0 B9R1.6 CC(=O)N1CC=CCC1 941519b4d56d0edbf71c96ca78449316 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,1,0,0,0,0|3,0,0]=4 2 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,1,0,0,0,0|2,0,0]=3 3 B10R1.15 CCN(C)c1nccnn1 1e7db70c44a1fbbd9523378dfbbdb889 [0,1,0,0,0,0|3,0,0]=4 4 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.15 CN(C=O)c1cccnn1 bb6c9a4d3ed3a56597c0fa4d221ca30b [0,1,0,0,0,0|3,0,0]=4 7 B10R1.15 CN(C=O)c1ccncn1 559e04860b4b657b48b2febe0788a499 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.15 CN(C=O)c1ccnnc1 e2ebf1a31d3d52b6cc6cfffa8c5ad13e [0,1,0,0,0,0|3,0,0]=4 9 B10R1.15 CN(CF)c1ccccn1 1bdd19ff0d205b3af825ce3149dae35a [0,1,0,0,0,0|3,0,0]=4 10 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.15 CN(CF)c1cnccn1 a9fa5c6bd903856b36188b1f0c8b1c0b [0,1,0,0,0,0|2,0,0]=3 12 B10R1.15 CN(CF)c1nccnn1 f4a791a4ef58a436a884994b50b441f6 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,1,0,0,0,0|2,0,1]=4 15 B10R1.15 CN(CO)c1cnccn1 789c6aa6696e30e272870a4861e371ee [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 CN(CO)c1nccnn1 0728cf3a3b28771d5a527d99cb863b03 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [0,0,0,0,1,0|2,0,1]=4 18 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,0,0,0,0,1|1,0,0]=2 19 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,0,0,0,0,1|1,0,0]=2 20 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [0,0,0,0,0,1|3,0,0]=4 22 B10R1.18 CC(=O)Nc1ccncn1 21d9a226b27ccfaa0b4194dd907a60f4 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,0,0,0,0,1|0,0,0]=1 25 B10R1.18 CC(C)Nc1ccccn1 8f41ba2831fdc97ef841b17526dcf604 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [0,0,0,0,0,1|2,0,1]=4 27 B10R1.18 CC(C)Nc1cnccn1 58156a1e8faa75eacf930a892d9c44a0 [0,0,0,0,0,1|1,0,1]=3 28 B10R1.18 CC(C)Nc1cnncn1 00c822f77f4b25d3559c239bdf91bd98 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.18 CC(C)Nc1nccnn1 9d7094c1641b452d6a07a9ee90930c9f [0,0,0,0,0,1|2,0,1]=4 30 B10R1.18 CC(C)Oc1ccccn1 0855bdc27823287e98107cda25a8e4de [0,0,0,0,0,1|2,0,1]=4 31 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [0,0,0,0,0,1|2,0,1]=4 32 B10R1.18 CC(C)Oc1cnccn1 f445429d4d0106398179ba53f8ca2052 [0,0,0,0,0,1|1,0,1]=3 33 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,1,0,0,0,0|1,0,1]=4 34 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.8 CCNc1cnncn1 f82c088077ae7696bce842278215e142 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.8 CCNc1nccnn1 de6c00a96ec865d94fb0210d389d00df [1,1,0,0,0,0|1,0,1]=4 38 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,1,0,0,0,0|1,0,1]=4 39 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,1,0,0,0,0|1,0,1]=4 40 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,1,0,0,0,0|0,0,1]=3 41 B9R1.8 CCOc1cncnn1 c9814c00ede749a4f13c3c62d7c87882 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.8 FCNc1cnccn1 3cbe94cf9594c68ec8b94825e8905ed8 [1,1,0,0,0,0|1,0,0]=3 45 B9R1.8 FCNc1cnncn1 cf2d60d09353e5fe601cde13f44f37dd [1,1,0,0,0,0|2,0,0]=4 46 B9R1.8 FCNc1nccnn1 788eab52e13fe2478809d0633ccc75ce [1,1,0,0,0,0|2,0,0]=4 47 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [1,1,0,0,0,0|2,0,0]=4 48 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.8 FCOc1cnccn1 e656ed16372ac6d21dfc0a12172339fc [1,1,0,0,0,0|1,0,0]=3 50 B9R1.8 FCOc1cncnn1 8964926f5c2c34f2fd428ef92edcced4 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.8 O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [1,1,0,0,0,0|0,0,0]=2 57 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.8 OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.8 OCNc1cnncn1 f1d96bc5221288013fff015bb1f6294b [1,1,0,0,0,0|2,0,0]=4 61 B9R1.8 OCNc1nccnn1 d414fce0c658af23d2660939054119b2 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.11 CN(C=O)c1ccon1 948461c4b237b91a83f8b8dd0558ee15 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.11 CN(C=O)c1ccsc1 