0 B10R1.10 CCNc1cc(ncn1)Br 697814c9cbc9020b63a5753161ff4203 [0,0,1,0,0,0|2,0,1]=4 1 B10R1.10 CCNc1cc(ncn1)C b1c6d3b0277aa9e6703ce1ebdf90b7a8 [0,0,1,0,0,0|2,0,1]=4 2 B10R1.10 CCNc1cc(ncn1)Cl 239d70edd51b7cabd71ee9f51e9168e1 [0,0,1,0,0,0|2,0,1]=4 3 B10R1.10 CCNc1cc(ncn1)F 63c6e5d5591a8b901f5b07e2aee5ee2a [0,0,1,0,0,0|2,0,1]=4 4 B10R1.10 CCNc1cc(ncn1)I 53bfc57cd09616ab42770ff3469a11d0 [0,0,1,0,0,0|2,0,1]=4 5 B10R1.10 Cc1cc(ncn1)NCF 120cc88af2651d8cc5aee06302219807 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.10 Cc1cc(ncn1)NCO 584c215f23b53614acfda3e0bcb50f95 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.10 FCNc1cc(ncn1)Br 53001d78a3014360b4383aa851fef561 [0,0,1,0,0,0|3,0,0]=4 8 B10R1.10 FCNc1cc(ncn1)Cl 587e7b687a9fc8eb1df86b59ec8fddc1 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.10 FCNc1cc(ncn1)F 5ede4d17328c499c852f57825129f3c5 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.10 FCNc1cc(ncn1)I 264dd46023f0ea9e2a52d563e9635d6a [0,0,1,0,0,0|3,0,0]=4 11 B10R1.10 O=CNc1cc(ccn1)O f7c20b6003f2bd2dd1237de57a7e5881 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.10 O=CNc1ccnc(c1)O fac658cfc4c685e81e63118107e23109 [0,0,1,0,0,0|3,0,0]=4 13 B10R1.10 OCNc1cc(ncn1)Br a34705796134d385a7c3a8adec776786 [0,0,1,0,0,0|3,0,0]=4 14 B10R1.10 OCNc1cc(ncn1)Cl 868164745f56291a6ec9f99b651a93e9 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.10 OCNc1cc(ncn1)F 8608bea3ed2e596dcc86777d64522e21 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.10 OCNc1cc(ncn1)I 697fc15f1966307fb2d525ce3839fcee [0,0,1,0,0,0|3,0,0]=4 17 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,1,0,0,0|1,0,1]=4 18 B9R1.8 FCNc1ccncn1 3985bc8bdaefccce56c4c94f092d4343 [1,0,1,0,0,0|2,0,0]=4 19 B9R1.8 O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [1,0,1,0,0,0|2,0,0]=4 20 B9R1.8 OCNc1ccncn1 5807087c5c4108ffa8c52d7444f962d7 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.24 C=CCNc1cc(ncn1)Br caaf3b722b7a9b8a44563e2ccb363be3 [0,1,1,0,0,0|2,0,0]=4 22 B11R1.24 C=CCNc1cc(ncn1)C bace35bf2e0b63f5965d95aeb71d39e0 [0,1,1,0,0,0|2,0,0]=4 23 B11R1.24 C=CCNc1cc(ncn1)Cl 98761dd95b95e2d63d417513f7a378b4 [0,1,1,0,0,0|2,0,0]=4 24 B11R1.24 C=CCNc1cc(ncn1)F 63b81488f760e2396613565c26aa4f74 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.24 