 O=C(c1nc(co1)Br)N2CCC2 ff2a05d3aef9e0d963c67df4f8d2a1d7 [0,1,0,1,0,0|2,0,0]=4 4709 B13R2.10104 O=C(c1ncc(o1)Br)N2CCC2 190b6c1cd8d5056ae4eb971560b26bd9 [0,1,0,1,0,0|2,0,0]=4 4710 B13R2.443 CC(NCC1CC1)c2ccco2 cc890b7fb454ab2d67cdaf40e22f4451 [0,1,0,1,0,0|1,0,1]=4 4711 B13R2.443 CC(OCC1CC1)c2ccco2 6781fe6c905ab287081c9b41023f83a1 [0,1,0,1,0,0|1,0,1]=4 4712 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 97048d94e9752c937d09d2b5246f00a1 [0,1,0,1,0,0|1,0,1]=4 4713 B13R2.443 C[C@@H](OCC1CC1)c2ccco2 0bfc130fac43bc102c341d9b36b98ca5 [0,1,0,1,0,0|1,0,1]=4 4714 B13R2.443 O=C(CNC1CC1)c2ccco2 9e6789e8c52753e4b9f2a02a10aea884 [0,1,0,1,0,0|0,0,0]=2 4715 B13R2.443 O=C(CNC1CC1)c2cccs2 9517348616ebc2eed304c04f42689880 [0,1,0,1,0,0|0,1,0]=3 4716 B13R2.443 O=C(CNC1CC1)c2ccsc2 17dd20743d85627f34e1409c595405a0 [0,1,0,1,0,0|2,0,0]=4 4717 B13R2.443 O=C(CNC1CC1)c2cocn2 13c16c8bba0777fcfdcc853d65395a11 [0,1,0,1,0,0|2,0,0]=4 4718 B13R2.443 O=C(CNC1CC1)c2ncco2 0a13a339f27ec5ff2f6446cb9217a8b6 [0,1,0,1,0,0|1,0,0]=3 4719 B13R2.443 O=C(CNC1CC1)c2nccs2 ce65d70b9bd9a99e6f0ccdd68cd6a439 [0,1,0,1,0,0|1,1,0]=4 4720 B13R2.443 O=C(CNC1CC1)n2cccn2 7db0f3cc031489aa26ca0d65fb35b575 [0,1,0,1,0,0|2,0,0]=4 4721 B13R2.443 O=C(COC1CC1)c2ccc[nH]2 08091675cbbce0d29500ce6da57bc236 [0,1,0,1,0,0|1,0,0]=3 4722 B13R2.443 O=C(COC1CC1)c2ccco2 90a5de2bf5b314e225c4690f20ba7bbb [0,1,0,1,0,0|0,0,0]=2 4723 B13R2.443 O=C(COC1CC1)c2cccs2 fe2629d06c333457b695bfa0ee2bce3c [0,1,0,1,0,0|0,1,0]=3 4724 B13R2.443 O=C(COC1CC1)c2ccsc2 d5096801f96302984455bc913c46a5d2 [0,1,0,1,0,0|2,0,0]=4 4725 B13R2.443 O=C(COC1CC1)c2cocn2 9335e923aebc920702c9676326fccbf5 [0,1,0,1,0,0|2,0,0]=4 4726 B13R2.443 O=C(COC1CC1)c2ncco2 30dfa22284a2a507056636d75a4579c3 [0,1,0,1,0,0|1,0,0]=3 4727 B13R2.443 O=C(COC1CC1)c2nccs2 dee4b6d4888e56e45b11d205a450a590 [0,1,0,1,0,0|1,1,0]=4 4728 B13R2.443 O=C(COC1CC1)n2cccn2 d95f840204f40a67df5de801e8059136 [0,1,0,1,0,0|2,0,0]=4 4729 B13R2.443 O=C(NCC1CC1)c2ccco2 9372acedc2525a31eaf6cb0bbc4a01c6 [0,1,0,1,0,0|0,0,0]=2 4730 B13R2.443 O=C(NCC1CC1)c2cccs2 e02a5de7fbc34f6189366cc55f5832f7 [0,1,0,1,0,0|0,1,0]=3 4731 B13R2.443 O=C(NCC1CC1)c2ccno2 4e970516887695299c4c0a1f028b7551 [0,1,0,1,0,0|1,0,0]=3 4732 B13R2.443 O=C(NCC1CC1)c2ccns2 a90ad54346b647c47f2036ac453ad726 [0,1,0,1,0,0|1,1,0]=4 4733 B13R2.443 O=C(NCC1CC1)c2ccoc2 a5b222ff3109415d203b209b4490bf99 [0,1,0,1,0,0|2,0,0]=4 4734 B13R2.443 O=C(NCC1CC1)c2ccon2 24e4c1ff7fa35edb2a8da361909db2a2 [0,1,0,1,0,0|2,0,0]=4 4735 B13R2.443 O=C(NCC1CC1)c2ccsc2 71f8086faba752adbb350a0846086a90 [0,1,0,1,0,0|2,0,0]=4 4736 B13R2.443 O=C(NCC1CC1)c2ccsn2 d9e674ee9c5b7648431c4a428e061474 [0,1,0,1,0,0|2,0,0]=4 4737 B13R2.443 O=C(NCC1CC1)c2cnco2 94f53fee79797e53ca218d00cf17325e [0,1,0,1,0,0|1,0,0]=3 4738 B13R2.443 O=C(NCC1CC1)c2cncs2 b9b139979a5a9b9e13c7efcd31204fb1 [0,1,0,1,0,0|1,1,0]=4 4739 B13R2.443 O=C(NCC1CC1)c2cocn2 dee34b99577a5d40af22d28c2d9c3cab [0,1,0,1,0,0|2,0,0]=4 4740 B13R2.443 O=C(NCC1CC1)c2cscn2 25a6f45b88d7028e80a7531ce3a79171 [0,1,0,1,0,0|2,0,0]=4 4741 B13R2.443 O=C(NCC1CC1)c2ncco2 c591b1eddb8126d54a3e7c38f0ab4298 [0,1,0,1,0,0|1,0,0]=3 4742 B13R2.443 O=C(NCC1CC1)c2nccs2 ce808f193599d4e08dd56a7efac379f1 [0,1,0,1,0,0|1,1,0]=4 4743 B13R2.443 O=C(NCC1CC1)c2nnco2 79a8d7e4a5da5d95c6060134dd244f14 [0,1,0,1,0,0|2,0,0]=4 4744 B13R2.443 OC(CNC1CC1)c2ccco2 210db05fe06714f1b6dfe99a644d9950 [0,1,0,1,0,0|0,0,2]=4 4745 B13R2.674 O=C(c1ccco1)N2CC=CC2 65c69288e7f1f2900e3bd5b33a04ac77 [0,1,0,1,0,0|0,0,2]=4 4746 B13R2.674 O=C(c1ccco1)N2CCSC2 7f4619823271a1bf047f795f7357eb8e [0,1,0,1,0,0|1,0,0]=3 4747 B13R2.674 O=C(c1cccs1)N2CCSC2 2f7c8c216e20764523b40f43f4d90845 [0,1,0,1,0,0|1,1,0]=4 4748 B13R2.674 O=C(c1ccno1)N2CCSC2 d444838e735ebae202c69bd4b8826174 [0,1,0,1,0,0|2,0,0]=4 4749 B13R2.674 O=C(c1cnco1)N2CCSC2 47d57f0050cf717d7c1987c34f353a64 [0,1,0,1,0,0|2,0,0]=4 4750 B13R2.674 O=C(c1ncco1)N2CCSC2 8863153b0945335e9badd28a278eb638 [0,1,0,1,0,0|2,0,0]=4 4751 B13R2.233 O=C(c1ccco1)N2CC(C2)F 3825d54b44b853a711c58ba39156fe2f [0,1,0,1,0,0|1,0,0]=3 4752 B13R2.233 O=C(c1ccco1)N2CC(C2)O 18a12acd6a4877a240e4833d2f7cbac1 [0,1,0,1,0,0|1,0,0]=3 4753 B13R2.233 O=C(c1cccs1)N2CC(C2)F e673f57567199481bdb48f0426f6d11d [0,1,0,1,0,0|1,1,0]=4 4754 B13R2.233 O=C(c1cccs1)N2CC(C2)O cb94e1445fd67397ef2a4f5adc7efd37 [0,1,0,1,0,0|1,1,0]=4 4755 B13R2.233 O=C(c1ccno1)N2CC(C2)F d046a26843105bd195eee851fdc8cca3 [0,1,0,1,0,0|2,0,0]=4 4756 B13R2.233 O=C(c1ccno1)N2CC(C2)O 36f252dac89e59d05b884923ff806881 [0,1,0,1,0,0|2,0,0]=4 4757 B13R2.233 O=C(c1cnco1)N2CC(C2)F ec605e480d11c5f67b2261e0ce5fb3d5 [0,1,0,1,0,0|2,0,0]=4 4758 B13R2.233 O=C(c1cnco1)N2CC(C2)O 19e14cf4515a42ecb089402392c921bb [0,1,0,1,0,0|2,0,0]=4 4759 B13R2.233 O=C(c1ncco1)N2CC(C2)F 9db207da0b4014ef822ad110d652a525 [0,1,0,1,0,0|2,0,0]=4 4760 B13R2.233 O=C(c1ncco1)N2CC(C2)O cc299d937decdbaf0443b414257ebd58 [0,1,0,1,0,0|2,0,0]=4 4761 B13R2.6805 CC1(CN1C(=O)c2ccco2)C 83d95b37158f5365fdc59790a837ebb1 [0,1,0,1,0,0|1,0,0]=3 4762 B13R2.6805 CC1(CN1C(=O)c2cccs2)C dd1a27534d48340ec8b9ade704aec46c [0,1,0,1,0,0|1,1,0]=4 4763 B13R2.6805 CC1(CN1C(=O)c2ccno2)C df09f2eca0f262ac73647c0ef929de6d [0,1,0,1,0,0|2,0,0]=4 4764 B13R2.6805 CC1(CN1C(=O)c2cnco2)C e88ef612248ac6283275f4d0e6c1bed1 [0,1,0,1,0,0|2,0,0]=4 4765 B13R2.6805 CC1(CN1C(=O)c2ncco2)C d2bd8b921e6dd22ff6ff2cfa20c2c0f6 [0,1,0,1,0,0|2,0,0]=4 4766 B13R2.8139 CN(C(=O)c1ccco1)C2CC2 084448f68060afb179af369081eb85a0 [0,1,0,1,0,0|1,0,0]=3 4767 B13R2.8139 CN(C(=O)c1cccs1)C2CC2 5feba5e31c39cb96120fddec20020706 [0,1,0,1,0,0|1,1,0]=4 4768 B13R2.8139 CN(C(=O)c1ccno1)C2CC2 c450a7e54ab6987f694031afaa518098 [0,1,0,1,0,0|2,0,0]=4 4769 B13R2.8139 CN(C(=O)c1cnco1)C2CC2 7a624c0ef11e34f5bddaac91845c2cdb [0,1,0,1,0,0|2,0,0]=4 4770 B13R2.8139 CN(C(=O)c1ncco1)C2CC2 513517d935171f7acc427effc72da5d7 [0,1,0,1,0,0|2,0,0]=4 4771 B13R2.3151 Cc1ccoc1C(=O)NC2CC2 0d801be6988a3ab1b017606ca5cddaf8 [0,1,0,1,0,0|1,0,0]=3 4772 B13R2.3151 Cc1ccsc1C(=O)NC2CC2 51a107d0efe116c94a7e2c3e990bfe13 [0,1,0,1,0,0|1,1,0]=4 4773 B13R2.3151 Cc1cnoc1C(=O)NC2CC2 