8f15e9acca9aeb51f07a52c03adb4c19 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.11 CN(C=O)c1cnoc1 e838d5458882aa345427776b1aae6b92 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.11 CN(C=O)c1ncco1 df93436003864182c95235dcf760a9ee [0,1,0,0,1,0|2,0,0]=4 66 B9R1.11 CN(C=O)c1nccs1 c41a5a41dc66ecd9157809060ed84b66 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [0,1,0,0,0,1|2,0,0]=4 69 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [0,1,0,0,0,1|2,0,0]=4 70 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [0,1,0,0,0,1|2,0,0]=4 71 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [0,1,0,0,0,1|2,0,0]=4 72 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.20 CC(=O)Nc1ccc(cn1)F 3f83a13c2f6c9200683a59445f5568b5 [0,1,0,0,0,1|1,0,0]=3 74 B11R1.20 CC(=O)Nc1ccc(cn1)I f69d5717020ba5469ac098b5ee595c2e [0,1,0,0,0,1|1,0,0]=3 75 B11R1.20 CC(=O)Nc1ccc(cn1)O 1774c40981e4bef395b20bb0cec3048d [0,1,0,0,0,1|1,0,0]=3 76 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.20 CC(=O)Nc1ccc(nc1)F d95b06008ed9858976947678a788c0d4 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.20 CC(=O)Nc1ccc(nc1)I 4875ca9d40de97c8bc9a2f1b043085ee [0,1,0,0,0,1|1,0,0]=3 79 B11R1.20 CC(=O)Nc1ccc(nn1)C 2db771cb7b1752060e5ab3d9558a55a5 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.20 CC(=O)Nc1ccc(nn1)F fc0d35190b7248272f72c3b72d04d6de [0,1,0,0,0,1|2,0,0]=4 81 B11R1.20 CC(=O)Nc1ccc(nn1)I 103ba66fdc9246aa4c61c11e7f6e8337 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.20 CC(=O)Nc1ccc(nn1)O 446c9b33355b6db90284ef3ae74ace6f [0,1,0,0,0,1|2,0,0]=4 83 B11R1.20 CC(=O)Nc1cnc(cn1)C 9e5149615a867d36276f957f71175a41 [0,1,0,0,0,1|0,0,0]=2 84 B11R1.20 CC(=O)Nc1cnc(cn1)I 21bc22ad112fe01077ff258cec8c3b14 [0,1,0,0,0,1|0,0,0]=2 85 B11R1.20 CC(C)Nc1cnc(cn1)Br 26fffbec766594256dcde64570cbc673 [0,1,0,0,0,1|1,0,1]=4 86 B11R1.20 CC(C)Nc1cnc(cn1)Cl 4ba16f1ce0f257859cc1f9ba0a86b78c [0,1,0,0,0,1|1,0,1]=4 87 B11R1.20 CC(C)Nc1cnc(cn1)I fd7d69d98edf876e2c615a37a4f4879b [0,1,0,0,0,1|1,0,1]=4 88 B11R1.20 CC(C)Oc1cnc(cn1)Br 91d4eb535db1ce7bf9be0fa4b9feb81e [0,1,0,0,0,1|1,0,1]=4 89 B11R1.20 CC(C)Oc1cnc(cn1)Cl 8f1446e401eb34f52484f721e9cf817f [0,1,0,0,0,1|1,0,1]=4 90 B11R1.20 CC(C)Oc1cnc(cn1)I 87b70644a91cf51d9b39023634698b9d [0,1,0,0,0,1|1,0,1]=4 91 B11R1.20 Cc1cnc(cn1)NC(C)C 62da4fafaa97ef8ba9f5acc424d10f86 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.20 Cc1cnc(cn1)OC(C)C 8ea0bf7b568631d6ecb8058cf1ff450a [0,1,0,0,0,1|1,0,1]=4 93 B11R1.36 CC(=O)N(C)c1ccccn1 3b204f817d8bae885450195e4bca3293 [0,1,0,0,0,1|1,0,0]=3 94 B11R1.36 CC(=O)N(C)c1cccnc1 99d370e4887dccbc66fa5e316a815456 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.36 CC(=O)N(C)c1cccnn1 019bdf2b41b50b3dc4c1fbd9a45824e4 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.36 CC(=O)N(C)c1ccncn1 669e7b6d0dcb129279d3d84513356b37 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.36 CC(=O)N(C)c1ccnnc1 7b7b0659475cefeb9f34385b51243dc3 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.36 CC(=O)N(C)c1cnccn1 7d8fc7dfc94af72e401da7941f18789c [0,1,0,0,0,1|0,0,0]=2 99 B11R1.40 C#CC(=O)Nc1ccccn1 c1462a2e7dbd34f49e0ec8b0b6e4c099 [0,1,0,0,0,1|1,0,1]=4 100 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,1,0,0,0,1|1,0,1]=4 101 B11R1.40 C#CC(=O)Nc1cnccn1 4b36f726c232f1d4ac2163b96818a611 [0,1,0,0,0,1|0,0,1]=3 102 B11R1.40 C#CC(C)Nc1cnccn1 0890d9b24b473fe758e6199edc8a0881 [0,1,0,0,0,1|1,0,1]=4 103 B11R1.40 C=CC(=O)Nc1ccccn1 34fef90711dfcaefc277492e72bbe936 [0,1,0,0,0,1|1,0,1]=4 104 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,1,0,0,0,1|1,0,1]=4 105 B11R1.40 C=CC(=O)Nc1cnccn1 0750844e1718f30f6356a67d8d5f5dcf [0,1,0,0,0,1|0,0,1]=3 106 B11R1.40 C=CC(=O)Nc1cnncn1 477a08f5c3fff0e6fa8330a98c5556cd [0,1,0,0,0,1|1,0,1]=4 107 B11R1.40 C=CC(C)Nc1cnccn1 2ce38d7c68482d190f46e4388093ba1c [0,1,0,0,0,1|1,0,1]=4 108 B11R1.40 C=CC(C)Oc1cnccn1 08abd798f6ac8d2321e8bf93d641b019 