0 B12R1.44 CCNc1cc(=O)n(c(=O)[nH]1)C 6d607e87cecaa39e00278d049b6730f9 [0,0,1,0,0,0|1,0,2]=4 1 B12R1.44 Cn1c(=O)cc([nH]c1=O)NC#N 4c69e9525f133a2018837aa6d0984a55 [0,0,1,0,0,0|0,0,3]=4 2 B12R1.44 Cn1c(=O)cc([nH]c1=O)NCF afed9d368bd23267a20502326532a57e [0,0,1,0,0,0|1,0,2]=4 3 B12R1.44 Cn1c(=O)cc([nH]c1=O)NCO e795500bd0b357d29e67c8a44ce31c74 [0,0,1,0,0,0|1,0,2]=4 4 B12R1.82 CCC(=O)Nc1ccsc1C=O 3c5e47b49d865b29bcc5bf8e8ad48efe [0,0,1,0,0,0|3,0,0]=4 5 B12R1.108 C/C=C(/C)\C(=O)Nc1cocn1 66687197ff76861d0957e53600bce2b5 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.108 C/C=C(/C)\C(=O)Nc1cscn1 2a31097963620de6155dcb9388a9d9e6 [0,0,1,0,0,0|3,0,0]=4 7 B12R1.108 C/C=C(\C)/C(=O)Nc1cocn1 1360097eb7a5c0355d7d3a7740815a51 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.108 C/C=C(\C)/C(=O)Nc1cscn1 38ac3b17b27dd51f5fff5b31485ac761 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.108 CC=C(C)C(=O)Nc1cocn1 b763b891039013c65fed099cebbf1c35 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.108 CC=C(C)C(=O)Nc1cscn1 bc40fed31ed32a542a71654f7f46b0a2 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.108 CCN(C)C(=O)Nc1cocn1 6e244814641b1c0ac585494bbefe5565 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.108 CCN(C)C(=O)Nc1cscn1 e48396c7335e111a1682f578854c6ea6 [0,0,1,0,0,0|2,0,1]=4 13 B12R1.108 CCN(C)C(=O)Nc1nc[nH]n1 d2a1a1427c44812f957565d461ad9b73 [0,0,1,0,0,0|2,0,1]=4 14 B12R1.291 CNC(=O)c1nonc1NC=O ffbc0e6f3eb060d0bed9457cb578592d [0,0,1,0,0,0|1,0,1]=3 15 B12R1.291 CNC(=O)c1sccc1NC=O 5e3a707cb223d36ff0ff456aea18b402 [0,0,1,0,0,0|2,0,0]=3 16 B12R1.291 COC(=O)c1ccsc1NC=O c8e1ab7af923af97d2e651ea9058de50 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.291 COC(=O)c1ncsc1NC=O 11a635212cd3a537835955ab3c892148 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.291 COC(=O)c1nonc1NC=O 31acfecae7bb916d9c15fb6e08533e77 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.291 COC(=O)c1nsnc1NC=O 09aa17843c6fcbc7cb167832c563d7c8 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.291 COC(=O)c1occc1NC=O 628783a0d65b17a96a877d8cdd46e519 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.291 COC(=O)c1sccc1NC=O 7d606a5d9211afc235aba73c23384fca [0,0,1,0,0,0|3,0,0]=4 22 B12R1.291 COC(=O)c1scnc1NC=O b9e311d8b0e7badca34d828530ea0c11 [0,0,1,0,0,0|2,0,0]=3 23 B12R1.544 Cc1ccc(c(=O)n1C)NC=O 