0 B12R2.252 CC(=O)N1Cc2ncsc2C1 ff81d647c11ca455e6bf84962a87c476 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.15 O=CN1Cc2ncsc2C1 355fd76f3d22cd6151d46a9dd0f855a5 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.531 O=C(CO)N1Cc2ncsc2C1 dcfe90e75f4c81ca13ff5e750ab8ccfc [0,1,0,0,0,0|2,0,1]=4 3 B11R1.35 C=C(Br)C(=O)Nc1cscn1 0c08f9f42520f9692c4ad3dc63ff8ec5 [0,0,1,0,0,0|3,0,0]=4 4 B11R1.35 C=C(C)C(=O)Nc1cscn1 12b1006de1d4e552dc43ecdeeac8ab8e [0,0,1,0,0,0|3,0,0]=4 5 B11R1.35 C=C(Cl)C(=O)Nc1cscn1 053fcf647b542be962ca63c8078dfe77 [0,0,1,0,0,0|3,0,0]=4 6 B11R1.35 C=C(F)C(=O)Nc1cscn1 21693cd8749b1c5f3fd79681d0810298 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.35 CC(=O)C(=O)Nc1ccsc1 3c7f2990328604f440dd607117739671 [0,0,1,0,0,0|3,0,0]=4 8 B11R1.35 CC(=O)C(=O)Nc1cncs1 694008bdce8d2e26fe2be5e9655a26bb [0,0,1,0,0,0|3,0,0]=4 9 B11R1.35 CC(=O)C(=O)Nc1cocn1 5295045455e85875580c215077356818 [0,0,1,0,0,0|2,1,0]=4 10 B11R1.35 CC(=O)C(=O)Nc1cscn1 4e42f05428f03685d53c5526680f96bb [0,0,1,0,0,0|2,0,0]=3 11 B11R1.35 CC(=O)C(C)Nc1cscn1 1782a2ac16f7b60d8d8280c635128f5a [0,0,1,0,0,0|1,0,2]=4 12 B11R1.35 CC(Nc1cscn1)C(=O)N 95d2186d8d23c121460221b66ecdc2fb [0,0,1,0,0,0|1,0,2]=4 13 B11R1.35 CC(O)C(=O)Nc1cscn1 d74808c59a3e458e4ee5c622d0b27841 [0,0,1,0,0,0|2,0,1]=4 14 B11R1.35 C[C@@H](Nc1cscn1)C(=O)N 224e8a67f9aef3262578769476998c0f [0,0,1,0,0,0|1,0,2]=4 15 B11R1.35 C[C@@H](O)C(=O)Nc1cscn1 c40eb5c8a281b2bef23137a567e9273c [0,0,1,0,0,0|2,0,1]=4 16 B11R1.35 C[C@H](Nc1cscn1)C(=O)N bf65e3b9c2adfb962b5bf416626c32c3 [0,0,1,0,0,0|1,0,2]=4 17 B11R1.35 C[C@H](O)C(=O)Nc1cscn1 78c218a6e11d91666267460624f49f16 [0,0,1,0,0,0|2,0,1]=4 18 B11R1.35 NC(=O)C(=O)Nc1cocn1 45573b656bb23115af1f8ee46df32e9b [0,0,1,0,0,0|2,1,0]=4 19 B11R1.35 NC(=O)C(=O)Nc1cscn1 22a6797a9a285e0b7f691604071b620c [0,0,1,0,0,0|2,0,0]=3 20 B11R1.35 NC(=O)C(F)Nc1cscn1 ff94a8f51f4a64f17061b562ea237a5e [0,0,1,0,0,0|2,0,1]=4 21 B11R1.35 O=C(Nc1cscn1)C(O)O de41fab44ffe164ae15a9e9111fb75f7 [0,0,1,0,0,0|1,0,2]=4 22 B11R1.90 Cc1ncsc1NCC(=O)O 23a180e40897b7b0e9ce0b672a350c2a [0,0,1,0,0,0|2,0,1]=4 23 B11R1.90 Cc1sccc1NCC(=O)O 1fa638d96901099aa3bbfba5f1bed4d0 [0,0,1,0,0,0|1,0,2]=4 24 B11R1.90 NC(=O)CNc1ncsc1Br bba45b92ab1ae10d28023d1be45104a0 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.124 CCNc1c[nH]c(c1)C(=O)O dccfae20b3cc76cce5c611da31db3fc8 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.124 CCNc1ccc([nH]1)C(=O)O 55f95bc72ed8cf0b7c8cfe58e1f7692e [0,0,1,0,0,0|1,0,2]=4 27 B11R1.124 O=C(O)c1cc(c[nH]1)NCF