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.40 CC(C#N)Oc1cnccn1 00507718a19126ce3eaca95e14c1a595 [0,1,0,0,0,1|1,0,1]=4 110 B11R1.40 CC(C=O)Nc1ccccn1 f6323f482ea726d65853ab7cc1b45bb4 [0,1,0,0,0,1|1,0,1]=4 111 B11R1.40 CC(C=O)Nc1cccnc1 d9c7b2b4935781413d4a985313466b9b [0,1,0,0,0,1|1,0,1]=4 112 B11R1.40 CC(C=O)Nc1cnccn1 ca669a34fd29c06e16c362add7ff1bce [0,1,0,0,0,1|0,0,1]=3 113 B11R1.40 CC(C=O)Nc1cnncn1 7afdab668acf3336437739866a87e244 [0,1,0,0,0,1|1,0,1]=4 114 B11R1.40 CC(C=O)Nc1nccnn1 ea86f10a8f6cc169e55d9ea0db90cb26 [0,1,0,0,0,1|1,0,1]=4 115 B11R1.40 CC(C=O)Oc1ccccn1 6964fdd9e0bc6b530d4dd7a3a2376b4c [0,1,0,0,0,1|1,0,1]=4 116 B11R1.40 CC(C=O)Oc1cccnc1 e37888c7c991d828e39da1a6807dceaa [0,1,0,0,0,1|1,0,1]=4 117 B11R1.40 CC(C=O)Oc1cnccn1 e77f8a263c09c3973bbf702d318415d9 [0,1,0,0,0,1|0,0,1]=3 118 B11R1.40 CC(C=O)Oc1cncnn1 39760645ceef2315fc628b34cb9c1d9f [0,1,0,0,0,1|1,0,1]=4 119 B11R1.40 CC(CO)Nc1cnccn1 bca12c198f8b3dcf3474883c473e477a [0,1,0,0,0,1|0,0,2]=4 120 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,1,0,0,0,1|1,0,0]=3 121 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,1,0,0,0,1|1,0,0]=3 122 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.40 CCC(=O)Nc1ccncn1 b77f302a19ddecbb1a61c216faedf774 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,1,0,0,0,1|0,0,0]=2 125 B11R1.40 CCC(C)Nc1cnccn1 218f39b97d2fc8b56d7c106256492dff [0,1,0,0,0,1|1,0,1]=4 126 B11R1.40 CCC(C)Oc1cnccn1 259d43a94fcc1396cf4ed5279619bad5 [0,1,0,0,0,1|1,0,1]=4 127 B11R1.40 CCN(C)Cc1cnccn1 13139f85f2c80541c7a741660f0206e2 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.40 CN(C=O)Cc1ccccn1 e1588a36a59add4eaf224b7ea271ab51 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.40 CN(C=O)Cc1cccnc1 ffa035f03a82f49c9d004e6e7105924f [0,1,0,0,0,1|2,0,0]=4 130 B11R1.40 CN(C=O)Cc1cnccn1 b9f2001685a2ed99942d5f26418f6b7e [0,1,0,0,0,1|1,0,0]=3 131 B11R1.40 CN(CF)Cc1cnccn1 d828fc4f5274d45411baef854e240efe [0,1,0,0,0,1|2,0,0]=4 132 B11R1.40 CN(CO)Cc1cnccn1 2612be83cbdd1e0199b6ab3c39c473bd [0,1,0,0,0,1|1,0,1]=4 133 B11R1.40 C[C@@H](CO)Nc1cnccn1 54f606e098d7069b6301fbd7ff24023c [0,1,0,0,0,1|0,0,2]=4 134 B11R1.40 C[C@H](C=O)Nc1ccccn1 46e94b05d4e4c715a9e5400c929646b9 [0,1,0,0,0,1|1,0,1]=4 135 B11R1.40 C[C@H](C=O)Nc1cccnc1 fedeaeec69f602e704c38cd1adea1d8e [0,1,0,0,0,1|1,0,1]=4 136 B11R1.40 C[C@H](C=O)Nc1cnccn1 4c60062904b679381801663797286554 [0,1,0,0,0,1|0,0,1]=3 137 B11R1.40 C[C@H](C=O)Nc1cnncn1 92e53eadf6f207651d0f5373f51e5585 [0,1,0,0,0,1|1,0,1]=4 138 B11R1.40 C[C@H](C=O)Nc1nccnn1 8a6eac8913d6fda604ced570390d32e6 [0,1,0,0,0,1|1,0,1]=4 139 B11R1.40 C[C@H](C=O)Oc1ccccn1 0be2b7848388ea049450b4a9fa6678e7 [0,1,0,0,0,1|1,0,1]=4 140 B11R1.40 C[C@H](C=O)Oc1cccnc1 55db0365e7488258d11fe983dbcaf255 [0,1,0,0,0,1|1,0,1]=4 141 B11R1.40 C[C@H](C=O)Oc1cnccn1 b9a474b6d34bbaaa48c5d556feded984 [0,1,0,0,0,1|0,0,1]=3 142 B11R1.40 C[C@H](C=O)Oc1cncnn1 3fd0cefa5b71b50944d8a10821dc4903 [0,1,0,0,0,1|1,0,1]=4 143 B11R1.40 C[C@H](CO)Nc1cnccn1 ad67c5623bc833af0ed62e39411a7055 [0,1,0,0,0,1|0,0,2]=4 144 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,1,0,0,0,1|1,0,0]=3 145 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,1,0,0,0,1|1,0,0]=3 146 B11R1.40 O=C(CF)Nc1cccnn1 956ee4b8acdca6d1b3b267a9d3c5501e [0,1,0,0,0,1|2,0,0]=4 147 B11R1.40 O=C(CF)Nc1ccncn1 a44111f60632a2eea12e2d1d61934c5a [0,1,0,0,0,1|2,0,0]=4 148 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,1,0,0,0,1|0,0,0]=2 149 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,1,0,0,0,1|1,0,0]=3 150 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,1,0,0,0,1|1,0,0]=3 151 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.40 O=C(CO)Nc1ccncn1 1ec35e9ab589eb6ea004d772ff8dd3ef [0,1,0,0,0,1|2,0,0]=4 153 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,1,0,0,0,1|0,0,0]=2 154 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,1,0,0,0,1|1,0,0]=3 155 B11R1.40 