0 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,1,0,0,0,0|3,0,0]=4 1 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,1,0,0,0,0|2,0,0]=3 2 B10R1.15 CN(C=O)c1cccnn1 bb6c9a4d3ed3a56597c0fa4d221ca30b [0,1,0,0,0,0|3,0,0]=4 3 B10R1.15 CN(C=O)c1ccnnc1 e2ebf1a31d3d52b6cc6cfffa8c5ad13e [0,1,0,0,0,0|3,0,0]=4 4 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,1,0,0,0,0|2,0,0]=3 6 B10R1.15 CN(CO)c1cccnn1 be811b1cf960929fa458e0250d378c6f [0,1,0,0,0,0|3,0,0]=4 7 B10R1.15 CN(CO)c1ccnnc1 3ebc8b69df9d99c700bae61759c92f97 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.15 CN(CO)c1cnccn1 789c6aa6696e30e272870a4861e371ee [0,1,0,0,0,0|3,0,0]=4 9 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,0,0,0,0,1|3,0,0]=4 10 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,0,0,0,0,1|1,0,0]=2 11 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [0,0,0,0,0,1|2,0,0]=3 12 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [0,0,0,0,0,1|3,0,0]=4 13 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [0,0,0,0,0,1|2,0,1]=4 16 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [0,0,0,0,0,1|2,0,1]=4 17 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [1,0,1,0,0,0|2,0,0]=4 18 B9R0.2 C=CCNC/C=C/C(=O)O 636992344ad4cc5c0805bc5588e83c40 [0,1,1,0,0,0|0,0,2]=4 19 B9R0.2 C=CCNCC=CC(=O)O 6366a056fc5f421ff29841bcd01bc941 [0,1,1,0,0,0|0,0,2]=4 20 B9R0.2 C=CCOC/C=C/C(=O)O 1f8cd64a72cdcfc5032c523eb9c51e0c [0,1,1,0,0,0|1,0,1]=4 21 B9R0.2 C=CCOCC=CC(=O)O ee8389b68c24cebb495b0c3b85f03986 [0,1,1,0,0,0|1,0,1]=4 22 B9R0.13 C=CCO/C(=C\C)/C(=O)O 0b2553288265d2f5d0df1182e6d5a031 [0,1,1,0,0,0|2,0,0]=4 23 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,1,0,0,0,0|1,0,1]=4 25 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,1,0,0,0,0|1,0,1]=4 26 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [1,1,0,0,0,0|0,0,0]=2 29 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.8 O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [1,1,0,0,0,0|1,0,0]=3 33 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,1,0,0,0,0|0,0,1]=3 35 B9R1.8 OCNc1cccnn1 d8959988e09873d44f8b640f1fe386e3 [1,1,0,0,0,0|1,0,1]=4 36 B9R1.8 OCNc1ccnnc1 3894cb787e7b8600c63a04771d062bff [1,1,0,0,0,0|1,0,1]=4 37 B9R1.8 OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.8 OCNc1cncnc1 f94e24e43a9b982a2515c894be0cdeee [1,1,0,0,0,0|1,0,1]=4 39 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [0,1,0,0,0,1|2,0,0]=4 41 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [0,1,0,0,0,1|2,0,0]=4 42 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [0,1,0,0,0,1|2,0,0]=4 43 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [0,1,0,0,0,1|2,0,0]=4 44 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.20 CC(=O)Nc1ccc(nc1)F d95b06008ed9858976947678a788c0d4 [0,1,0,0,0,1|1,0,0]=3 46 B11R1.20 CC(=O)Nc1ccc(nc1)I 4875ca9d40de97c8bc9a2f1b043085ee [0,1,0,0,0,1|1,0,0]=3 47 B11R1.20 CC(=O)Nc1ccc(nn1)C 