5b35f2a0f50a322abef619f0104cc0a3 [0,1,0,1,0,0|2,0,0]=4 4774 B13R2.3151 Cc1ncoc1C(=O)NC2CC2 6bdacf1be417d9d6a1c6775b9739fcf2 [0,1,0,1,0,0|2,0,0]=4 4775 B13R2.3151 Cn1cccc1C(=O)NC2CC2 213c9990dee1919b7e043f3075f2c7a5 [0,1,0,1,0,0|2,0,0]=4 4776 B13R2.3151 O=C(NC1CC1)c2occc2Br 265f8d03feeefe4b50348a18f3c10ded [0,1,0,1,0,0|1,0,0]=3 4777 B13R2.3151 O=C(NC1CC1)c2ocnc2Br cda23bcbc8eaabe999e0583565ccc323 [0,1,0,1,0,0|2,0,0]=4 4778 B13R2.3151 O=C(NC1CC1)c2sccc2Br 389ecb354668387cfb0b103e8cbf20c4 [0,1,0,1,0,0|1,1,0]=4 4779 B13R2.3151 O=C(NC1CC1)c2sccc2Cl fe967f7dd2528eeafae7023f4779b501 [0,1,0,1,0,0|1,1,0]=4 4780 B13R2.3151 O=C(NC1CC1)c2sccc2F c915a5df9168e8de23c386880caf9022 [0,1,0,1,0,0|1,1,0]=4 4781 B13R2.3151 O=C(NC1CC1)c2sccc2I 04738f5422a9d4fa06de0ac61cc0d34a [0,1,0,1,0,0|1,1,0]=4 4782 B13R2.3151 O=C(NC1CC1)c2sccc2O f4edd9c65a6a697c196ac4bca76f5230 [0,1,0,1,0,0|1,1,0]=4 4783 B13R2.3151 O=C(NC1CC1)c2sccc2S e036a08e9882945136901342ffc26c92 [0,1,0,1,0,0|1,1,0]=4 4784 B13R2.10561 Cc1ccoc1C(=O)N2CCC2 fceb85e1bc3e4ef735bd1ae7aa29dd65 [0,1,0,1,0,0|1,0,0]=3 4785 B13R2.10561 Cc1ccsc1C(=O)N2CCC2 4d6134ee7456a35e77f73f5ac4683e6a [0,1,0,1,0,0|1,1,0]=4 4786 B13R2.10561 Cc1cnoc1C(=O)N2CCC2 1ec9c1a737362d616e65f45c4c580bae [0,1,0,1,0,0|2,0,0]=4 4787 B13R2.10561 Cc1ncoc1C(=O)N2CCC2 e139c2ce8e1bec3568055d53b7844489 [0,1,0,1,0,0|2,0,0]=4 4788 B13R2.10561 Cn1cccc1C(=O)N2CCC2 f97fc38ea1686946dfaf926187f286f2 [0,1,0,1,0,0|2,0,0]=4 4789 B13R2.10561 O=C(c1occc1Br)N2CCC2 b28c763c049c6bbbed4b2855a556f763 [0,1,0,1,0,0|1,0,0]=3 4790 B13R2.10561 O=C(c1ocnc1Br)N2CCC2 d5a1f249fe96e0eccba5645d58a14e64 [0,1,0,1,0,0|2,0,0]=4 4791 B13R2.10561 O=C(c1sccc1Br)N2CCC2 ca610487cdd53b2c6a87ae1ddb5fc8a6 [0,1,0,1,0,0|1,1,0]=4 4792 B13R2.10561 O=C(c1sccc1Cl)N2CCC2 70ed66e58b1d6729bfddbb207f06cced [0,1,0,1,0,0|1,1,0]=4 4793 B13R2.10561 O=C(c1sccc1F)N2CCC2 f18d004938b1cf98b1093f73b0292972 [0,1,0,1,0,0|1,1,0]=4 4794 B13R2.10561 O=C(c1sccc1I)N2CCC2 cc11f056e2bededf39762ab6d1142dfd [0,1,0,1,0,0|1,1,0]=4 4795 B13R2.10561 O=C(c1sccc1O)N2CCC2 394666f29ca743dec62104f514ececb2 [0,1,0,1,0,0|1,1,0]=4 4796 B13R2.10561 O=C(c1sccc1S)N2CCC2 6e597a88d67e55872299ce83aec92418 [0,1,0,1,0,0|1,1,0]=4 4797 B13R1.44 CCCCC(=O)Nc1ccccc1 23ed3b5fa4d849246c442d63dab5c35b [0,0,0,0,0,2|1,0,0]=3 4798 B13R1.44 CCCCC(=O)Nc1ccccn1 ea029227fbf3ccd53e108bc1e3c1d3f3 [0,0,0,0,0,2|1,0,0]=3 4799 B13R1.44 CCCCC(=O)Nc1cccnc1 eb64c40337efca1cacc0d02591146822 [0,0,0,0,0,2|1,0,0]=3 4800 B13R1.44 CCCCC(=O)Nc1cccnn1 e8ec91a2273e212d613ec1f80820e525 [0,0,0,0,0,2|1,0,0]=3 4801 B13R1.44 CCCCC(=O)Nc1ccncc1 46ac03daca903c9e997c59666d38f6a4 [0,0,0,0,0,2|1,0,0]=3 4802 B13R1.44 CCCCC(=O)Nc1ccncn1 8d431c9e06505a585c7965c08aa505a9 [0,0,0,0,0,2|1,0,0]=3 4803 B13R1.44 CCCCC(=O)Nc1ccnnc1 05a7c799b948aa2347790104484bd1c9 [0,0,0,0,0,2|2,0,0]=4 4804 B13R1.44 CCCCC(=O)Nc1cnccn1 ea0c62ebbedc36e6a9a73806f7a05d12 [0,0,0,0,0,2|1,0,0]=3 4805 B13R1.44 CCCCC(=O)Nc1cnncn1 7b5a9763bab8507fd900a5c61822468f [0,0,0,0,0,2|2,0,0]=4 4806 B13R1.44 