O=C(CS)Nc1cccnn1 41f91dff9cbbc670e95242818cb16a37 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,1,0,0,0,1|0,0,0]=2 157 B11R1.40 O=CC(=O)Nc1ccccn1 9dee939f22a8949e3604743fdb4606fc [0,1,0,0,0,1|1,0,1]=4 158 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,1,0,0,0,1|1,0,1]=4 159 B11R1.40 O=CC(=O)Nc1cnccn1 1b4db28b2217e8524dd00b0444a0d0b1 [0,1,0,0,0,1|0,0,1]=3 160 B11R1.40 O=CC(=O)Nc1cnncn1 addbd8344343336269987401dd548dcc [0,1,0,0,0,1|1,0,1]=4 161 B11R1.86 CC(=O)Nc1ccccc1C 7049a69ccf4e362820a37d19b9dcdc8e [0,1,0,0,0,1|2,0,0]=4 162 B11R1.86 CC(=O)Nc1ccccc1F 8577dda07f10b24e878efc2b8c63979b [0,1,0,0,0,1|2,0,0]=4 163 B11R1.86 CC(=O)Nc1ccccc1I def7ccb67f6a04593a954aa370725476 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.86 CC(=O)Nc1ccccc1O e286e23dcc389b9a19e5097225c5ef71 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.86 CC(=O)Nc1ccccc1S 1242ce70ea265424048fd46add1f1131 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.86 CC(=O)Nc1cccnc1C cb746ed6a78728abfd09af911ecd9df1 [0,1,0,0,0,1|1,0,0]=3 167 B11R1.86 CC(=O)Nc1cccnc1Cl d6108d611ff0956d8f248587b24194a3 [0,1,0,0,0,1|1,0,0]=3 168 B11R1.86 CC(=O)Nc1cccnc1F 14d1358323375dfcd1ff37fd32da5eb9 [0,1,0,0,0,1|1,0,0]=3 169 B11R1.86 CC(=O)Nc1cccnc1I 467bfbcd2f98dc2da33396f6c3169a29 [0,1,0,0,0,1|1,0,0]=3 170 B11R1.86 CC(=O)Nc1cccnc1O 7fcf288ae770f8f4e3cf6493eee6512f [0,1,0,0,0,1|1,0,0]=3 171 B11R1.86 CC(=O)Nc1ccnnc1C cadb49c5a9c58bf00b9e5a551cd24f13 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.86 CC(=O)Nc1cnccc1C 008c73bad38e7c0ad3042f8c5e2eeef6 [0,1,0,0,0,1|1,0,0]=3 173 B11R1.86 CC(=O)Nc1cnccc1F fb86cc23bed5784da517c22693fa424f [0,1,0,0,0,1|1,0,0]=3 174 B11R1.86 CC(=O)Nc1cnccc1I f9bbe3b48c30df8d0dae6d2447ab7b64 [0,1,0,0,0,1|1,0,0]=3 175 B11R1.86 CC(=O)Nc1cnccc1O 026ebb27f2a3ead3d67bfa6a1c65cef8 [0,1,0,0,0,1|1,0,0]=3 176 B11R1.86 CC(=O)Nc1ncccc1C 3c6d5cf596b0e21248657879e826b561 [0,1,0,0,0,1|1,0,0]=3 177 B11R1.86 CC(=O)Nc1ncccc1Cl 046176b1d66345ef27a31d8dec48e176 [0,1,0,0,0,1|1,0,0]=3 178 B11R1.86 CC(=O)Nc1ncccc1F 538d1f7d9dce9c391c2889dad2906996 [0,1,0,0,0,1|1,0,0]=3 179 B11R1.86 CC(=O)Nc1ncccc1I e16450fdd7c598f0519f5a1ac3923512 [0,1,0,0,0,1|1,0,0]=3 180 B11R1.86 CC(=O)Nc1ncccc1O b5c4643233d4c0cd6f7c1f9da29da199 [0,1,0,0,0,1|1,0,0]=3 181 B11R1.86 CC(=O)Nc1nccnc1C 91307da892d26270c50ec6b371044d57 [0,1,0,0,0,1|0,0,0]=2 182 B11R1.86 CC(=O)Nc1nccnc1Cl 73358f12f40bca8d83f664898a1a7cda [0,1,0,0,0,1|0,0,0]=2 183 B11R1.86 CC(=O)Nc1nccnc1I 329e07036277c7ed530d8478ac3ced74 [0,1,0,0,0,1|0,0,0]=2 184 B11R1.86 CC(=O)Nc1nccnc1O fd538b7c2f434a2f6f99824cfe0a9b4c [0,1,0,0,0,1|0,0,0]=2 185 B11R1.86 CC(=O)Nc1ncncc1I 036cd1c5d49a5eb9ed70f7c9535d8f83 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.86 CC(=O)Nc1nnccc1C 24befafdb5d28545a7ca1f97bb43d82e [0,1,0,0,0,1|2,0,0]=4 187 B11R1.86 CC(=O)Nc1nnccc1O 7d15230e02c4f4b765ccddf4779cb8c0 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.86 CC(C)Nc1nccnc1Br 64f273542fcdef7892171fa21df651e1 [0,1,0,0,0,1|1,0,1]=4 189 B11R1.86 CC(C)Nc1nccnc1Cl 0f9c256412e7d20f9195319d8444aeb5 [0,1,0,0,0,1|1,0,1]=4 190 B11R1.86 CC(C)Nc1nccnc1I 13ad7ab334c3ad8089a1f994056eeee3 [0,1,0,0,0,1|1,0,1]=4 191 B11R1.86 CC(C)Oc1nccnc1Br 08bd2cad7f32b307a8d1015974c10f7a [0,1,0,0,0,1|1,0,1]=4 192 B11R1.86 Cc1nccnc1NC(C)C 487af012b2415642e3b4830cd3838913 [0,1,0,0,0,1|1,0,1]=4 193 B11R1.86 Cc1nccnc1OC(C)C 4c698fd515c5e4f6b0bc546fe95a926a [0,1,0,0,0,1|1,0,1]=4 194 B11R1.157 CC(=O)Nc1cc(ccn1)C 11bb75cefcc8e0053d4aa87066be916d [0,1,0,0,0,1|1,0,0]=3 195 B11R1.157 CC(=O)Nc1cc(ccn1)F 8e862ac7c7b42cf4a874c98f7685acd6 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.157 CC(=O)Nc1cc(ccn1)O a3610b7684ca29dc38fcb0bb43d220bb [0,1,0,0,0,1|1,0,0]=3 197 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [0,1,0,0,0,1|2,0,0]=4 198 B11R1.157 CC(=O)Nc1cccc(c1)Cl a4a6d31d02767cbd28a554abdc9d7f9c [0,1,0,0,0,1|2,0,0]=4 199 B11R1.157 CC(=O)Nc1cccc(c1)F