468493dc9d12d33d0ae60244eaea886f [0,0,1,0,0,0|3,0,0]=4 24 B11R1.192 Cn1cc(ccc1=O)NC=O 8bdc0647daff7ccd089f7263d5f72742 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.57 CC(=O)Nc1ccsc1C=O 0aef41df3934568f1977a43c6f28f0e2 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.30 O=CCC(=O)Nc1cocn1 8aaad5747380fe8aa8cae419138ac710 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.30 O=CCC(=O)Nc1cscn1 009f615b2f6cc0b9b3d833b2eec1f8c1 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.35 C=C(C)C(=O)Nc1cocn1 69d9f19cb4e29b9f4696237838dfc4d8 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.35 C=C(C)C(=O)Nc1cscn1 12b1006de1d4e552dc43ecdeeac8ab8e [1,0,1,0,0,0|2,0,0]=4 30 B11R1.35 CC(=O)C(=O)Nc1cocn1 5295045455e85875580c215077356818 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.35 CC(=O)C(=O)Nc1cscn1 4e42f05428f03685d53c5526680f96bb [1,0,1,0,0,0|2,0,0]=4 32 B11R1.193 CC(=O)c1ccsc1NC=O f8be89347bfffe99f75fb8e4f00e8034 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.193 CC(=O)c1sccc1NC=O 61acd26217bc83ba066d59432c794964 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.193 NC(=O)c1ccsc1NC=O b96649d716ab22c6460cc91d950e494d [1,0,1,0,0,0|2,0,0]=4 35 B11R1.193 NC(=O)c1ncoc1NC=O eb539162304b6f78a267ca6af85b038f [1,0,1,0,0,0|1,0,1]=4 36 B11R1.193 NC(=O)c1ncsc1NC=O e879e6eb6eb6ed9a2229c6b40b0893c3 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.193 NC(=O)c1nonc1NC=O e8a22e4f961a4e9f7ce99dde1729d3bb [1,0,1,0,0,0|1,0,1]=4 38 B11R1.193 NC(=O)c1nsnc1NC=O b8359a8ef8e68a2aa590490fe3ee7529 [1,0,1,0,0,0|1,0,1]=4 39 B11R1.193 NC(=O)c1sccc1NC=O 6b513a21483ade92f89a676c15b8ead2 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.13 Cn1cccc(c1=O)NC=O 6eed9b27ec3cb9acbbd945f5b97b1919 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.13 Cn1cncc(c1=O)NC=O f0c8b57185e8b88f976acfa574630310 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.81 CCNc1c[nH]c(=O)[nH]c1=O d4c154ec64198d7bd23c8959620cd5f7 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.81 O=c1[nH]cc(c(=O)[nH]1)NCF bdc4a4ab364a92aa1548554a81e8ec09 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.81 O=c1[nH]cc(c(=O)[nH]1)NCO 6b6563a93afc610f2c8880644fc599fb [1,0,1,0,0,0|1,0,1]=4 45 B13R1.136 C=CCNc1cc(=O)n(c(=O)[nH]1)C 6d8b8a9e25007f900713c2afb9ef778e [0,1,1,0,0,0|1,0,1]=4 46 B13R1.136 Cn1c(=O)cc([nH]c1=O)NCC=O 