CCCNC(=O)Cc1ccccn1 636356973687d8cc469c4e38671fa2db [0,0,0,0,0,2|2,0,0]=4 4807 B13R1.44 CCCNC(=O)Cc1cccnc1 f2a557eca5180d26a1ba680474756ff5 [0,0,0,0,0,2|2,0,0]=4 4808 B13R1.44 CCCNC(=O)Cc1ccncc1 aef0a4799b956995277af88167a401f0 [0,0,0,0,0,2|2,0,0]=4 4809 B13R1.44 CCCNC(=O)Cc1ccncn1 d22237869f456c1c2dd2ab5779308391 [0,0,0,0,0,2|2,0,0]=4 4810 B13R1.44 CCCNC(=O)Cc1cnccn1 2f35857f2c14594d80eb6dfb548f7423 [0,0,0,0,0,2|2,0,0]=4 4811 B13R1.44 CCCNC(=O)Cc1ncccn1 ab2f8b4e4bd9d63374f5c4bb059d8a4a [0,0,0,0,0,2|2,0,0]=4 4812 B13R1.44 CCCNC(=O)Nc1ccccn1 7a343167602c35a8edaca663620bc188 [0,0,0,0,0,2|2,0,0]=4 4813 B13R1.44 CCCNC(=O)Nc1cccnc1 a3e2bed1931b38ad3cda0351c794fe18 [0,0,0,0,0,2|2,0,0]=4 4814 B13R1.44 CCCNC(=O)Nc1cccnn1 a4129bb96d00302d4d2c2fab16dc119d [0,0,0,0,0,2|2,0,0]=4 4815 B13R1.44 CCCNC(=O)Nc1ccncc1 e449c5b262f96de4940031bf7e603469 [0,0,0,0,0,2|2,0,0]=4 4816 B13R1.44 CCCNC(=O)Nc1cnccn1 5033cc6911df1e97ff46d8546c8ddd7b [0,0,0,0,0,2|2,0,0]=4 4817 B13R1.44 CCCNC(=O)Nc1ncccn1 42b9963326e9bc071f97eece87b08a3f [0,0,0,0,0,2|2,0,0]=4 4818 B13R1.44 CCNCC(=O)Nc1ccccc1 939092c06464341bb92825b080226ef0 [0,0,0,0,0,2|2,0,0]=4 4819 B13R1.44 CCOCC(=O)Nc1ccccc1 de976fa385c260d338786a3e328d5467 [0,0,0,0,0,2|2,0,0]=4 4820 B13R1.44 CCOCC(=O)Nc1ccccn1 772eb1c9a2a9e8c708f0a85dd0264a7e [0,0,0,0,0,2|2,0,0]=4 4821 B13R1.44 CCOCC(=O)Nc1cccnc1 94810271b0a98db94ca7587d0e2248f1 [0,0,0,0,0,2|2,0,0]=4 4822 B13R1.44 CCOCC(=O)Nc1cccnn1 5f02fe971b5be03dc2b3045e9def3b89 [0,0,0,0,0,2|2,0,0]=4 4823 B13R1.44 CCOCC(=O)Nc1ccncc1 89f22ac88b25f8767f50782337af6794 [0,0,0,0,0,2|2,0,0]=4 4824 B13R1.44 CCOCC(=O)Nc1ccncn1 51e3f0b2bf8d874f00df1dfd9112e7b3 [0,0,0,0,0,2|2,0,0]=4 4825 B13R1.44 CCOCC(=O)Nc1cnccn1 e3b8ec6d366c412a58a98250f7787c11 [0,0,0,0,0,2|2,0,0]=4 4826 B13R1.44 CCSCC(=O)Nc1ccccn1 7aef7f6cae8f6912bdf4e4eb165f0835 [0,0,0,0,0,2|2,0,0]=4 4827 B13R1.44 CCSCC(=O)Nc1cccnc1 96974b8a9dc6abd665344267b364c088 [0,0,0,0,0,2|2,0,0]=4 4828 B13R1.44 CCSCC(=O)Nc1cccnn1 14cc4821090dbc83251016d70257842e [0,0,0,0,0,2|2,0,0]=4 4829 B13R1.44 CCSCC(=O)Nc1ccncn1 fcf379dd2356bdab1170e443836fae81 [0,0,0,0,0,2|2,0,0]=4 4830 B13R1.44 CCSCC(=O)Nc1cnccn1 a70e3d2b304f8c1f5fd03ae9ccc75f83 [0,0,0,0,0,2|2,0,0]=4 4831 B13R1.44 COCCC(=O)Nc1ccccn1 54cb6e078964efb01053f49353e285d9 [0,0,0,0,0,2|2,0,0]=4 4832 B13R1.44 COCCC(=O)Nc1cccnc1 c0e86c5f1058167b79a0021db6e11b0f [0,0,0,0,0,2|2,0,0]=4 4833 B13R1.44 COCCC(=O)Nc1cccnn1 74e29e93f1b7414c5c54491d7ccfe5a3 [0,0,0,0,0,2|2,0,0]=4 4834 B13R1.44 COCCC(=O)Nc1ccncn1 79a833540d921cb525736b191096f004 [0,0,0,0,0,2|2,0,0]=4 4835 B13R1.44 COCCC(=O)Nc1cnccn1 41f090ac098fa91efed6973ff0a1de5f [0,0,0,0,0,2|2,0,0]=4 4836 B13R1.44 CSCCC(=O)Nc1ccccn1 ea18ba1a3b11eb3deed195b8390f7cca [0,0,0,0,0,2|2,0,0]=4 4837 B13R1.44 CSCCC(=O)Nc1cccnn1 b7e9639573a2a54f9658e6b4de02b287 [0,0,0,0,0,2|2,0,0]=4 4838 B13R1.44 CSCCC(=O)Nc1ccncn1 db2545371e35609c018991f54762b828 [0,0,0,0,0,2|2,0,0]=4 4839 B13R1.44 CSCCC(=O)Nc1cnccn1 0e0145f02adefd17a227311c6da224ae [0,0,0,0,0,2|2,0,0]=4 