c6f0d045fd7da349c2147d19a6b5c925 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.157 CC(=O)Nc1cccc(c1)I 6985e662c065e5f04703904aecec87c5 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.157 CC(=O)Nc1cccc(c1)S c491dfa7e666418d0885014c41e759e8 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.157 CC(=O)Nc1cccc(n1)C 01436216495e07ab1a016d090bd0354d [0,1,0,0,0,1|1,0,0]=3 204 B11R1.157 CC(=O)Nc1cccc(n1)F 5c90ea818058cfdc7008511466203d36 [0,1,0,0,0,1|1,0,0]=3 205 B11R1.157 CC(=O)Nc1cccc(n1)I 5d4e8b430df68bb8d5b9e79c705284bb [0,1,0,0,0,1|1,0,0]=3 206 B11R1.157 CC(=O)Nc1cccc(n1)O 5ecee8ed76a0d083278d7db13fb46dc5 [0,1,0,0,0,1|1,0,0]=3 207 B11R1.157 CC(=O)Nc1ccnc(n1)C a99fb752268446820ef6d543ffd6e63c [0,1,0,0,0,1|2,0,0]=4 208 B11R1.157 CC(=O)Nc1ccnc(n1)F 408e459526577b37af420886fa5483de [0,1,0,0,0,1|2,0,0]=4 209 B11R1.157 CC(=O)Nc1ccnc(n1)S b1fb83694219796ce1766b50befd0b64 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.157 CC(=O)Nc1cncc(c1)F 9860c048d1d1e6420ea4a0a66f480b3c [0,1,0,0,0,1|1,0,0]=3 212 B11R1.157 CC(=O)Nc1cncc(c1)I 1accd6dc622c13ee068932fae9e60766 [0,1,0,0,0,1|1,0,0]=3 213 B11R1.157 CC(=O)Nc1cncc(c1)O df72e33984e978f8a94153b22b3fc5c6 [0,1,0,0,0,1|1,0,0]=3 214 B11R1.157 CC(=O)Nc1cncc(n1)C 814c6641018618ae240ef1a1633a60e7 [0,1,0,0,0,1|0,0,0]=2 215 B11R1.157 CC(=O)Nc1cncc(n1)F ef72f805b1e497b0355d489c7333b0d9 [0,1,0,0,0,1|0,0,0]=2 216 B11R1.157 CC(=O)Nc1cnnc(c1)F f1bbad3625f9dafe11622658ea27357d [0,1,0,0,0,1|2,0,0]=4 217 B11R1.157 CC(C)Nc1cncc(n1)F e065eccf180edd767707b1eb1341d59b [0,1,0,0,0,1|1,0,1]=4 218 B11R1.157 CC(C)Oc1cncc(n1)Br 728b8a9c26c866a2cb7f1592bf7d3777 [0,1,0,0,0,1|1,0,1]=4 219 B11R1.157 CC(C)Oc1cncc(n1)Cl 3830830eeebaad7249ab139f796ed7e2 [0,1,0,0,0,1|1,0,1]=4 220 B11R1.22 CCN(C)c1cnc(cn1)C 6faeab9093eb09074dffc7f8c73a92a2 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.22 CCN(C)c1cnc(cn1)Cl 93f5384ac0dd4da7faf1f1db35aa9761 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.22 CN(C=O)c1ccc(cn1)Br 7f8da10581ce5ca8a37f373d42765e26 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.22 CN(C=O)c1ccc(cn1)Cl eb3549718b5ca2b8a891721b0fccec81 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.22 CN(C=O)c1ccc(cn1)F ccd5b3b4d2abee8b59e402f73866a88d [0,2,0,0,0,0|2,0,0]=4 225 B11R1.22 CN(C=O)c1ccc(cn1)I f3706e1edae5d726765a21baeac8b53e [0,2,0,0,0,0|2,0,0]=4 226 B11R1.22 CN(C=O)c1ccc(nc1)Br 02e6c8c88fc8f9a945078432f838505c [0,2,0,0,0,0|2,0,0]=4 227 B11R1.22 CN(C=O)c1ccc(nc1)Cl bd70684891af49b44bb911ed20ab21a5 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.22 CN(C=O)c1ccc(nc1)F 6e5f29d7bc3545ed6e42f58e9071f45e [0,2,0,0,0,0|2,0,0]=4 229 B11R1.22 CN(C=O)c1cnc(cn1)Br be4c0e691ae29eb651e2f8d3dae585ca [0,2,0,0,0,0|1,0,0]=3 230 B11R1.22 CN(C=O)c1cnc(cn1)Cl 31d08618a518bfd9ef3bde3a5dbab4fc [0,2,0,0,0,0|1,0,0]=3 231 B11R1.22 CN(CF)c1cnc(cn1)Br 19a72d80af90818655bede3809df2dba [0,2,0,0,0,0|2,0,0]=4 232 B11R1.22 CN(CF)c1cnc(cn1)Cl 7529e9fc0b86566686ded9900d345655 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.22 CN(CO)c1cnc(cn1)Br 0dc5d64bb4009b63cb6f48837f243a4f [0,2,0,0,0,0|1,0,1]=4 234 B11R1.22 CN(CO)c1cnc(cn1)Cl b4bfe019135820eef64b446610128f9a [0,2,0,0,0,0|1,0,1]=4 235 B11R1.22 Cc1ccc(cn1)N(C)C=O 17ad1ce648b4690112700dad4971e9cf [0,2,0,0,0,0|2,0,0]=4 236 B11R1.22 Cc1ccc(nc1)N(C)C=O e97e84386efd05e00da987d65e1de257 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.22 Cc1cnc(cn1)N(C)C=O 629909b64e721791a7f7f5c721219694 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.22 Cc1cnc(cn1)N(C)CF 13f2901f88383e0521de274972d55e0d [0,2,0,0,0,0|2,0,0]=4 239 B11R1.22 Cc1cnc(cn1)N(C)CO 354200276b0d807db76f5e2bf72ca03e [0,2,0,0,0,0|1,0,1]=4 240 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [0,2,0,0,0,0|2,0,0]=4 241 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,2,0,0,0,0|1,0,0]=3 243 B11R1.12 CCN(CC)c1cnccn1 534f5614ab93b4a72aa583f5a89a8e6d [0,2,0,0,0,0|2,0,0]=4 244 B11R1.12 CCN(CO)c1cnccn1 94eb593a52e2be02f0653b4bfe0a37dd [0,2,0,0,0,0|1,0,1]=4 245 B11R1.16 C#CCN(C)c1cnccn1 a4cffc80422290291397fb62c9c33827 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.16 C=CCN(C)c1cnccn1 cc787492a46ddbcf60b305b71c24191e [0,2,0,0,0,0|2,0,0]=4 247 B11R1.16 CC(NC=O)c1ccccn1 2d9ff4713c5fb2a2245e54b6347c7c9e [0,2,0,0,0,0|1,0,1]=4 248 B11R1.16 CC(NC=O)c1cccnc1 8993d9f42ad801a00b7dbd874864f118 [0,2,0,0,0,0|1,0,1]=4 249 B11R1.16 CC(NC=O)c1cnccn1 b12aa70178da0d6f388963a11219364c [0,2,0,0,0,0|0,0,1]=3 250 B11R1.16 CC(NCF)c1cnccn1 98fa7db5c4884fbbbdf1607e1137c7e9 [0,2,0,0,0,0|1,0,1]=4 251 B11R1.16 CC(NCO)c1cnccn1 dd375ba3f51181f3178a09958c46ca97 [0,2,0,0,0,0|0,0,2]=4 252 B11R1.16 CC(OCF)c1cnccn1 edaa78b62734f3603bd18d85f98d58c9 [0,2,0,0,0,0|0,0,2]=4 253 B11R1.16 CCCN(C)c1cnccn1 7515a4a7db1f95bb8312ff50e22bcdd1 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.16 CCNC(C)c1cnccn1 3027041055109ccfc9487eb2dd1789f2 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [0,2,0,0,0,0|0,0,2]=4 256 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [0,2,0,0,0,0|0,0,2]=4 257 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [0,2,0,0,0,0|0,0,2]=4 258 B11R1.16 CN(CC#N)c1cnccn1 2750c9dd243c5e4c9ca0dba46b480f8b [0,2,0,0,0,0|2,0,0]=4 259 B11R1.16 CN(CC=O)c1ccccn1 8eeacaea1098a53010acec6d489e7e31 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.16 CN(CC=O)c1cccnc1 4e735c7da6851d8cd391939506ab7153 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.16 CN(CC=O)c1cnccn1 7c6a09d326b306da2afe6afe92255679 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.16 CN(CC=O)c1nccnn1 9563ea25dc90f86356507f5f83da44fa [0,2,0,0,0,0|2,0,0]=4 263 B11R1.16 CN(CCF)c1cnccn1 15a039d9d714db4512792a8b200b4dff [0,2,0,0,0,0|2,0,0]=4 264 B11R1.16 CN(CCO)c1cnccn1 bdad212bbcc3afe5eea664c568345e02 [0,2,0,0,0,0|1,0,1]=4 265 B11R1.16 CN(CCS)c1cnccn1 2d08c2d6ba147f261632e0f21f55f174 [0,2,0,0,0,0|1,1,0]=4 266 B11R1.16 COCN(C)c1cnccn1 a76b0fd1dcf67b9f677e7bf23a60c424 [0,2,0,0,0,0|1,0,1]=4 267 B11R1.16 CSCN(C)c1cnccn1 fa59e1713876a768b8d84e8b5846f50c [0,2,0,0,0,0|1,1,0]=4 268 B11R1.16 C[C@@H](NC=O)c1ccccn1 cab0a06ffe0df70443a13b7bf3f0f929 [0,2,0,0,0,0|1,0,1]=4 269 B11R1.16 C[C@@H](NC=O)c1cccnc1 ac95236c8efa48d11de85080c1ed1da7 [0,2,0,0,0,0|1,0,1]=4 270 B11R1.16 C[C@@H](OCF)c1cnccn1 4ec1a495205071e6cae2957a86acc99e [0,2,0,0,0,0|0,0,2]=4 271 B11R1.16 C[C@H](NC=O)c1ccccn1 353a0771be422f9d7abafb8a3ade0569 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.16 C[C@H](NC=O)c1cccnc1 03b40f19b3a9bf3d85026c98e0fcf432 [0,2,0,0,0,0|1,0,1]=4 273 B11R1.16 C[C@H](OCF)c1cnccn1 3a4066349d3d9540ab63cf5616e22030 [0,2,0,0,0,0|0,0,2]=4 274 B11R1.16 N#CNC(=O)c1ccccn1 44d2e00cb0876a447fe7ca0e5dfa0092 [0,2,0,0,0,0|1,0,1]=4 275 B11R1.16 N#CNC(=O)c1cccnc1 c2b82d345410e46672bb9c640f03af28 [0,2,0,0,0,0|1,0,1]=4 276 B11R1.16 N#CNC(=O)c1cnccn1 e7129f0275cee37c93e095f79c6d2157 [0,2,0,0,0,0|0,0,1]=3 277 B11R1.23 CCN(C)c1cncc(n1)Cl 61a50d6a365170af804e0900e032e6ac [0,2,0,0,0,0|2,0,0]=4 278 B11R1.23 CN(C=O)c1cc(ccn1)Br 5d3454b18877e79ab3d306b7bdc52c75 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.23 CN(C=O)c1cc(ccn1)Cl 9f74106f894b34649db45534debd8ed1 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.23 CN(C=O)c1cc(ccn1)I 34fbeab8aca98dabc7c6b19604a4eba9 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.23 CN(C=O)c1cccc(n1)Br 8612b91e415e9cc649fb04c5ea29ab42 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.23 CN(C=O)c1cccc(n1)Cl ca2b664edc0079e08a87049fdad8282a [0,2,0,0,0,0|2,0,0]=4 283 B11R1.23 CN(C=O)c1cccc(n1)F 4cee610795a72fd3ca41904bfd37bd40 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.23 CN(CF)c1cncc(n1)Br f439bf2f22bb7c8ceacb396918b27ff4 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.23 CN(CF)c1cncc(n1)Cl e9561598ddf5b7d19ab2467f54e44561 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.23 