fe113b671133802a0380563834c5431f [0,0,1,0,0,0|2,0,1]=4 28 B11R1.124 O=C(O)c1cc(c[nH]1)NCO 341b8ac1125f3f15bbde278492067a47 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.124 O=C(O)c1ccc([nH]1)NCF 2abd77650feae958a898ee1db3c214ce [0,0,1,0,0,0|1,0,2]=4 30 B11R1.124 O=C(O)c1ccc([nH]1)NCO 1db329be575638887febdf86863cb671 [0,0,1,0,0,0|0,1,2]=4 31 B13R2.543 O=C(O)CN1Cc2ncsc2C1 dbaa3d3372774f30f6df4783f012f22b [0,0,0,0,0,1|2,0,1]=4 32 B10R1.27 C=CC(=O)Nc1cscn1 7e5c98617963c5b4d19c9b6f6d117a97 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.27 CC(C=O)Nc1cscn1 2da053de65a74576e2262a4cc3b40abc [1,0,1,0,0,0|0,0,2]=4 34 B10R1.27 C[C@H](C=O)Nc1cscn1 7d3dc5f92d4507eefd33615c83de3310 [1,0,1,0,0,0|0,0,2]=4 35 B10R1.27 O=C(CO)Nc1cscn1 f4efd7ec88f4e763e5248af5d0ca15cb [1,0,1,0,0,0|1,0,1]=4 36 B10R1.27 O=CC(=O)Nc1ccsc1 47b93929722efd298d1fc95f1c4abc54 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.27 O=CC(=O)Nc1cncs1 4e0c1cac2b89183468bc023d35046e84 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.27 O=CC(=O)Nc1cocn1 1fb3a57e96a512747f9735b6942649ab [1,0,1,0,0,0|1,1,0]=4 39 B10R1.27 O=CC(=O)Nc1cscn1 bebe5a412238edd694943fa3fab21dd8 [1,0,1,0,0,0|1,0,0]=3 40 B10R1.66 CC(=O)CNc1cscn1 482c21989e7459cf1cfac3954fb324f0 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.66 NC(=O)CNc1cscn1 69ae87ec27c5df6a6e1ae9a3c6120e24 [1,0,1,0,0,0|1,0,1]=4 42 B10R1.66 O=C(O)CNc1ccsc1 c844ee29c143c2527480ec93d2f5fc5f [1,0,1,0,0,0|1,0,1]=4 43 B10R1.66 O=C(O)CNc1cncs1 a857a27f873c3d80f04b7345ceefb23b [1,0,1,0,0,0|1,0,1]=4 44 B10R1.66 O=C(O)CNc1cocn1 a8c539d2b48144c59d381afebd90d7fe [1,0,1,0,0,0|0,1,1]=4 45 B10R1.66 O=C(O)CNc1cscn1 6412361c6df5c58a950b702f8eef61ac [1,0,1,0,0,0|0,0,1]=3 46 B10R1.29 O=CCNc1ncsc1Br 6400f6296a43d170b6b063f3114bae49 [1,0,1,0,0,0|1,0,1]=4 47 B12R1.108 C/C=C(\O)/C(=O)Nc1cscn1 0486ac354624ba019e18bda916b839c1 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.108 C=C(CO)C(=O)Nc1cscn1 a0cfd49ad546ab43cfa8e80f4ec02a23 [0,1,1,0,0,0|2,0,0]=4 49 B12R1.108 C=CC(=O)C(=O)Nc1cscn1 2794ceae8d67a5a8f58e23b3a764bc6c [0,1,1,0,0,0|2,0,0]=4 50 B12R1.108 CCC(=O)C(=O)Nc1cscn1 db6dc62fe4f69d4a769474d4c91d9953 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.108 CNC(=O)C(=O)Nc1cscn1 ec6f03d931e2d42b3ce8fcf8b894baae [0,1,1,0,0,0|2,0,0]=4 52 B12R1.108 COC(=O)C(=O)Nc1ccsc1 dbd9f8a8379596aedc21a9cf71ebef9c [0,1,1,0,0,0|2,0,0]=4 53 B12R1.108 COC(=O)C(=O)Nc1cncs1 d2ceebd0c1cf0c57d2db81f6ac88a885 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.108 