2db771cb7b1752060e5ab3d9558a55a5 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.20 CC(=O)Nc1ccc(nn1)F fc0d35190b7248272f72c3b72d04d6de [0,1,0,0,0,1|2,0,0]=4 49 B11R1.20 CC(=O)Nc1ccc(nn1)I 103ba66fdc9246aa4c61c11e7f6e8337 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.20 CC(=O)Nc1ccc(nn1)O 446c9b33355b6db90284ef3ae74ace6f [0,1,0,0,0,1|2,0,0]=4 51 B11R1.20 CC(=O)Nc1cnc(cn1)C 9e5149615a867d36276f957f71175a41 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.20 CC(=O)Nc1cnc(cn1)I 21bc22ad112fe01077ff258cec8c3b14 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.36 CC(=O)N(C)c1cccnc1 99d370e4887dccbc66fa5e316a815456 [0,1,0,0,0,1|1,0,0]=3 54 B11R1.36 CC(=O)N(C)c1cccnn1 019bdf2b41b50b3dc4c1fbd9a45824e4 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.36 CC(=O)N(C)c1ccnnc1 7b7b0659475cefeb9f34385b51243dc3 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.36 CC(=O)N(C)c1cnccn1 7d8fc7dfc94af72e401da7941f18789c [0,1,0,0,0,1|2,0,0]=4 57 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,1,0,0,0,1|1,0,0]=3 58 B11R1.40 C#CC(=O)Nc1cccnn1 9ad4de692c3f2b3f3bb452dfdfae824a [0,1,0,0,0,1|2,0,0]=4 59 B11R1.40 C#CC(=O)Nc1ccnnc1 e97a3fedff3d556d961a4ad79afe5784 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.40 C#CC(=O)Nc1cnccn1 4b36f726c232f1d4ac2163b96818a611 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,1,0,0,0,1|1,0,0]=3 63 B11R1.40 C=CC(=O)Nc1cccnn1 b0c331c7674c74b9a074ca9d88d52bd4 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.40 C=CC(=O)Nc1ccnnc1 bb65c517049238b0258f3b8f2eeaa12d [0,1,0,0,0,1|2,0,0]=4 65 B11R1.40 C=CC(=O)Nc1cnccn1 0750844e1718f30f6356a67d8d5f5dcf [0,1,0,0,0,1|2,0,0]=4 66 B11R1.40 C=CC(=O)Nc1cncnc1 9b4072e0da3d142f1e2f8a7c131946f9 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.40 CC(C=O)Nc1cccnc1 d9c7b2b4935781413d4a985313466b9b [0,1,0,0,0,1|1,0,1]=4 68 B11R1.40 CC(C=O)Oc1cccnc1 e37888c7c991d828e39da1a6807dceaa [0,1,0,0,0,1|1,0,1]=4 69 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,1,0,0,0,1|1,0,1]=4 70 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,1,0,0,0,1|1,0,0]=3 71 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,1,0,0,0,1|2,0,0]=4 73 B11R1.40 CN(C=O)Cc1cccnc1 ffa035f03a82f49c9d004e6e7105924f [0,1,0,0,0,1|2,0,0]=4 74 B11R1.40 CN(CO)Cc1cccnc1 bdae5dd3c0107b4a15ddef98331c4b4c [0,1,0,0,0,1|2,0,0]=4 75 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,1,0,0,0,1|1,0,1]=4 76 B11R1.40 C[C@H](C=O)Nc1cccnc1 fedeaeec69f602e704c38cd1adea1d8e [0,1,0,0,0,1|1,0,1]=4 77 B11R1.40 C[C@H](C=O)Oc1cccnc1 55db0365e7488258d11fe983dbcaf255 [0,1,0,0,0,1|1,0,1]=4 78 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,1,0,0,0,1|1,0,1]=4 79 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,1,0,0,0,1|1,0,0]=3 80 B11R1.40 O=C(CF)Nc1cccnn1 956ee4b8acdca6d1b3b267a9d3c5501e [0,1,0,0,0,1|2,0,0]=4 81 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,1,0,0,0,1|2,0,0]=4 82 