CN(CO)c1cncc(n1)Br cadbfb7a95b20a1f502bef6bf41713f1 [0,2,0,0,0,0|1,0,1]=4 287 B11R1.23 CN(CO)c1cncc(n1)Cl 2a26466910b5ab47a38bf4d064a0f1f5 [0,2,0,0,0,0|1,0,1]=4 288 B11R1.23 Cc1cccc(n1)N(C)C=O 6cb388448dc4b9e667ac2839ef3d869c [0,2,0,0,0,0|2,0,0]=4 289 B11R1.23 Cc1ccnc(c1)N(C)C=O 9a844feefad7cbd79d0790089efe483f [0,2,0,0,0,0|2,0,0]=4 290 B11R1.23 Cc1cncc(c1)N(C)C=O 7fd556f41e83e9cebad64414d3df3e54 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.23 Cc1cncc(n1)N(C)CO f833eb5ac3cec8147d9d3ea3585203bc [0,2,0,0,0,0|1,0,1]=4 292 B11R1.222 CCN(C)c1nccnc1C 5d523a19a51f60cd39551c666cbc848c [0,2,0,0,0,0|2,0,0]=4 293 B11R1.222 CCN(C)c1nccnc1Cl 0aff53c8cad05f64b17a5c5b4df2c214 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.222 CN(C=O)c1cccnc1Cl b027a9b01c7da1291b970a20c75c2e99 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.222 CN(C=O)c1cccnc1F 8e9cfc1b0e6a6be08d31776d822be16f [0,2,0,0,0,0|2,0,0]=4 296 B11R1.222 CN(C=O)c1cnccc1F 9a049333e1849191907641c6cea15d3a [0,2,0,0,0,0|2,0,0]=4 297 B11R1.222 CN(C=O)c1ncccc1Br db76b93ef1e268b910ac631c67ca1632 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.222 CN(C=O)c1ncccc1Cl 449a83a0cec7f02bd2abd91cedd0a796 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.222 CN(C=O)c1ncccc1F b641ddbedbd63da000d5c508aca4e04b [0,2,0,0,0,0|2,0,0]=4 300 B11R1.222 CN(C=O)c1ncccc1I 71913ea62e33de145ae57bd78731fdb8 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.222 CN(C=O)c1nccnc1Cl 0d08066d4784478757ba6db0d16a0737 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.222 CN(CF)c1nccnc1Cl 5334018f3d251e5e79e0994865ed9162 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.222 CN(CO)c1nccnc1Cl 7db54e1531fa465bda330ad6c0239127 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.222 Cc1cccnc1N(C)C=O 438b938c4b12b8c4e4c902048dbadb00 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.222 Cc1ccncc1N(C)C=O 5e2154d6d670430a5469b9d55e39c87e [0,2,0,0,0,0|2,0,0]=4 306 B11R1.222 Cc1ncccc1N(C)C=O dc35c78fbaab6693ce2763b76bacc250 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.222 Cc1nccnc1N(C)C=O 03976daf01a3a8e9ef35e3b8de40aebc [0,2,0,0,0,0|1,0,0]=3 308 B11R1.222 Cc1nccnc1N(C)CF 20ace126cd985ce0955e893a80d5d172 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.222 Cc1nccnc1N(C)CO f1e1ceafafa3cb3a2476908de66105b7 [0,2,0,0,0,0|1,0,1]=4 310 B9R1.13 CC(=O)Nc1ncco1 b16f0a75e381dc1cebd6e7c0a9c2918e [0,0,1,1,0,0|2,0,0]=4 311 B9R1.13 CC(=O)Nc1nccs1 77a8d229d5e2ebce94e2316ec872dfb6 [0,0,1,1,0,0|2,0,0]=4 312 B11R1.91 C=C(Br)CNc1cnccn1 9f0c4d6b702b459bd132e6d3bc8847bd [0,0,0,0,0,2|1,0,1]=4 313 B11R1.91 C=C(Br)COc1cnccn1 eda4e94e0b08f06b197539ed2c23cca6 [0,0,0,0,0,2|1,0,1]=4 314 B11R1.91 C=C(C)CNc1ccccn1 296f6d3c9e71203263ef4c60889651d0 [0,0,0,0,0,2|2,0,0]=4 315 B11R1.91 C=C(C)CNc1cccnc1 8810dec0d1b93ae6f2f50fc532118fa0 [0,0,0,0,0,2|2,0,0]=4 316 B11R1.91 C=C(C)CNc1cnccn1 d0a9ee6c6179d7f99dc86f8b5699859d [0,0,0,0,0,2|1,0,0]=3 317 B11R1.91 C=C(C)CNc1cnncn1 2526e065ea0e49525b805c225d2f10cb [0,0,0,0,0,2|2,0,0]=4 318 B11R1.91 C=C(C)CNc1nccnn1 a2fa884a76d24da5e76fdb3664362489 [0,0,0,0,0,2|2,0,0]=4 319 B11R1.91 C=C(C)COc1ccccn1 53d55f6223fd317f454a145f4adf39b2 [0,0,0,0,0,2|2,0,0]=4 320 B11R1.91 C=C(C)COc1cccnc1 3cac933caa917577843fc86e5c520fd6 [0,0,0,0,0,2|2,0,0]=4 321 B11R1.91 C=C(C)COc1cnccn1 75b8877c41b529e2d05c6c78734c83aa [0,0,0,0,0,2|1,0,0]=3 322 B11R1.91 C=C(C)COc1cncnn1 f4e996d8266a71d135483816117aad43 [0,0,0,0,0,2|2,0,0]=4 323 B11R1.91 C=C(Cl)CNc1cnccn1 fce45930c37b0a2d56c1860774df0586 [0,0,0,0,0,2|1,0,1]=4 324 B11R1.91 C=C(Cl)COc1cnccn1 fe87c1783b97b2c61d7ef3761c9062dc [0,0,0,0,0,2|1,0,1]=4 325 B11R1.91 C=C(F)CNc1cnccn1 8befbad564645d3398ffed6091b9be70 [0,0,0,0,0,2|1,0,1]=4 326 B11R1.91 C=C(F)COc1cnccn1 90dab68cfe0ddd20b842e8787236eb63 [0,0,0,0,0,2|1,0,1]=4 327 B11R1.91 CC(=O)CNc1ccccc1 71a2fb3da6b0e889c13cfd81e73bd182 [0,0,0,0,0,2|2,0,0]=4 328 B11R1.91 