4840 B13R1.44 O=C(CCCF)Nc1ccccc1 d24914e786e988f7c5e832ddffcd6bbe [0,0,0,0,0,2|2,0,0]=4 4841 B13R1.44 O=C(CCCF)Nc1ccccn1 f0e164293a4eae9d84ff4e48cbe2da1e [0,0,0,0,0,2|2,0,0]=4 4842 B13R1.44 O=C(CCCF)Nc1cccnc1 62c107150ab9c3977bcdae244a8c9362 [0,0,0,0,0,2|2,0,0]=4 4843 B13R1.44 O=C(CCCF)Nc1cccnn1 bcd29833c69157bc10bbab150c762e77 [0,0,0,0,0,2|2,0,0]=4 4844 B13R1.44 O=C(CCCF)Nc1ccncc1 3d1bbca0d049a121fde6cd0ea3a7655c [0,0,0,0,0,2|2,0,0]=4 4845 B13R1.44 O=C(CCCF)Nc1ccncn1 9063c3fb25e7375baa597233c6d43e4e [0,0,0,0,0,2|2,0,0]=4 4846 B13R1.44 O=C(CCCF)Nc1cnccn1 3e214073e3c6e45c498a894542e60512 [0,0,0,0,0,2|2,0,0]=4 4847 B13R1.44 O=C(CCCS)Nc1ccccc1 380b3e7a5178b3695a5f7b5b3962da03 [0,0,0,0,0,2|2,0,0]=4 4848 B13R1.44 O=C(CCCS)Nc1ccccn1 65a1cf8776056b4fe63c8370ae29e3e5 [0,0,0,0,0,2|2,0,0]=4 4849 B13R1.44 O=C(CCCS)Nc1cccnc1 3d3080871067eedb25254bc859df0bde [0,0,0,0,0,2|2,0,0]=4 4850 B13R1.44 O=C(CCCS)Nc1cccnn1 9137219c857f63754e41da7e81c8aa25 [0,0,0,0,0,2|2,0,0]=4 4851 B13R1.44 O=C(CCCS)Nc1ccncc1 5e9097443069ac1331f5ad54de0ea562 [0,0,0,0,0,2|2,0,0]=4 4852 B13R1.44 O=C(CCCS)Nc1ccncn1 9df6e9c6cf5571b25b12e8f41ae93ff2 [0,0,0,0,0,2|2,0,0]=4 4853 B13R1.44 O=C(CCCS)Nc1cnccn1 c73c312fc6c3c21925feeac05617410f [0,0,0,0,0,2|2,0,0]=4 4854 B13R1.153 C#CCCC(=O)NCc1ccco1 af31754411d1c286fa1501d53af607e7 [0,0,0,0,0,2|0,0,2]=4 4855 B13R1.153 C/C=C/CC(=O)NCc1ccco1 87aa3ef81df52f93f7995d6024ef670b [0,0,0,0,0,2|0,0,2]=4 4856 B13R1.153 C=CCCC(=O)NCc1ccco1 c8717c20077fe53c411042dc2392629f [0,0,0,0,0,2|0,0,2]=4 4857 B13R1.153 CC#CCC(=O)NCc1ccco1 d016d2b9e06a9033f8cf2461209f8a5c [0,0,0,0,0,2|0,0,2]=4 4858 B13R1.153 CC/C=C/C(=O)NCc1ccco1 0a37b0fa64af19bbaf5d54200241d440 [0,0,0,0,0,2|0,0,2]=4 4859 B13R1.153 CC/C=C\C(=O)NCc1ccco1 18b093842569ae0da6ff5a56b9daee8f [0,0,0,0,0,2|0,0,2]=4 4860 B13R1.153 CCC#CC(=O)NCc1ccco1 173a0d39f848d9e4ceb0953e866ae7c5 [0,0,0,0,0,2|0,0,2]=4 4861 B13R1.153 CCC=CC(=O)NCc1ccco1 5ccf0ce5aa5656bd42199fe075167ea3 [0,0,0,0,0,2|0,0,2]=4 4862 B13R1.153 CCCCC(=O)NCc1ccco1 c56d812f3eb38d98c110b7b096d943e4 [0,0,0,0,0,2|0,0,0]=2 4863 B13R1.153 CCCCC(=O)NCc1cccs1 43851b0ad5c7262249dfeaed369b82d1 [0,0,0,0,0,2|0,1,0]=3 4864 B13R1.153 CCCCC(=O)NCc1ccno1 9792ee989b8679bd4b6b9331f2171829 [0,0,0,0,0,2|1,0,0]=3 4865 B13R1.153 CCCCC(=O)NCc1ccns1 c0759cb5e0332196ecbfbed8d193e881 [0,0,0,0,0,2|1,1,0]=4 4866 B13R1.153 CCCCC(=O)NCc1ccoc1 d67aa364ef4e595d1b67d1c65daa56d3 [0,0,0,0,0,2|2,0,0]=4 4867 B13R1.153 CCCCC(=O)NCc1ccon1 2a7dbc7baad3dddfd8f228a54a7bd7d3 [0,0,0,0,0,2|2,0,0]=4 4868 B13R1.153 CCCCC(=O)NCc1ccsc1 0d6787b5e35ff17eeab8d73b162013dc [0,0,0,0,0,2|2,0,0]=4 4869 B13R1.153 CCCCC(=O)NCc1ccsn1 850bdfac2dfcf4f7693d1ed20138ef6c [0,0,0,0,0,2|2,0,0]=4 4870 B13R1.153 CCCCC(=O)NCc1cnco1 f4cb7c2836e89d76e576bc03fc47d19f [0,0,0,0,0,2|1,0,0]=3 4871 B13R1.153 CCCCC(=O)NCc1cncs1 a43816c3cedae13a43d4933c8967ffbe [0,0,0,0,0,2|1,1,0]=4 4872 B13R1.153 CCCCC(=O)NCc1cocn1 e3900cf138bf57f03bfd759bee4d752f [0,0,0,0,0,2|2,0,0]=4 4873 B13R1.153 CCCCC(=O)NCc1cscn1 