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,1,0,0,0,1|0,0,0]=2 84 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,1,0,0,0,1|1,0,0]=3 85 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,1,0,0,0,1|1,0,0]=3 86 B11R1.40 O=C(CS)Nc1cccnn1 41f91dff9cbbc670e95242818cb16a37 [0,1,0,0,0,1|1,1,0]=4 87 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,1,0,0,0,1|1,1,0]=4 88 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,1,0,0,0,1|1,0,1]=4 89 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,1,0,0,0,1|0,0,1]=3 90 B11R1.40 O=CC(=O)Nc1cccnn1 b30b17eef6f779e83d53fbee2dd15d57 [0,1,0,0,0,1|1,0,1]=4 91 B11R1.40 O=CC(=O)Nc1ccnnc1 478bc45f9e8b5f84f0b4c7f1d8dd1618 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.40 O=CC(=O)Nc1cnccn1 1b4db28b2217e8524dd00b0444a0d0b1 [0,1,0,0,0,1|1,0,1]=4 93 B11R1.86 CC(=O)Nc1ccccc1C 7049a69ccf4e362820a37d19b9dcdc8e [0,1,0,0,0,1|2,0,0]=4 94 B11R1.86 CC(=O)Nc1ccccc1F 8577dda07f10b24e878efc2b8c63979b [0,1,0,0,0,1|2,0,0]=4 95 B11R1.86 CC(=O)Nc1ccccc1I def7ccb67f6a04593a954aa370725476 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.86 CC(=O)Nc1ccccc1O e286e23dcc389b9a19e5097225c5ef71 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.86 CC(=O)Nc1ccccc1S 1242ce70ea265424048fd46add1f1131 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.86 CC(=O)Nc1cccnc1C cb746ed6a78728abfd09af911ecd9df1 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.86 CC(=O)Nc1cccnc1Cl d6108d611ff0956d8f248587b24194a3 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.86 CC(=O)Nc1cccnc1F 14d1358323375dfcd1ff37fd32da5eb9 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.86 CC(=O)Nc1cccnc1I 467bfbcd2f98dc2da33396f6c3169a29 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.86 CC(=O)Nc1cccnc1O 7fcf288ae770f8f4e3cf6493eee6512f [0,1,0,0,0,1|1,0,0]=3 103 B11R1.86 CC(=O)Nc1ccnnc1C cadb49c5a9c58bf00b9e5a551cd24f13 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.86 CC(=O)Nc1cnccc1C 008c73bad38e7c0ad3042f8c5e2eeef6 [0,1,0,0,0,1|1,0,0]=3 105 B11R1.86 CC(=O)Nc1cnccc1F fb86cc23bed5784da517c22693fa424f [0,1,0,0,0,1|1,0,0]=3 106 B11R1.86 CC(=O)Nc1cnccc1I f9bbe3b48c30df8d0dae6d2447ab7b64 [0,1,0,0,0,1|1,0,0]=3 107 B11R1.86 CC(=O)Nc1cnccc1O 026ebb27f2a3ead3d67bfa6a1c65cef8 [0,1,0,0,0,1|1,0,0]=3 108 B11R1.86 CC(=O)Nc1nccnc1C 91307da892d26270c50ec6b371044d57 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.86 CC(=O)Nc1nccnc1Cl 73358f12f40bca8d83f664898a1a7cda [0,1,0,0,0,1|2,0,0]=4 110 B11R1.86 CC(=O)Nc1nccnc1I 329e07036277c7ed530d8478ac3ced74 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.86 CC(=O)Nc1nccnc1O fd538b7c2f434a2f6f99824cfe0a9b4c [0,1,0,0,0,1|2,0,0]=4 112 B11R1.86 CC(=O)Nc1nnccc1C 24befafdb5d28545a7ca1f97bb43d82e [0,1,0,0,0,1|2,0,0]=4 113 B11R1.86 CC(=O)Nc1nnccc1O 7d15230e02c4f4b765ccddf4779cb8c0 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [0,1,0,0,0,1|2,0,0]=4 115 B11R1.157 CC(=O)Nc1cccc(c1)Cl