CC(=O)CNc1ccccn1 9ef5867d6e28a360f3e560522ae4c545 [0,0,0,0,0,2|1,0,0]=3 329 B11R1.91 CC(=O)CNc1cccnc1 35a6037a85b015cc869f557087769b5d [0,0,0,0,0,2|1,0,0]=3 330 B11R1.91 CC(=O)CNc1cccnn1 bd224fe4d75fd6299636314b2659cf40 [0,0,0,0,0,2|2,0,0]=4 331 B11R1.91 CC(=O)CNc1ccncn1 4f817587489a7d067dc5afdf25fc5852 [0,0,0,0,0,2|2,0,0]=4 332 B11R1.91 CC(=O)CNc1ccnnc1 988e3b33cea73d48c45816137b4a5d30 [0,0,0,0,0,2|2,0,0]=4 333 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,0,0,0,0,2|0,0,0]=2 334 B11R1.91 CC(=O)CNc1ncccn1 f18694e3a51e6ffd47e70f441daa4c05 [0,0,0,0,0,2|2,0,0]=4 335 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [0,0,0,0,0,2|2,0,0]=4 336 B11R1.91 CC(=O)NCc1ccccn1 4a5e0ad0f6fb64ba7eb4726872bef1d0 [0,0,0,0,0,2|1,0,0]=3 337 B11R1.91 CC(=O)NCc1cccnc1 7b71a51c058bd0c2c3114d8b61c7e1f0 [0,0,0,0,0,2|1,0,0]=3 338 B11R1.91 CC(=O)NCc1cccnn1 8df4f95b0595f5061ab86d0c6899ec2c [0,0,0,0,0,2|2,0,0]=4 339 B11R1.91 CC(=O)NCc1ccncn1 bb4e634dd2d2ac1df6c40895aef3c1f0 [0,0,0,0,0,2|2,0,0]=4 340 B11R1.91 CC(=O)NCc1ccnnc1 b7fb9ef1b30e19b3391ac6373f09e991 [0,0,0,0,0,2|2,0,0]=4 341 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,0,0,0,0,2|0,0,0]=2 342 B11R1.91 CC(=O)NCc1cncnc1 1788fa75b9a7d3ec40c95f826ad49ab5 [0,0,0,0,0,2|2,0,0]=4 343 B11R1.91 CC(=O)NCc1ncccn1 7e583fa87c299d4a4eb199dfcfdc7c5d [0,0,0,0,0,2|2,0,0]=4 344 B11R1.91 CC(C)CNc1cnccn1 95ddfe6d68910c614f0cbdfaa85d0133 [0,0,0,0,0,2|1,0,1]=4 345 B11R1.91 CC(C)COc1cnccn1 fca5516fc8fc749e126db826ec1364f8 [0,0,0,0,0,2|1,0,1]=4 346 B11R1.91 CC(C)NCc1cnccn1 320d7f2d7b3c9da90f951a37d43af864 [0,0,0,0,0,2|1,0,1]=4 347 B11R1.91 CC(C)OCc1cnccn1 e68303144f36400499d51e9b07ed6d5f [0,0,0,0,0,2|1,0,1]=4 348 B11R1.91 CC(O)CNc1cnccn1 f991222b12e39f41fc4f22d1360207a1 [0,0,0,0,0,2|0,0,2]=4 349 B11R1.91 CN(C)CNc1cnccn1 b2e8bec18797b7bb28e6e20f5edf5e23 [0,0,0,0,0,2|2,0,0]=4 350 B11R1.91 CN(C)COc1cnccn1 0bc79da095c240b1e1f95a99c0285d93 [0,0,0,0,0,2|2,0,0]=4 351 B11R1.91 C[C@@H](O)CNc1cnccn1 eefedac70fb9e61b84978ca5f31e1024 [0,0,0,0,0,2|0,0,2]=4 352 B11R1.91 C[C@H](O)CNc1cnccn1 8436b233d47376aa6994f036c7608979 [0,0,0,0,0,2|0,0,2]=4 353 B11R1.91 NC(=O)CNc1ccccn1 034e479579804be1d3ad81d994fdfe8a [0,0,0,0,0,2|2,0,0]=4 354 B11R1.91 NC(=O)CNc1cccnc1 dbb72e205ac173bc25639603ebb9275b [0,0,0,0,0,2|2,0,0]=4 355 B11R1.91 NC(=O)CNc1cnccn1 0a7c4e6a481fd88afb187a9fef9aa25c [0,0,0,0,0,2|1,0,0]=3 356 B11R1.91 NC(=O)CNc1cncnn1 b686127c4978139b0ca2d4f2f9eac5cf [0,0,0,0,0,2|2,0,0]=4 357 B11R1.91 NC(=O)CNc1cnncn1 9726df4fa49464258610e4fec80d4742 [0,0,0,0,0,2|2,0,0]=4 358 B11R1.91 NC(=O)CNc1nccnn1 601427750b67ce1718b3278d2a587969 [0,0,0,0,0,2|2,0,0]=4 359 B11R1.91 NC(=O)COc1ccccn1 d34b1e4c40fb1accb7eddd79d84f9d95 [0,0,0,0,0,2|2,0,0]=4 360 B11R1.91 NC(=O)COc1cccnc1 561263082ed3dec2740bd877b6a3be01 [0,0,0,0,0,2|2,0,0]=4 361 B11R1.91 NC(=O)COc1cnccn1 ede1bfb44e6df9244688248d128ef720 [0,0,0,0,0,2|1,0,0]=3 362 B11R1.91 NC(=O)COc1cncnn1 6f65e9d02dfea4fec1c44335f1c5bad1 [0,0,0,0,0,2|2,0,0]=4 363 B11R1.91 O=C(O)CNc1ccccn1 83bad72d96578f6ee29657bf854abc17 [0,0,0,0,0,2|2,0,0]=4 364 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [0,0,0,0,0,2|2,0,0]=4 365 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [0,0,0,0,0,2|1,0,0]=3 366 B11R1.91 O=C(O)CNc1cnncn1 656f91866ba89d759783ad01285d9323 [0,0,0,0,0,2|2,0,0]=4 367 B11R1.91 O=C(O)CNc1nccnn1 68de0936d2dfae14cdb757590d441dba [0,0,0,0,0,2|2,0,0]=4 368 B11R1.91 O=C(O)COc1ccccn1 d10c5c7e1100e6f68973343e5e477bed [0,0,0,0,0,2|2,0,0]=4 369 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [0,0,0,0,0,2|2,0,0]=4 370 B11R1.91 O=C(O)COc1cnccn1 e0294dfac2c18ae32226261f2b002098 [0,0,0,0,0,2|1,0,0]=3 371 B11R1.91 O=C(O)COc1cncnn1 f7236ae5d9b791665330b19e8512ec40 [0,0,0,0,0,2|2,0,0]=4 372 B11R1.91 O=[N+]([O-])CNc1cnccn1 2ba99f812bd9ef53c3663cdc428fb40c [0,0,0,0,0,2|2,0,0]=4 373 B11R1.91 O=[N+]([O-])COc1cnccn1 25706bd56c7a0489f19dfd7d59dbe784 [0,0,0,0,0,2|2,0,0]=4