COC(=O)C(=O)Nc1cocn1 40fe55d1cc15ec9f8839cbf5815795df [0,1,1,0,0,0|1,1,0]=4 55 B12R1.108 COC(=O)C(=O)Nc1cscn1 ac1ee636369a27a29d9e1fdba51c98a8 [0,1,1,0,0,0|1,0,0]=3 56 B12R1.108 COC(=O)C(C)Nc1cscn1 7348e859c3868d48ef40094557f50c15 [0,1,1,0,0,0|0,0,2]=4 57 B12R1.108 COC(=O)[C@@H](C)Nc1cscn1 02bcf75853fbea4e6fe086dc6f87c231 [0,1,1,0,0,0|0,0,2]=4 58 B12R1.108 COC(=O)[C@H](C)Nc1cscn1 d506ffe8638ec2cd841cc4b10e722d7c [0,1,1,0,0,0|0,0,2]=4 59 B12R1.108 O=C(CS)C(=O)Nc1cscn1 f58934cd314a063c7b548a15ae226bf6 [0,1,1,0,0,0|1,1,0]=4 60 B12R1.298 CCC(Nc1cscn1)C(=O)O 4971cf37ccb80a0752ad1ac8cd60ded8 [0,1,1,0,0,0|0,0,2]=4 61 B12R1.298 CC[C@@H](Nc1cscn1)C(=O)O b509e4c132a442c6157a59ecbcb517f2 [0,1,1,0,0,0|0,0,2]=4 62 B12R1.298 CC[C@H](Nc1cscn1)C(=O)O 7323bbde9129286909028643a1c802c3 [0,1,1,0,0,0|0,0,2]=4 63 B12R1.298 O=C(O)C(CF)Nc1cscn1 ba765233a8b64bdf8f7a5bea103484f4 [0,1,1,0,0,0|0,0,2]=4 64 B12R1.298 O=C(O)[C@H](CO)Nc1cscn1 bc7fce9f366442569ae12cf624e59d5b [0,1,1,0,0,0|0,0,2]=4 65 B12R1.81 O=Cc1sccc1NCC(=O)O 64717200e6c176fc944698d6186e1181 [0,1,1,0,0,0|1,0,1]=4 66 B12R1.353 COC(=O)CNc1ncsc1Br d28e3fd8c9f55b72941717dd54d467cd [0,1,1,0,0,0|1,0,1]=4 67 B12R1.353 O=C(CO)CNc1ncsc1Br da04e1d9af6ce323805e35a8b1d90db7 [0,1,1,0,0,0|1,0,1]=4 68 B12R1.337 C=CCNc1c[nH]c(c1)C(=O)O 9eee3f2083f3edf52ee6c28304a618ac [0,1,1,0,0,0|2,0,0]=4 69 B12R1.337 C=CCNc1ccc([nH]1)C(=O)O 5fc52f1cd07f55a801759768e0a6b267 [0,1,1,0,0,0|1,0,1]=4 70 B12R1.337 CSCNc1ccc([nH]1)C(=O)O 2077db40b04530190a8deb9c84ca80b4 [0,1,1,0,0,0|0,0,2]=4 71 B12R1.337 O=C(O)c1ccc([nH]1)NCCS 1c83974467de7f746dddb7a8b22c5cc4 [0,1,1,0,0,0|0,0,2]=4 72 B12R1.337 O=CCNc1c[nH]c(c1)C(=O)O ff0eef194a5705a592714a2c9b551cdd [0,1,1,0,0,0|2,0,0]=4 73 B12R1.337 O=CCNc1ccc([nH]1)C(=O)O f94a89a2d09a33c2c8513c201a6149c8 [0,1,1,0,0,0|0,1,1]=4 74 B12R1.260 CC(=O)CC(=O)Nc1cscn1 6af3f93953080fca467f55fd3139e450 [0,0,1,0,0,1|2,0,0]=4 75 B12R1.260 CC(CC(=O)O)Nc1cscn1 7407ce7ba0e7a09b1f54af98422c07dc [0,0,1,0,0,1|0,0,2]=4 76 B12R1.260 NC(=O)CC(=O)Nc1cscn1 b7a23719dd48c09194b2d1ed9d24fcf9 [0,0,1,0,0,1|2,0,0]=4 77 B12R1.264 C=C(CNc1cc[nH]n1)C(=O)O 5c05f6937ab60af5ecac313f78d92b9c [0,0,1,0,0,1|2,0,0]=4 78 B12R1.264 C=C(CNc1cccs1)C(=O)O 101ab96d3c55e1db83755fb149265590 [0,0,1,0,0,1|2,0,0]=4 79 B12R1.264 C=C(CNc1ccon1)C(=O)O cf802f07804bc53a08c0e9773f766c3d [0,0,1,0,0,1|2,0,0]=4 80 B12R1.264 C=C(CNc1ccsc1)C(=O)O cc2521362d2d776635866efde92ed6e5 [0,0,1,0,0,1|1,0,0]=3 81 B12R1.264 C=C(CNc1cncs1)C(=O)O 341b70d4fc2248fa7557a9671de65a11 [0,0,1,0,0,1|1,0,1]=4 82 B12R1.264 C=C(CNc1cnon1)C(=O)O eafd1070017fd7c3bd34ce605b96ba34 [0,0,1,0,0,1|2,0,0]=4 83 B12R1.264 C=C(CNc1cocn1)C(=O)O 24eb9e77ccdad66d970fee86bd269544 [0,0,1,0,0,1|0,1,0]=3 84 B12R1.264 C=C(CNc1cscn1)C(=O)O 23674b3bcb98fdae1b42b2403f94f3ef [0,0,1,0,0,1|0,0,0]=2 85 B12R1.264 C=C(CNc1nc[nH]n1)C(=O)O dc1a96ea87ff28b57dec57d2de23d52e [0,0,1,0,0,1|2,0,0]=4 86 B12R1.264 C=C(CNc1ncc[nH]1)C(=O)O 37193fc1fe7bfb1723e8d95651422c99 [0,0,1,0,0,1|2,0,0]=4 87 B12R1.264 C=C(CNc1ncco1)C(=O)O 4fa04f972b54387c2d0fde79d49d2576 [0,0,1,0,0,1|2,0,0]=4 88 B12R1.264 C=C(CNc1nccs1)C(=O)O c5411e5c52ac12b644a633c65ca9b188 [0,0,1,0,0,1|2,0,0]=4 89 B12R1.264 C=C(CNc1ncns1)C(=O)O 2aefcae11ce4f82ded345e088b111f26 [0,0,1,0,0,1|2,0,0]=4 90 B12R1.264 C=C(CNc1ncon1)C(=O)O 5cba637634e456e8a5a9eb28c8d6dc48 [0,0,1,0,0,1|1,1,0]=4 91 B12R1.264 C=C(COc1c[nH]cn1)C(=O)O 23fdd592fbcbf778fca7ed0c347e9144 [0,0,1,0,0,1|2,0,0]=4 92 B12R1.264 C=C(COc1ccsc1)C(=O)O 172d8177ef5a4af6d05a78456472af4f [0,0,1,0,0,1|2,0,0]=4 93 B12R1.264 CC(=O)C(=O)CNc1cscn1 551644b49fc539e776cae746687ba25f [0,0,1,0,0,1|2,0,0]=4 94 B12R1.264 CC(=O)C(=O)NCc1cscn1 b0719055f900e76838ef8a1fbd98f1c3 [0,0,1,0,0,1|2,0,0]=4 95 B12R1.264 CC(CNc1cscn1)C(=O)O caf9e76e1b5a5d5ea4f8253db8746ea5 [0,0,1,0,0,1|0,0,2]=4 96 B12R1.264 CC(NCc1cscn1)C(=O)O 5122a0aa4b4e7463bd2452f764ab7654 [0,0,1,0,0,1|0,0,2]=4 97 B12R1.264 C[C@@H](NCc1cscn1)C(=O)O a502778873f4bd841b4f8ec2889df571 [0,0,1,0,0,1|0,0,2]=4 98 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 2e81da56e2f15eba8930b3089c8e657d [0,0,1,0,0,1|0,0,2]=4 99 B12R1.264 NC(=O)C(=O)NCc1cscn1 f6ece97d2bfb9ebeccd3fb6ac423cb6e [0,0,1,0,0,1|2,0,0]=4 100 B12R1.264 O=C(O)C(=O)CNc1ccsc1 8428554e960bc187bc1030b4a3d4138f [0,0,1,0,0,1|2,0,0]=4 101 B12R1.264 O=C(O)C(=O)CNc1cncs1 ad78f4ed3b4b37c1322184be750697df [0,0,1,0,0,1|1,0,1]=4 102 B12R1.264 O=C(O)C(=O)CNc1cocn1 4899f746ab3785f55a773c63e494c41a [0,0,1,0,0,1|1,1,0]=4 103 B12R1.264 O=C(O)C(=O)CNc1cscn1 c5f75aff9b38b8ebf815d59527a580db [0,0,1,0,0,1|1,0,0]=3 104 B12R1.264 O=C(O)C(O)CNc1cscn1 fe9e9990a6b8f1025608d830bb8febd8 [0,0,1,0,0,1|1,0,1]=4 105 B12R1.264 O=C(O)C(O)NCc1cscn1 5808dde616b51074a3f126940a1fe4ee [0,0,1,0,0,1|1,0,1]=4 106 B12R1.264 O=C(O)[C@@H](O)CNc1cscn1 5d2648181e11a5f5fada8c128d5da88d [0,0,1,0,0,1|1,0,1]=4 107 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 319f93c5fee8975157a4ec069eca8ba5 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 cb4c153e041d5dc4805e8fc579af9037 [0,0,0,0,0,2|2,0,0]=4