7e8c879cca22fa9e5901c5a3a6b68fa0 [0,1,1,0,0,0|1,0,1]=4 47 B13R1.66 C=CCN(C)C(=O)Nc1cocn1 4d7e9989608f30f3cfeaf42606af92a9 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.66 C=CCN(C)C(=O)Nc1cscn1 ec190290fbfb61ce6606ca507ea64c81 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.66 C=CCN(C)C(=O)Nc1nc[nH]n1 1a365b193f4eb3578fcf46743808a7ac [0,1,1,0,0,0|2,0,0]=4 50 B13R1.66 CC(NC=O)C(=O)Nc1cocn1 597d81d66a8603f783d9b3d660a3a3e7 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.66 CC(NC=O)C(=O)Nc1cscn1 cfa2b0fe7dbb826c711aa810d196188f [0,1,1,0,0,0|2,0,0]=4 52 B13R1.66 C[C@H](NC=O)C(=O)Nc1cocn1 28f1f6fa9d42d9f649bced2e779c7d7a [0,1,1,0,0,0|2,0,0]=4 53 B13R1.66 C[C@H](NC=O)C(=O)Nc1cscn1 21a02ad9772c7c7ad7d998b34342285b [0,1,1,0,0,0|2,0,0]=4 54 B13R1.134 C/C=C(/C)\C(=O)Nc1cn(cn1)C 6421a03f6a4dc1c73719a683cb2a0553 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.134 C/C=C(\C)/C(=O)Nc1cn(cn1)C b902e23e95c86883f6d28664d041e074 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.134 CC=C(C)C(=O)Nc1cn(cn1)C f36bb1904b78f2ee4dbc2e4d988ff303 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.134 CCN(C)C(=O)Nc1cn(cn1)C efb29a48915490df8afd57c9336bd5ea [0,1,1,0,0,0|1,0,1]=4 58 B13R1.208 CCOC(=O)c1scnc1NC=O b527f3c85d247cb2e343a613bdc60582 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.551 CNC(=O)c1sccc1NC(=O)C 7b0a0e919c3858637da2d1a1dea9708c [0,1,1,0,0,0|2,0,0]=4 60 B13R1.581 CNC(=O)c1nc[nH]c1NCC=O 9f04a5232db0c3c555bff9340ab21ed6 [0,1,1,0,0,0|0,0,2]=4 61 B13R1.581 CNC(=O)c1nonc1NCC=O 92c6fca117252d263dda9f5d061460dc [0,1,1,0,0,0|1,0,1]=4 62 B13R1.581 CNC(=O)c1sccc1NCC=O be43b72356f2af58836d2ca51a71b532 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.581 COC(=O)c1scnc1NCC=O 957347cc82792277de7a671353eda929 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.1264 CNC(=O)c1c(cnn1C)NC=O c55ce70707a45c720f5c7e129127ab30 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.1264 COC(=O)c1c(ncn1C)NC=O 2facd3e43fd6ada02586a09be82f937b [0,1,1,0,0,0|1,0,0]=3 66 B13R2.29 Cn1cncc1Nc2c[nH]cn2 6a79dd6d07eab4eb8e4c63aa2f4f27d4 [0,0,1,1,0,0|2,0,0]=4 67 B13R2.29 Cn1cnnc1Nc2c[nH]cn2 02525881e52176cb3ff8a162674ebad3 [0,0,1,1,0,0|2,0,0]=4 68 B13R1.91 CCC(=O)Nc1cnccc1C=O a5c2f676a06e7ec6f720a3748dcb7eee [0,0,1,0,0,1|2,0,0]=4 69 B13R1.91 CCC(=O)Nc1cncnc1C=O 469863bde47f4ee58d3ca9a515a33fc6 [0,0,1,0,0,1|1,0,1]=4 70 B13R1.91 CCC(=O)Nc1ncccc1C=O cbe808339a1c428b4690a52b3d9be5cf [0,0,1,0,0,1|2,0,0]=4 71 B13R1.91 CCC(=O)Nc1nccnc1C=O 448f338a0808dc8217ab8acd37391577 [0,0,1,0,0,1|1,0,1]=4 72 B13R1.91 CCC(=O)Nc1ncncc1C=O b6804f0c53546606b3a368ceea8278e7 [0,0,1,0,0,1|1,0,1]=4 73 B13R1.613 CNC(=O)CNc1[nH]cnc1C=O 9e2a04269d57f9ecd25e79432c7c030a [0,0,1,0,0,1|0,0,2]=4 74 B13R1.613 CNC(=O)CNc1cc[nH]c1C=O 4b3e5a9f0066daa2d6912c62fe2a6ce1 [0,0,1,0,0,1|1,0,0]=3 75 B13R1.613 CNC(=O)CNc1ccoc1C=O edfd45acc130a9891331b9bc130b4bce [0,0,1,0,0,1|2,0,0]=4 76 B13R1.613 CNC(=O)CNc1ccsc1C=O eca764c026f5fb45a93e05264ae06410 [0,0,1,0,0,1|2,0,0]=4 77 B13R1.613 CNC(=O)CNc1nc[nH]c1C#N 2d23dbb24df8cac8069b7cf770014a35 [0,0,1,0,0,1|1,0,1]=4 78 B13R1.613 CNC(=O)CNc1sccc1C=O 669200b5d84ccb53217440795ace44ae [0,0,1,0,0,1|2,0,0]=4 79 B13R1.613 CNC(=O)CNc1scnc1C=O 8447716330dfac1e1446622e4140c43a [0,0,1,0,0,1|1,0,1]=4 80 B13R1.613 COC(=O)CNc1cc[nH]c1C=O 1440bafbce00ed9ff4ff5a9d1348dc76 [0,0,1,0,0,1|2,0,0]=4 81 B13R1.613 O=Cc1[nH]ccc1NCC(=O)NO c99cda860239b1c7acbf1c97bc9640c2 [0,0,1,0,0,1|2,0,0]=4 82 B13R1.554 CCN(C)C(=O)CNc1c[nH]cn1 eec0b3156c827a55a751714d6007471b [0,0,1,0,0,1|1,0,1]=4 83 B13R1.339 CC(NC(=O)c1cnco1)C(=O)N ff250b1ae4040b987db2dcccbe6cf4ff [0,0,1,0,0,1|2,0,0]=4 84 B13R1.339 CC(NC(=O)c1cncs1)C(=O)N 41b2aefbdc6010bd1bf3644213e61522 [0,0,1,0,0,1|2,0,0]=4 85 B13R1.339 C[C@@H](NC(=O)c1cnco1)C(=O)N 8ad4157a75c8ddc78f325bc638ef1a86 [0,0,1,0,0,1|2,0,0]=4 86 B13R1.339 C[C@@H](NC(=O)c1cncs1)C(=O)N b4a0feaee3580d120be6843d08ebcd5a [0,0,1,0,0,1|2,0,0]=4 87 B13R1.339 C[C@H](NC(=O)c1cnco1)C(=O)N e7268e3882ae338295654f8523192fe3 [0,0,1,0,0,1|2,0,0]=4 88 B13R1.339 C[C@H](NC(=O)c1cncs1)C(=O)N deb63a41772f26098da4da64b7f28409 [0,0,1,0,0,1|2,0,0]=4 89 B13R1.340 CN(CC(=O)N)C(=O)c1ccco1 0f96bcaab610a3f1541f2cc22f08f953 [0,0,1,0,0,1|2,0,0]=4 90 B13R1.340 CN(CC(=O)N)C(=O)c1cccs1 6d9a101d8648041911c3d2d0104ef983 [0,0,1,0,0,1|2,0,0]=4 91 B13R1.340 CN(CC(=O)N)C(=O)c1ccno1 cae18fd9809c90ebdbd0a3ed764f1dac [0,0,1,0,0,1|2,0,0]=4 92 B13R1.340 CN(CC(=O)N)C(=O)c1ccns1 a477aaa9229adb3557cb448ca7348f29 [0,0,1,0,0,1|2,0,0]=4 93 B13R1.340 CN(CC(=O)N)C(=O)c1ccoc1 8104c5e38e71799130f2fcc5053ba9a1 [0,0,1,0,0,1|2,0,0]=4 94 B13R1.340 CN(CC(=O)N)C(=O)c1ccsc1 ab88044c76f97d08dcc0122acabb31fe [0,0,1,0,0,1|2,0,0]=4 95 B13R1.340 CN(CC(=O)N)C(=O)c1cnco1 