a4a6d31d02767cbd28a554abdc9d7f9c [0,1,0,0,0,1|2,0,0]=4 116 B11R1.157 CC(=O)Nc1cccc(c1)F c6f0d045fd7da349c2147d19a6b5c925 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.157 CC(=O)Nc1cccc(c1)I 6985e662c065e5f04703904aecec87c5 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.157 CC(=O)Nc1cccc(c1)S c491dfa7e666418d0885014c41e759e8 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.157 CC(=O)Nc1cncc(c1)F 9860c048d1d1e6420ea4a0a66f480b3c [0,1,0,0,0,1|1,0,0]=3 122 B11R1.157 CC(=O)Nc1cncc(c1)I 1accd6dc622c13ee068932fae9e60766 [0,1,0,0,0,1|1,0,0]=3 123 B11R1.157 CC(=O)Nc1cncc(c1)O df72e33984e978f8a94153b22b3fc5c6 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.157 CC(=O)Nc1cncc(n1)C 814c6641018618ae240ef1a1633a60e7 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.157 CC(=O)Nc1cncc(n1)F ef72f805b1e497b0355d489c7333b0d9 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.157 CC(=O)Nc1cnnc(c1)F f1bbad3625f9dafe11622658ea27357d [0,1,0,0,0,1|2,0,0]=4 127 B11R1.22 CN(C=O)c1ccc(nc1)Br 02e6c8c88fc8f9a945078432f838505c [0,2,0,0,0,0|2,0,0]=4 128 B11R1.22 CN(C=O)c1ccc(nc1)Cl bd70684891af49b44bb911ed20ab21a5 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.22 CN(C=O)c1ccc(nc1)F 6e5f29d7bc3545ed6e42f58e9071f45e [0,2,0,0,0,0|2,0,0]=4 130 B11R1.22 CN(CO)c1ccc(nc1)Br 5c0340a31595aefc3641bad2ceba5b5e [0,2,0,0,0,0|2,0,0]=4 131 B11R1.22 CN(CO)c1ccc(nc1)Cl 3f68dd1ab859b8583535f7e17ec0b0b9 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.22 CN(CO)c1ccc(nc1)F 251eb8b660b995afa2064258cc123443 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.22 Cc1ccc(cn1)N(C)C=O 17ad1ce648b4690112700dad4971e9cf [0,2,0,0,0,0|2,0,0]=4 134 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.12 CCN(CO)c1cccnc1 f2903e21d817aefbbc8f3b43452e9503 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.16 CC(NC=O)c1cccnc1 8993d9f42ad801a00b7dbd874864f118 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,2,0,0,0,0|1,0,1]=4 139 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,2,0,0,0,0|1,0,1]=4 142 B11R1.16 CN(CC=O)c1cccnc1 4e735c7da6851d8cd391939506ab7153 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,2,0,0,0,0|2,0,0]=4 144 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.16 C[C@@H](NC=O)c1cccnc1 ac95236c8efa48d11de85080c1ed1da7 [0,2,0,0,0,0|1,0,1]=4 146 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.16 C[C@H](NC=O)c1cccnc1 03b40f19b3a9bf3d85026c98e0fcf432 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.16 N#CNC(=O)c1ccccc1 f968919af35f591f70d462dc16d787fc [0,2,0,0,0,0|2,0,0]=4 152 B11R1.16 N#CNC(=O)c1cccnc1 c2b82d345410e46672bb9c640f03af28 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.16 N#CNC(=O)c1cccnn1 c680851cc264c92361c2612036d90a3a [0,2,0,0,0,0|2,0,0]=4 154 B11R1.16 N#CNC(=O)c1cnccn1 e7129f0275cee37c93e095f79c6d2157 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.16 N#CNC(=O)c1cncnc1 