d18e8fb112e532722c0e6a6ef4bdcae0 [0,0,0,0,0,2|2,0,0]=4 4874 B13R1.153 CCCCC(=O)NCc1ncco1 31b77032d8798b20c54128702b16e1ac [0,0,0,0,0,2|1,0,0]=3 4875 B13R1.153 CCCCC(=O)NCc1nccs1 d6ac6d6d010b2586df71a7b47470f523 [0,0,0,0,0,2|1,1,0]=4 4876 B13R1.153 CCCCC(C)NCc1ccco1 30d2fae65631f4a6ac2455e80ed856d4 [0,0,0,0,0,2|1,0,1]=4 4877 B13R1.153 CCCCC(C)OCc1ccco1 d74d5a696c609f49eff9c32cfcd24f79 [0,0,0,0,0,2|1,0,1]=4 4878 B13R1.153 CCCC[C@@H](C)NCc1ccco1 010818f275014b61d73a1b68c10f6525 [0,0,0,0,0,2|1,0,1]=4 4879 B13R1.153 CCCC[C@@H](C)OCc1ccco1 82c58dc8a590aa5482a7161f66940eca [0,0,0,0,0,2|1,0,1]=4 4880 B13R1.153 CCCC[C@H](C)OCc1ccco1 26ad77f09ad31dbba331b22721bcc833 [0,0,0,0,0,2|1,0,1]=4 4881 B13R1.153 CCCNC(=O)/C=C/c1ccco1 3bc2adb43286ec04d62b5ad32f9c3150 [0,0,0,0,0,2|1,0,0]=3 4882 B13R1.153 CCCNC(=O)/C=C/c1cccs1 d8347aa3453de588c7ef28b5e8a9dbfd [0,0,0,0,0,2|1,1,0]=4 4883 B13R1.153 CCCNC(=O)/C=C\c1cccs1 66216fdeea7347caac3a7310451ed273 [0,0,0,0,0,2|1,1,0]=4 4884 B13R1.153 CCCNC(=O)C#Cc1ccco1 1cb3af4556d499de2c1cf3e8680638be [0,0,0,0,0,2|1,0,0]=3 4885 B13R1.153 CCCNC(=O)C#Cc1cccs1 ea2117974d87f7b3136b116aaf650b81 [0,0,0,0,0,2|1,1,0]=4 4886 B13R1.153 CCCNC(=O)C=Cc1ccco1 7505eaa1f197a94405aae43b6758d9b0 [0,0,0,0,0,2|1,0,0]=3 4887 B13R1.153 CCCNC(=O)C=Cc1cccs1 034680a744ed750ad470c7325060f71d [0,0,0,0,0,2|1,1,0]=4 4888 B13R1.153 CCCNC(=O)CCc1ccco1 d79bc93f6d236d9a89ef18b05291211f [0,0,0,0,0,2|1,0,0]=3 4889 B13R1.153 CCCNC(=O)CCc1cccs1 9ea048483b2b87060c201110a626302d [0,0,0,0,0,2|1,1,0]=4 4890 B13R1.153 CCCNC(=O)CCc1ccno1 54beea654ca3483193eb6219670ae961 [0,0,0,0,0,2|2,0,0]=4 4891 B13R1.153 CCCNC(=O)CNc1ccco1 2ec1621586551189f725d33fb3fb2d09 [0,0,0,0,0,2|1,0,0]=3 4892 B13R1.153 CCCNC(=O)CNc1cccs1 ed7dc6cffd693321b1bdaf0eb10cd83e [0,0,0,0,0,2|1,1,0]=4 4893 B13R1.153 CCCNC(=O)CNc1ccno1 ff8518d7bb32c63208f8a4f0260dbe4f [0,0,0,0,0,2|2,0,0]=4 4894 B13R1.153 CCCNC(=O)CNc1ncco1 81d1f429776446286a75a6c3832a50d7 [0,0,0,0,0,2|2,0,0]=4 4895 B13R1.153 CCCNC(=O)COc1ccco1 1de977b7772a86b5352e455d65a7568e [0,0,0,0,0,2|1,0,0]=3 4896 B13R1.153 CCCNC(=O)COc1cccs1 276ce9b861a0cec82c14c79b46e24e04 [0,0,0,0,0,2|1,1,0]=4 4897 B13R1.153 CCCNC(=O)CSc1cccs1 b7753623fe3435b2ca02e1bdae2a2165 [0,0,0,0,0,2|1,1,0]=4 4898 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 03fe330532bed3bdf89fbcd96ed4275c [0,0,0,0,0,2|2,0,0]=4 4899 B13R1.153 CCCNC(=O)NCc1ccco1 3533e8b2ccf498ce6895bad5fc19ed20 [0,0,0,0,0,2|1,0,0]=3 4900 B13R1.153 CCCNC(=O)NCc1cccs1 20dc0ca5d6cde26b0b140254a80c6b3e [0,0,0,0,0,2|1,1,0]=4 4901 B13R1.153 CCCNC(=O)NCc1ccno1 658a343266dbf57d71962408493be5dd [0,0,0,0,0,2|2,0,0]=4 4902 B13R1.153 CCCNC(=O)NCc1cnco1 3a1a574dce42c28c9a4b134125fcf624 [0,0,0,0,0,2|2,0,0]=4 4903 B13R1.153 CCCNC(=O)NCc1ncco1 aa7c5c146f5c9ac9302a16fd97d290a6 [0,0,0,0,0,2|2,0,0]=4 4904 B13R1.153 CCCNC(=S)NCc1ccco1 5906e5cd5a23f2580b82d060fce9506a [0,0,0,0,0,2|1,1,0]=4 4905 B13R1.153 CCCOC(=O)CNc1cccs1 1902cf16751b6526f9e31d967ffc5a9e [0,0,0,0,0,2|1,1,0]=4 4906 B13R1.153 CCCOC(=O)CNc1ccno1 