C=CCNc1cc(ncn1)I ca3b76953b7ee9275e71ec7b0d795271 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.24 Cc1cc(ncn1)NCC=O 66fa0f7244ff0924e2cb83facda25889 [0,1,1,0,0,0|2,0,0]=4 27 B11R1.24 O=CCNc1cc(ncn1)Br 923c471a093bb4531d6bf88e58d7d9e5 [0,1,1,0,0,0|2,0,0]=4 28 B11R1.24 O=CCNc1cc(ncn1)Cl d572b6eb50b06086074e3d6b53f1abca [0,1,1,0,0,0|2,0,0]=4 29 B11R1.24 O=CCNc1cc(ncn1)F ad231e1bf788d40eed2d6057e0ac631c [0,1,1,0,0,0|2,0,0]=4 30 B11R1.24 O=CCNc1cc(ncn1)I 40f529cc64af090e5d9bd345a40501a4 [0,1,1,0,0,0|2,0,0]=4 31 B11R1.34 O=CNc1cc(nc(n1)Cl)O 9c8564e739024bf5cc07ac034276a364 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.189 CCNc1cc(ncn1)OC 2d84ed31e973d671bba4d48ac73f8d47 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.189 COc1cc(ncn1)NCF f9580dbf2764c7e7db59dcfd8f20df30 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.189 COc1cc(ncn1)NCO 1fce1fcdd37f2d4ac09c46d15a491a70 [0,1,1,0,0,0|2,0,0]=4 35 B13R2.292 CCNc1ccnc2c1cn[nH]2 dd20ca1fe17970ff7498ede6532c6de1 [0,2,0,0,0,0|2,0,0]=4 36 B13R2.292 CCNc1nccc2c1cn[nH]2 1d032c96d3406391ff8a5d5249053998 [0,2,0,0,0,0|2,0,0]=4 37 B13R2.292 CCNc1ncnc2c1cc[nH]2 ec5d21eed802de102b868ae1f471ea29 [0,2,0,0,0,0|2,0,0]=4 38 B13R2.292 CCNc1ncnc2c1cn[nH]2 3b576b81aeced527bbdf405920f30606 [0,2,0,0,0,0|1,0,0]=3 39 B13R2.292 CCNc1ncnc2c1nn[nH]2 0208bfad01c85241bae06603f8a306f8 [0,2,0,0,0,0|2,0,0]=4 40 B13R2.292 CCOc1cccc2c1cn[nH]2 b4d1d33d735270b5878c16e06a89e08c [0,2,0,0,0,0|2,0,0]=4 41 B13R2.292 CCOc1ccnc2c1cc[nH]2 3689cf070fdb230fc909afe483641437 [0,2,0,0,0,0|2,0,0]=4 42 B13R2.292 CCOc1ccnc2c1cn[nH]2 fb35d7735c97156816301216e69e7ef1 [0,2,0,0,0,0|1,0,0]=3 43 B13R2.292 CCOc1nccc2c1cc[nH]2 c4ba9b6a9d35e0382b7364a1d54a4214 [0,2,0,0,0,0|2,0,0]=4 44 B13R2.292 CCOc1ncnc2c1[nH]nc2 409236099abf5468d581df948b57ff7e [0,2,0,0,0,0|2,0,0]=4 45 B13R2.292 CCOc1ncnc2c1cc[nH]2 d67176a177230cae27b9fced611ac703 [0,2,0,0,0,0|1,0,0]=3 46 B13R2.292 CCOc1ncnc2c1cn[nH]2 6785078aba04ed522e0bc646f9a1c794 [0,2,0,0,0,0|0,0,0]=2 47 B13R2.292 CCOc1ncnc2n1cnn2 e64205b7d6a7210809ea807250879186 [0,2,0,0,0,0|1,0,1]=4 48 B13R2.292 FCNc1ccnc2c1cn[nH]2 bba9ddaefa91203cdb4c1f74f7415be5 [0,2,0,0,0,0|2,0,0]=4 49 B13R2.292 FCNc1nccc2c1cn[nH]2 c966fac5a1608b47871d4a20cd641649 [0,2,0,0,0,0|2,0,0]=4 