7ecb82dc72b7d4d73c96f376bab2cd4c [0,2,0,0,0,0|2,0,0]=4 156 B11R1.23 CN(CO)c1cncc(c1)Br db23f607a81ba65a023618f3fa5645fb [0,2,0,0,0,0|2,0,0]=4 157 B11R1.23 Cc1cncc(c1)N(C)C=O 7fd556f41e83e9cebad64414d3df3e54 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.23 Cc1cncc(c1)N(C)CO a9dc5d3a4f411de95b028d7301a04961 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.222 CN(C=O)c1cccnc1Cl b027a9b01c7da1291b970a20c75c2e99 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.222 CN(C=O)c1cccnc1F 8e9cfc1b0e6a6be08d31776d822be16f [0,2,0,0,0,0|2,0,0]=4 161 B11R1.222 CN(C=O)c1cnccc1F 9a049333e1849191907641c6cea15d3a [0,2,0,0,0,0|2,0,0]=4 162 B11R1.222 CN(CO)c1cccnc1Br 340c9897d8b3c2114eef4e935f3c39fe [0,2,0,0,0,0|2,0,0]=4 163 B11R1.222 CN(CO)c1cccnc1Cl 947e3bedd93c807491120bbaac9423f9 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.222 CN(CO)c1cccnc1F cb868a01723c893ad09ec57cd87427ee [0,2,0,0,0,0|2,0,0]=4 165 B11R1.222 CN(CO)c1cnccc1Cl 118f63190fa72552acbe59f19dcea564 [0,2,0,0,0,0|2,0,0]=4 166 B11R1.222 CN(CO)c1cnccc1F f3601bf39d16035d778442bb8335e2f0 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.222 Cc1ccncc1N(C)C=O 5e2154d6d670430a5469b9d55e39c87e [0,2,0,0,0,0|2,0,0]=4 168 B11R1.222 Cc1ccncc1N(C)CO 3a13fb7fbb6b652e271886038778c016 [0,2,0,0,0,0|2,0,0]=4 169 B11R1.222 Cc1ncccc1N(C)C=O dc35c78fbaab6693ce2763b76bacc250 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.222 Cc1ncccc1N(C)CO a6cff45c2e0229235d921297d1fe2795 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.91 C=C(Br)CNc1cccnc1 a11cf5f6d9b1fac244d28cac011d2a32 [0,0,0,0,0,2|2,0,0]=4 172 B11R1.91 C=C(Br)COc1cccnc1 03ee6b86f68c4d9665848abdc6665e99 [0,0,0,0,0,2|2,0,0]=4 173 B11R1.91 C=C(C)CNc1cccnc1 8810dec0d1b93ae6f2f50fc532118fa0 [0,0,0,0,0,2|2,0,0]=4 174 B11R1.91 C=C(C)COc1cccnc1 3cac933caa917577843fc86e5c520fd6 [0,0,0,0,0,2|2,0,0]=4 175 B11R1.91 C=C(Cl)CNc1cccnc1 54e242eb426763e91578db67448c885f [0,0,0,0,0,2|2,0,0]=4 176 B11R1.91 C=C(Cl)COc1cccnc1 8b34485e013408a6d6c7e3498d13562e [0,0,0,0,0,2|2,0,0]=4 177 B11R1.91 C=C(F)CNc1cccnc1 ba2b2cb51023d183dfda83785e392235 [0,0,0,0,0,2|2,0,0]=4 178 B11R1.91 C=C(F)COc1cccnc1 4668ab24b3e1fd98adbd999ded211c59 [0,0,0,0,0,2|2,0,0]=4 179 B11R1.91 CC(=O)CNc1ccccc1 71a2fb3da6b0e889c13cfd81e73bd182 [0,0,0,0,0,2|2,0,0]=4 180 B11R1.91 CC(=O)CNc1cccnc1 35a6037a85b015cc869f557087769b5d [0,0,0,0,0,2|1,0,0]=3 181 B11R1.91 CC(=O)CNc1cccnn1 bd224fe4d75fd6299636314b2659cf40 [0,0,0,0,0,2|2,0,0]=4 182 B11R1.91 CC(=O)CNc1ccnnc1 988e3b33cea73d48c45816137b4a5d30 [0,0,0,0,0,2|2,0,0]=4 183 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,0,0,0,0,2|2,0,0]=4 184 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [0,0,0,0,0,2|2,0,0]=4 185 B11R1.91 CC(=O)NCc1cccnc1 7b71a51c058bd0c2c3114d8b61c7e1f0 [0,0,0,0,0,2|1,0,0]=3 186 B11R1.91 CC(=O)NCc1cccnn1 8df4f95b0595f5061ab86d0c6899ec2c [0,0,0,0,0,2|2,0,0]=4 187 B11R1.91 CC(=O)NCc1ccnnc1 b7fb9ef1b30e19b3391ac6373f09e991 [0,0,0,0,0,2|2,0,0]=4 188 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,0,0,0,0,2|2,0,0]=4 189 B11R1.91 CC(=O)NCc1cncnc1 1788fa75b9a7d3ec40c95f826ad49ab5 [0,0,0,0,0,2|2,0,0]=4 190 B11R1.91 CC(O)CNc1cccnc1 be948b4ea22210c06fa11f5ff0c44d9b [0,0,0,0,0,2|1,0,1]=4 191 B11R1.91 C[C@@H](O)CNc1cccnc1 0269da8e8da5f2bc75323d1a7b31953c [0,0,0,0,0,2|1,0,1]=4 192 B11R1.91 C[C@H](O)CNc1cccnc1 13f963f21a32ff7cb405ad7d76f40567 [0,0,0,0,0,2|1,0,1]=4 193 B11R1.91 NC(=O)CNc1ccccc1 cb8f4e233e85228cf5430aee72130ae8 [0,0,0,0,0,2|2,0,0]=4 194 B11R1.91 NC(=O)CNc1cccnc1 dbb72e205ac173bc25639603ebb9275b [0,0,0,0,0,2|1,0,0]=3 195 B11R1.91 NC(=O)CNc1cccnn1 60d31b38949fd2adfd2e2512960c8165 [0,0,0,0,0,2|2,0,0]=4 196 B11R1.91 NC(=O)CNc1ccnnc1 fd3142ea857a4229c35d861a620f383c [0,0,0,0,0,2|2,0,0]=4 197 B11R1.91 NC(=O)CNc1cnccn1 0a7c4e6a481fd88afb187a9fef9aa25c [0,0,0,0,0,2|2,0,0]=4 198 B11R1.91 NC(=O)CNc1cncnc1 2027aa04b899d228b30b6b8f4597eebe [0,0,0,0,0,2|2,0,0]=4 199 B11R1.91 NC(=O)COc1cccnc1 561263082ed3dec2740bd877b6a3be01 [0,0,0,0,0,2|1,0,0]=3 200 B11R1.91 NC(=O)COc1ccnnc1 41f10587e32d620af6aead81edac5ccf [0,0,0,0,0,2|2,0,0]=4 201 B11R1.91 NC(=O)COc1cnccn1 ede1bfb44e6df9244688248d128ef720 [0,0,0,0,0,2|2,0,0]=4 202 B11R1.91 NC(=O)COc1cncnc1 ffe0016a63c39558be0c122ef0eaecca [0,0,0,0,0,2|2,0,0]=4 203 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [0,0,0,0,0,2|1,0,0]=3 204 B11R1.91 O=C(O)CNc1ccccn1 83bad72d96578f6ee29657bf854abc17 [0,0,0,0,0,2|2,0,0]=4 205 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [0,0,0,0,0,2|0,0,0]=2 206 B11R1.91 O=C(O)CNc1cccnn1 cf291fb62c38c15687fe08b6cd38c97a [0,0,0,0,0,2|1,0,0]=3 207 B11R1.91 O=C(O)CNc1ccncc1 d2ec8efae842007114d587a1ec71d62f [0,0,0,0,0,2|2,0,0]=4 208 B11R1.91 O=C(O)CNc1ccnnc1 c99b746e992a4e9e6f7e039e52c1a5ec [0,0,0,0,0,2|1,0,0]=3 209 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [0,0,0,0,0,2|1,0,0]=3 210 B11R1.91 O=C(O)CNc1cncnc1 c77aa544ab79efbf2bcf36fb4eef07df [0,0,0,0,0,2|1,0,0]=3 211 B11R1.91 O=C(O)CNc1cnncn1 656f91866ba89d759783ad01285d9323 [0,0,0,0,0,2|2,0,0]=4 212 B11R1.91 O=C(O)CNc1nccnn1 68de0936d2dfae14cdb757590d441dba [0,0,0,0,0,2|2,0,0]=4 213 B11R1.91 O=C(O)COc1ccccn1 d10c5c7e1100e6f68973343e5e477bed [0,0,0,0,0,2|2,0,0]=4 214 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [0,0,0,0,0,2|0,0,0]=2 215 B11R1.91 O=C(O)COc1ccncc1 b0acb3702ddf8b44733ab3e3ff47483a [0,0,0,0,0,2|2,0,0]=4 216 B11R1.91 O=C(O)COc1ccnnc1 1b95f97209e3f2855770ca42cf783b1d [0,0,0,0,0,2|1,0,0]=3 217 B11R1.91 O=C(O)COc1cnccn1 e0294dfac2c18ae32226261f2b002098 [0,0,0,0,0,2|1,0,0]=3 218 B11R1.91 O=C(O)COc1cncnc1 be0d64e31690cc63b2fb9036513a8b31 [0,0,0,0,0,2|1,0,0]=3 219 B11R1.91 O=C(O)COc1cncnn1 f7236ae5d9b791665330b19e8512ec40 [0,0,0,0,0,2|2,0,0]=4 220 B11R1.91 O=[N+]([O-])CNc1cccnc1 22f8aed454b7c282f646cfba0598b7ad [0,0,0,0,0,2|1,0,1]=4 221 B11R1.91 O=[N+]([O-])COc1cccnc1 57806cc501e01a10b949bb71b7b553b9 [0,0,0,0,0,2|1,0,1]=4