67050e205fbaf921befb5b639d59c576 [0,0,0,0,0,2|2,0,0]=4 4907 B13R1.153 CCCOC(=O)CNc1ncco1 e5d00aa2da9cce7b59353c1e4a23a3fa [0,0,0,0,0,2|2,0,0]=4 4908 B13R1.153 CCCOC(=O)COc1ccco1 fe7b26681ee0c61f7b5bfeb9c1bd9783 [0,0,0,0,0,2|1,0,0]=3 4909 B13R1.153 CCCOC(=O)COc1cccs1 6b980485e01b92682ec65f0667e71e54 [0,0,0,0,0,2|1,1,0]=4 4910 B13R1.153 CCOCC(=O)NCc1ccco1 2b9e4fd9ee09a52202bbf354ae54cd56 [0,0,0,0,0,2|1,0,0]=3 4911 B13R1.153 CCOCC(=O)NCc1cccs1 dce24df265c6209b0aa88939e9acab99 [0,0,0,0,0,2|1,1,0]=4 4912 B13R1.153 CCOCC(=O)NCc1ccno1 214dd389f96c2f1b68b6d7d186354d83 [0,0,0,0,0,2|2,0,0]=4 4913 B13R1.153 CCOCC(=O)NCc1cnco1 7a6693407c170ea4626ed88ff19aa198 [0,0,0,0,0,2|2,0,0]=4 4914 B13R1.153 CCOCC(=O)NCc1ncco1 8e3d4c8dffab96bc85f1a892d7bfc439 [0,0,0,0,0,2|2,0,0]=4 4915 B13R1.153 CCSCC(=O)NCc1ccco1 195dc3ed24387829a50be6bf9aabb777 [0,0,0,0,0,2|1,0,0]=3 4916 B13R1.153 CCSCC(=O)NCc1cccs1 c0c4120dbb5a910ad6d1e97d119a6a74 [0,0,0,0,0,2|1,1,0]=4 4917 B13R1.153 CCSCC(=O)NCc1ccno1 0e672a201a6bb00fdb7f7dcab8fce5b4 [0,0,0,0,0,2|2,0,0]=4 4918 B13R1.153 CCSCC(=O)NCc1cnco1 b928dc162113f3d4f3bde8439f784717 [0,0,0,0,0,2|2,0,0]=4 4919 B13R1.153 CCSCC(=O)NCc1ncco1 4319ab6299bdb04b159cc1d30f1f367e [0,0,0,0,0,2|2,0,0]=4 4920 B13R1.153 COCCC(=O)NCc1ccco1 b1b4a3c180ea4b3b3a0be10e6189f174 [0,0,0,0,0,2|1,0,0]=3 4921 B13R1.153 COCCC(=O)NCc1cccs1 d89cda776f424abef0dd364fbb56eb5b [0,0,0,0,0,2|1,1,0]=4 4922 B13R1.153 COCCC(=O)NCc1ccno1 5bf8c61de507e2ce8f757f8113057c9a [0,0,0,0,0,2|2,0,0]=4 4923 B13R1.153 COCCC(=O)NCc1cnco1 11180520a28862ec0d1bc1906c3aef3e [0,0,0,0,0,2|2,0,0]=4 4924 B13R1.153 COCCC(=O)NCc1ncco1 ca0f0b7145e32dbef515b7dbf968389a [0,0,0,0,0,2|2,0,0]=4 4925 B13R1.153 CSCCC(=O)CNc1cccs1 5cfe97cd77fee35d66e9c9a634c34bfc [0,0,0,0,0,2|1,1,0]=4 4926 B13R1.153 CSCCC(=O)CNc1ccno1 e259453a06185d517d45e7451b3fb25f [0,0,0,0,0,2|2,0,0]=4 4927 B13R1.153 CSCCC(=O)CNc1ncco1 bb42788931a83bdf29217a210f5b9ee2 [0,0,0,0,0,2|2,0,0]=4 4928 B13R1.153 CSCCC(=O)COc1ccco1 3546c655e444a3ad6e962929d8dacb97 [0,0,0,0,0,2|1,0,0]=3 4929 B13R1.153 CSCCC(=O)COc1cccs1 0665d9acb1f9322186b8da24d0c70753 [0,0,0,0,0,2|1,1,0]=4 4930 B13R1.153 CSCCC(=O)NCc1ccco1 f533cd0d44c3031a638b2d05125859ac [0,0,0,0,0,2|1,0,0]=3 4931 B13R1.153 CSCCC(=O)NCc1cccs1 66fc11fc7e91d40f3c88ec47fc0603f3 [0,0,0,0,0,2|1,1,0]=4 4932 B13R1.153 CSCCC(=O)NCc1ccno1 ccef722f350f859c9e401a47bbce95db [0,0,0,0,0,2|2,0,0]=4 4933 B13R1.153 CSCCC(=O)NCc1cnco1 269de882154db59e6ac003d30dccfee4 [0,0,0,0,0,2|2,0,0]=4 4934 B13R1.153 CSCCC(=O)NCc1ncco1 f77dbd8f01252e77b6d7c801d7d7f0eb [0,0,0,0,0,2|2,0,0]=4 4935 B13R1.153 CSSCC(=O)NCc1ccco1 60c67644a2d9d7d0c003b1b7264d72b4 [0,0,0,0,0,2|2,0,0]=4 4936 B13R1.153 N#CCCC(=O)NCc1ccco1 f060c05cd37e6affedbdaf3c5f75cf10 [0,0,0,0,0,2|1,0,1]=4 4937 B13R1.153 NCCNC(=O)NCc1ccco1 24ce4ca81884f20e2b7a4f0c1d2b823d [0,0,0,0,0,2|2,0,0]=4 4938 B13R1.153 O=C(/C=C/c1ccco1)NCCBr 600d36f9d80e6976f51618a86c333337 [0,0,0,0,0,2|2,0,0]=4 4939 B13R1.153 O=C(/C=C/c1ccco1)NCCF 366e7249cb2262ed83650bc618f272b2 [0,0,0,0,0,2|2,0,0]=4 4940 B13R1.153 O=C(/C=C/c1ccco1)NCCI 2d1910804776502c362fe328aeda8d6e [0,0,0,0,0,2|2,0,0]=4 4941 B13R1.153 O=C(/C=C/c1ccco1)NCCO cbe34d3013568a2c049e3bd487e21f76 [0,0,0,0,0,2|2,0,0]=4 4942 B13R1.153 O=C(/C=C/c1ccco1)NCCS eb55a7accc6fd2cc0d7ce6b6f1aed380 [0,0,0,0,0,2|2,0,0]=4 4943 B13R1.153 O=C(C#Cc1ccco1)NCCBr 39cb953f380cd59c000dd2cefe28ef14 [0,0,0,0,0,2|2,0,0]=4 4944 B13R1.153 O=C(C#Cc1ccco1)NCCF 5bbb781483f4a310515fc2937b980c8f [0,0,0,0,0,2|2,0,0]=4 4945 B13R1.153 O=C(C#Cc1ccco1)NCCI 242e7cb692e47b502923f20d92611fab [0,0,0,0,0,2|2,0,0]=4 4946 B13R1.153 O=C(C#Cc1ccco1)NCCO 0e766a684b604afbe905fd53636af5b2 [0,0,0,0,0,2|2,0,0]=4 4947 B13R1.153 O=C(C#Cc1ccco1)NCCS 54d699fd38a9a139a770a217bb28f7f8 [0,0,0,0,0,2|2,0,0]=4 4948 B13R1.153 O=C(C=Cc1ccco1)NCCBr 24ba49c368035b1d26d18535060164bc [0,0,0,0,0,2|2,0,0]=4 4949 B13R1.153 O=C(C=Cc1ccco1)NCCF 2036e3a7840e7595ea15a0dd6e44b48f [0,0,0,0,0,2|2,0,0]=4 4950 B13R1.153 O=C(C=Cc1ccco1)NCCI 65d081b044fa25d3732e39075d099ff7 [0,0,0,0,0,2|2,0,0]=4 4951 B13R1.153 O=C(C=Cc1ccco1)NCCO 3ce8625c42f007c01ca6c573a42aaa7a [0,0,0,0,0,2|2,0,0]=4 4952 B13R1.153 O=C(C=Cc1ccco1)NCCS e76f4a351eaf0df3cc51f25a4b0b04c9 [0,0,0,0,0,2|2,0,0]=4 4953 B13R1.153 O=C(CCCF)NCc1ccco1 a5d9919323832ecf8598ef7c0cb18e45 [0,0,0,0,0,2|1,0,0]=3 4954 B13R1.153 O=C(CCCF)NCc1cccs1 e999f3ec7e72f0e3dffa4dcf8035a5ce [0,0,0,0,0,2|1,1,0]=4 4955 B13R1.153 O=C(CCCF)NCc1ccno1 1f4fd243123323e0f95152ebb759e4cb [0,0,0,0,0,2|2,0,0]=4 4956 B13R1.153 O=C(CCCF)NCc1cnco1 432cec6003d1ea351bc8ac5b571efcb7 [0,0,0,0,0,2|2,0,0]=4 4957 B13R1.153 O=C(CCCF)NCc1ncco1 bede8a85f6720da3fc4e842b34c47230 [0,0,0,0,0,2|2,0,0]=4 4958 B13R1.153 O=C(CCCS)NCc1ccco1 2b2fb45b449c702aef57ca32bc0ea045 [0,0,0,0,0,2|1,0,0]=3 4959 B13R1.153 O=C(CCCS)NCc1cccs1 9613c37f74f6696c136fd4415db199f3 [0,0,0,0,0,2|1,1,0]=4 4960 B13R1.153 O=C(CCCS)NCc1ccno1 95bd19659142ea93a910841e53d8dbe0 [0,0,0,0,0,2|2,0,0]=4 4961 B13R1.153 O=C(CCCS)NCc1cnco1 cde656b8169990e311c696d828656803 [0,0,0,0,0,2|2,0,0]=4 4962 B13R1.153 O=C(CCCS)NCc1ncco1 5c75c6fa6c4a5eda09421369efa516c7 [0,0,0,0,0,2|2,0,0]=4 4963 B13R1.153 O=C(CCc1ccco1)NCCBr 96c97c300c60fbc62765fb3d6cb77139 [0,0,0,0,0,2|2,0,0]=4 4964 B13R1.153 O=C(CCc1ccco1)NCCF 1ffd8f2a4e46969ca6c2f45cda2eabf1 [0,0,0,0,0,2|2,0,0]=4 4965 B13R1.153 O=C(CCc1ccco1)NCCI 45e14f1ff04481353e51788c10f2416b [0,0,0,0,0,2|2,0,0]=4 4966 B13R1.153 O=C(CCc1ccco1)NCCO 06135e71b9c4ba3d58c307fe2befbff0 [0,0,0,0,0,2|2,0,0]=4 4967 B13R1.153 O=C(CCc1ccco1)NCCS 15112a2c620720c1b2986afe8f4d8c04 [0,0,0,0,0,2|2,0,0]=4 4968 B13R1.153 O=C(CNc1ccco1)NCCO 326e3e63424a0d356b75f996d27b042b [0,0,0,0,0,2|2,0,0]=4 4969 B13R1.153 O=C(NCCF)NCc1ccco1 51915c9e80238393e8ee4814781e2dac [0,0,0,0,0,2|2,0,0]=4 4970 B13R1.153 O=C(NCCO)NCc1ccco1 e63bc8068a44e0fe7f25640a1b052a63 [0,0,0,0,0,2|2,0,0]=4 4971 B13R1.153 O=C(NCCS)NCc1ccco1 3337cecbc2a5e4ac299a8b3f059177dd [0,0,0,0,0,2|2,0,0]=4 4972 B13R1.153 O=CCCC(=O)NCc1ccco1 0cb95f2c811bfcdda34d3815456aeb99 [0,0,0,0,0,2|1,0,1]=4