50 B13R2.292 FCNc1ncnc2c1cc[nH]2 f086e6306e6a6e2ae3deb4d4dd8bed9f [0,2,0,0,0,0|2,0,0]=4 51 B13R2.292 FCNc1ncnc2c1cn[nH]2 b372e2574da230d0865682207b2d2b4d [0,2,0,0,0,0|1,0,0]=3 52 B13R2.292 FCNc1ncnc2c1nn[nH]2 1e85292b4eea938caf2a2a3872ab95d0 [0,2,0,0,0,0|2,0,0]=4 53 B13R2.292 FCOc1cccc2c1cn[nH]2 e65520a844048af6fb9c9436d47b4b2b [0,2,0,0,0,0|2,0,0]=4 54 B13R2.292 FCOc1ccnc2c1cc[nH]2 16efaf550b9a8f45b0593381819786b6 [0,2,0,0,0,0|2,0,0]=4 55 B13R2.292 FCOc1ccnc2c1cn[nH]2 1795c8a2a0b4c49595a9bfbf4f1f33e5 [0,2,0,0,0,0|1,0,0]=3 56 B13R2.292 FCOc1nccc2c1cc[nH]2 9004b54728db8fa0d0cf15e97511278f [0,2,0,0,0,0|2,0,0]=4 57 B13R2.292 FCOc1ncnc2c1[nH]nc2 f2b854dd8e1056a90cbce53b21dd1e8d [0,2,0,0,0,0|2,0,0]=4 58 B13R2.292 FCOc1ncnc2c1cc[nH]2 8bcd25579721c9a934475c372acf3858 [0,2,0,0,0,0|1,0,0]=3 59 B13R2.292 FCOc1ncnc2c1cn[nH]2 91a331124df0040e3cbc0ba66e7b6d9a [0,2,0,0,0,0|0,0,0]=2 60 B13R2.292 FCOc1ncnc2n1cnn2 b38b1e931aab48c8333c03521fd21c37 [0,2,0,0,0,0|1,0,1]=4 61 B13R2.292 OCNc1cccc2c1cn[nH]2 ffcfa74156e5174ed0c1837db7455ca8 [0,2,0,0,0,0|2,0,0]=4 62 B13R2.292 OCNc1ccnc2c1cc[nH]2 fb34ca0fec942f227357adbcef191b9b [0,2,0,0,0,0|2,0,0]=4 63 B13R2.292 OCNc1ccnc2c1cn[nH]2 0ccea6e0f6d96a013cbe9c0f084b4487 [0,2,0,0,0,0|1,0,0]=3 64 B13R2.292 OCNc1nccc2c1cc[nH]2 7940bec569cf0d009704c1858eea1454 [0,2,0,0,0,0|2,0,0]=4 65 B13R2.292 OCNc1nccc2c1cn[nH]2 6253acc8a9093aeba22a39ba35fb437a [0,2,0,0,0,0|1,0,0]=3 66 B13R2.292 OCNc1ncnc2c1[nH]nc2 01fd23270496ebed694c770a9c8b8fa6 [0,2,0,0,0,0|2,0,0]=4 67 B13R2.292 OCNc1ncnc2c1cc[nH]2 7b1055ef8939f2c5ee6c7c4f14433189 [0,2,0,0,0,0|1,0,0]=3 68 B13R2.292 OCNc1ncnc2c1cco2 79cb93dce7d5237f1e75a1fc2830c0ae [0,2,0,0,0,0|2,0,0]=4 69 B13R2.292 OCNc1ncnc2c1ccs2 53c9aa3e7d0fa3f5cc2e6bf258e8f24d [0,2,0,0,0,0|2,0,0]=4 70 B13R2.292 OCNc1ncnc2c1cn[nH]2 254c4e0b24df65756b477244c6389a64 [0,2,0,0,0,0|0,0,0]=2 71 B13R2.292 OCNc1ncnc2c1nc[nH]2 d926437a9042ea5a6826c8a50ba0a5ad [0,2,0,0,0,0|2,0,0]=4 72 B13R2.292 OCNc1ncnc2c1nn[nH]2 4d84e40830f013573046ceeb187be57b [0,2,0,0,0,0|1,0,0]=3 73 B13R2.292 OCNc1ncnc2n1cnn2 3af6b783c8e7be98051a44bbe866f392 [0,2,0,0,0,0|1,0,1]=4 74 B11R2.2 c1c[nH]c(n1)c2cn[nH]c2 6e4492a5ca4cc3e790e25e75dc6e5a30 [0,0,1,1,0,0|2,0,0]=4 75 B11R2.2 c1cc([nH]n1)c2cn[nH]c2 6a27585fd17db7762f3cf46b95f1ffba [0,0,1,1,0,0|2,0,0]=4 76 B11R2.2 c1cc(on1)c2cc[nH]c2 c4727a7261c7534559013513605e2455 [0,0,1,1,0,0|2,0,0]=4 77 B11R2.2 c1cc(on1)c2cn[nH]c2 8ce9967c76d207a977b29b979877fd92 [0,0,1,1,0,0|1,0,0]=3 78 B11R2.2 c1cc(on1)c2cnoc2 770d8b26eaa44a1626edb8198140bdbd [0,0,1,1,0,0|2,0,0]=4 79 B11R2.2 c1cc(on1)c2cnsc2 41f6a6a60d0e8ebe0696c33f4cae4d8b [0,0,1,1,0,0|2,0,0]=4 80 B11R2.2 c1cc(sn1)c2cn[nH]c2 b6207a1794fce25f2a639cc16f3a8b20 [0,0,1,1,0,0|1,1,0]=4 81 B11R2.2 c1coc(c1)c2cn[nH]c2 86a9c361c10112a239fb74e6cb00b442 [0,0,1,1,0,0|2,0,0]=4 82 B11R2.2 c1coc(n1)c2cc[nH]c2 811a397af212f25fae62676f9092a205 [0,0,1,1,0,0|2,0,0]=4 83 B11R2.2 c1coc(n1)c2cn[nH]c2 10b46c5ab25d2fd9b2196be06dd33303 [0,0,1,1,0,0|1,0,0]=3 84 B11R2.2 c1coc(n1)c2cnoc2 1e3b83ee9ff4ad0667f762bf8efd8d21 [0,0,1,1,0,0|2,0,0]=4 85 B11R2.2 c1coc(n1)c2cnsc2 b6c15b9a2473acc5d5bdb99532544975 [0,0,1,1,0,0|2,0,0]=4 86 B11R2.2 c1csc(n1)c2cn[nH]c2 21aff9316de416a817285548fc947648 [0,0,1,1,0,0|1,1,0]=4 87 B11R2.2 c1n[nH]cc1c2cnsn2 6f213391c02599fbfaaa4c2d3162a22a [0,0,1,1,0,0|2,0,0]=4 88 B11R2.2 c1n[nH]cc1c2nn[nH]n2 62f8ebffeb75accc024c2970ffd24a25 [0,0,1,1,0,0|2,0,0]=4 89 B11R2.2 c1nc(c[nH]1)c2cn[nH]c2 52b0f375fc213ad0cbfb449fcaf9a262 [0,0,1,1,0,0|1,0,1]=4 90 B11R2.2 c1nc(co1)c2cn[nH]c2 41c8f4f251af5dd607883d90e7659af7 [0,0,1,1,0,0|2,0,0]=4 91 B11R2.2 c1nc(cs1)c2cn[nH]c2 62e97464732384fd28a9a70d3cbb43c5 [0,0,1,1,0,0|2,0,0]=4 92 B11R2.2 c1nc(n[nH]1)c2cn[nH]c2 e5f3185d410088ddeeb5c100fd94059c [0,0,1,1,0,0|1,0,1]=4 93 B11R2.2 c1nc(ns1)c2cn[nH]c2 71995559333301794f9bb6a50bc8b2b1 [0,0,1,1,0,0|2,0,0]=4 94 B11R2.2 c1ncc(o1)c2cn[nH]c2 a3f81edfb023acbe18e083051bc776e1 [0,0,1,1,0,0|2,0,0]=4 95 B11R2.2 c1ncc(s1)c2cn[nH]c2 163be9094976f4926a95b9529dea0a6a [0,0,1,1,0,0|2,0,0]=4 96 B11R2.2 c1nnc(o1)c2cn[nH]c2 da44e99c54d89de84e0b0c098bba940f [0,0,1,1,0,0|2,0,0]=4 97 B11R2.2 c1nnc(s1)c2cn[nH]c2 160e7b970559b945ad837f0f40da8d0d [0,0,1,1,0,0|2,0,0]=4 98 B11R2.2 c1nsc(n1)c2cc[nH]c2 3cf80e01568c2521658f381a7dacc69b [0,0,1,1,0,0|1,1,0]=4 99 B11R2.2 c1nsc(n1)c2cn[nH]c2 abe6984a4717e73819b36f8a1183034b [0,0,1,1,0,0|0,1,0]=3 100 B11R2.2 c1nsc(n1)c2cnoc2 7298ac4aab1d54adad0de85e09e738fc [0,0,1,1,0,0|1,1,0]=4 101 B11R2.2 c1nsc(n1)c2cnsc2 a7cd62461d1338824c60405a63fcaf4e [0,0,1,1,0,0|1,1,0]=4