fb5d9389944c873d3b79e1ebefdeae74 [0,0,1,0,0,1|1,0,0]=3 96 B13R1.340 CN(CC(=O)N)C(=O)c1cncs1 fa391d82c7d50cd79b1066a08c4f2aa5 [0,0,1,0,0,1|1,0,0]=3 97 B13R1.340 CN(CC(=O)N)C(=O)c1cnns1 14ca83a87a5e089f6a29401e933c992f [0,0,1,0,0,1|2,0,0]=4 98 B13R1.340 CN(CC(=O)N)C(=O)c1cnoc1 51d834306e500883fd32627d3031aab1 [0,0,1,0,0,1|2,0,0]=4 99 B13R1.340 CN(CC(=O)N)C(=O)c1cnon1 9c0fdee37b95c22af1a8f9530a416d88 [0,0,1,0,0,1|1,0,1]=4 100 B13R1.340 CN(CC(=O)N)C(=O)c1cnsc1 a162937b36c8ea2ea738d47883878eaf [0,0,1,0,0,1|2,0,0]=4 101 B13R1.340 CN(CC(=O)N)C(=O)c1cnsn1 f2d65db6bb01748fad6e3e5451acb84d [0,0,1,0,0,1|1,0,1]=4 102 B13R1.340 CN(CC(=O)N)C(=O)c1cocn1 5843e8b373f41108e71ebef898f28755 [0,0,1,0,0,1|1,0,1]=4 103 B13R1.340 CN(CC(=O)N)C(=O)c1cscn1 485b8f11d16bf38920ce143362aea989 [0,0,1,0,0,1|1,0,1]=4 104 B13R1.340 CN(CC(=O)N)C(=O)c1ncns1 30bc1e58c423a9c2b1c47d6a55ce8e48 [0,0,1,0,0,1|1,0,1]=4 105 B13R1.340 CN(CC(=O)N)C(=O)c1nnco1 f1faba9993dc5450da759299f6d59fac [0,0,1,0,0,1|2,0,0]=4 106 B13R1.374 CNC(=O)c1cccc(c1)NC=O 94c000669f1503216a84fe3680f070d0 [0,0,1,0,0,1|2,0,0]=4 107 B13R1.374 CNC(=O)c1ccnc(c1)NC=O af825cac52f3d5d5b4a946cf31ebc983 [0,0,1,0,0,1|1,0,0]=3 108 B13R1.374 COC(=O)c1cc(ncn1)NC=O ea595b7afbf596835775433cd36a05a7 [0,0,1,0,0,1|1,0,1]=4 109 B13R1.374 COC(=O)c1ccnc(c1)NC=O e77a6efda2f2187a19f5f0e1582324f7 [0,0,1,0,0,1|2,0,0]=4 110 B13R1.382 CNC(=O)c1ccccc1NC=O d3df0661651a92c53531b1af96ead53a [0,0,1,0,0,1|2,0,0]=4 111 B13R1.382 CNC(=O)c1cccnc1NC=O c8f1bd42d9eb9801bb484808532dd030 [0,0,1,0,0,1|1,0,0]=3 112 B13R1.382 CNC(=O)c1ccncc1NC=O 4051efef63bfbd8d44cf173716348722 [0,0,1,0,0,1|1,0,0]=3 113 B13R1.382 CNC(=O)c1cnccc1NC=O bdfd3b8056fae3c5ae7f23a328277bb4 [0,0,1,0,0,1|1,0,1]=4 114 B13R1.382 CNC(=O)c1nccnc1NC=O 0d1a5eb11f76c29c7cff4eed27bfc5c8 [0,0,1,0,0,1|0,0,1]=3 115 B13R1.382 COC(=O)c1cccnc1NC=O e8d7b25b637b38bbd3e820dacafb863d [0,0,1,0,0,1|2,0,0]=4 116 B13R1.382 COC(=O)c1ccncc1NC=O b6b0fd6adddb0c21f94b21a06cb69fe2 [0,0,1,0,0,1|2,0,0]=4 117 B13R1.382 COC(=O)c1ccnnc1NC=O facfd44ae899356d537dd0ff272b178e [0,0,1,0,0,1|2,0,0]=4 118 B13R1.382 COC(=O)c1cncnc1NC=O 1e62c4853f4377528116f60346973d09 [0,0,1,0,0,1|1,0,1]=4 119 B13R1.382 COC(=O)c1nccnc1NC=O e103157f2748d616fc505493bafaea8d [0,0,1,0,0,1|1,0,1]=4 120 B13R1.382 COC(=O)c1ncncc1NC=O d134099d43272cff830b7549abece7d8 [0,0,1,0,0,1|1,0,1]=4