0 B25R3.362531453 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(cc1O)Br Amb1028658 [0,0,0,0,0,0|0,0,0]=0 1 B24R3.69769831 COc1cc(\C=C(\C#N)/c2[n]c3ccccc3o2)ccc1O Amb22080522 [1,0,0,0,0,0|1,0,0]=2 2 B24R3.69769831 COc1cc(ccc1O)\C=C(\c2nc3c([nH]2)cccc3)/C#N Amb1782509 [1,0,0,0,0,0|0,0,0]=1 3 B24R3.69769831 N#C\C(=C/c1ccc(c(c1)OC)O)\c2nc3c(o2)cccc3 Amb1208247 [1,0,0,0,0,0|1,0,0]=2 4 B24R3.69769831 N#C\C(=C/c1ccc(c(c1)OC)O)\c2nc3c(s2)cccc3 Amb1585042 [1,0,0,0,0,0|1,0,0]=2 5 B26R3.67008465 COc1cc(\C=C(\C#N)/c2[nH]c3ccccc3[n]2)c(Br)cc1OC Amb24215371 [0,1,0,0,0,0|0,0,0]=1 6 B26R3.67008465 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(cc1OC)Br Amb1041276 [0,1,0,0,0,0|0,0,0]=1 7 B26R3.67008465 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(cc1OC)Br Amb2224198 [0,1,0,0,0,0|0,0,0]=1 8 B26R3.67036777 N#C\C(=C/c1cc(OC)c(cc1Br)O)\c2nc3c([nH]2)ccc(c3)C Amb1036374 [0,1,0,0,0,0|0,0,0]=1 9 B26R3.67036777 N#C\C(=C\c1cc(OC)c(cc1Br)O)\c2nc3c([nH]2)ccc(c3)C Amb10243977 [0,1,0,0,0,0|0,0,0]=1 10 B26R3.1285631945 CCOc1cc(\C=C(/c2nc3c([nH]2)cccc3)\C#N)c(cc1O)Br Amb1831771 [0,1,0,0,0,0|0,0,0]=1 11 B26R4.163491530 N#C\C(=C/c1cc2OCOc2cc1Br)\c3nc4c([nH]3)cccc4 Amb1021420 [0,0,0,1,0,0|0,0,0]=1 12 B23R2.67355 N#C\C(=C/c1ccc(c(c1)OC)O)\C(=O)Nc2ccccc2 Amb1030280 [1,0,1,0,0,0|1,0,0]=3 13 B23R2.67355 N#C\C(=C/c1ccc(c(c1)OC)O)\C(=O)Nc2ccccn2 Amb2317954 [1,0,1,0,0,0|2,0,0]=4 14 B23R3.20672104 N#C\C(=C/c1cc(Br)ccc1F)\c2nc3c([nH]2)cccc3 Amb1926470 [2,0,0,0,0,0|1,1,0]=4 15 B23R3.20672104 N#C\C(=C/c1cc(C)ccc1C)\c2nc3c(s2)cccc3 Amb16004 [2,0,0,0,0,0|2,0,0]=4 16 B23R3.20672104 N#C\C(=C\c1cc(Br)ccc1O)\c2nc3c([nH]2)cccc3 Amb1350601 [2,0,0,0,0,0|2,0,0]=4 17 B23R3.228481148 COc1cccc(c1)\C=C(\c2nc3c([nH]2)cccc3)/C#N Amb1571313 [2,0,0,0,0,0|0,0,0]=2 18 B23R3.228481148 COc1cccc(c1)\C=C(\c2nc3c(o2)cccc3)/C#N Amb2476654 [2,0,0,0,0,0|1,0,0]=3 19 B23R3.228481148 COc1cccc(c1)\C=C(\c2nc3c(s2)cccc3)/C#N Amb1042969 [2,0,0,0,0,0|1,0,0]=3 20 B23R3.228481148 N#Cc1cc(\C=C(/C#N)\c2[nH]c3ccccc3[n]2)ccc1 Amb19255947 [2,0,0,0,0,0|2,0,0]=4 21 B23R3.20792141 N#C\C(=C/c1ccc(c(c1)Br)O)\c2nc3c([nH]2)cccc3 Amb1927449 [2,0,0,0,0,0|1,0,0]=3 22 B23R3.20792141 N#C\C(=C/c1ccc(c(c1)Cl)O)\c2nc3c([nH]2)cccc3 Amb1879089 [2,0,0,0,0,0|1,0,0]=3 23 B23R3.20792141 N#C\C(=C/c1ccc(c(c1)I)O)\c2nc3c([nH]2)cccc3 Amb1878950 [2,0,0,0,0,0|1,0,0]=3 24 B23R3.20792141 N#C\C(=C/c1ccc(c(c1)O)O)\c2nc3c([nH]2)cccc3 Amb1927450 [2,0,0,0,0,0|0,0,0]=2 25 B23R3.20792141 N#C\C(=C/c1ccc(c(c1)O)O)\c2nc3c(s2)cccc3 Amb1657488 [2,0,0,0,0,0|1,0,0]=3 26 B23R3.20792141 N#C\C(=C\c1ccc(c(c1)Br)C)\c2nc3c([nH]2)cccc3 Amb1931405 [2,0,0,0,0,0|2,0,0]=4 27 B23R3.20792141 N#C\C(=C\c1ccc(c(c1)Cl)Cl)\c2nc3c([nH]2)cccc3 Amb2566727 [2,0,0,0,0,0|2,0,0]=4 28 B23R3.42422079 N#C\C(=C/c1ccc(cc1C)C)\c2nc3c([nH]2)cccc3 Amb2246100 [2,0,0,0,0,0|2,0,0]=4 29 B23R3.42422079 N#C\C(=C/c1ccc(cc1Cl)Cl)\c2nc3c([nH]2)cccc3 Amb1551891 [2,0,0,0,0,0|1,1,0]=4 30 B23R3.42422079 N#C\C(=C/c1ccc(cc1O)Br)\c2nc3c([nH]2)cccc3 Amb2245840 [2,0,0,0,0,0|2,0,0]=4 31 B25R3.93110178 COc1cc(\C=C(\C#N)/c2[n]c3ccccc3[s]2)c(cc1)OC Amb22073308 [1,1,0,0,0,0|2,0,0]=4 32 B25R3.93110178 COc1ccc(c(c1)\C=C(\c2nc3c([nH]2)cccc3)/C#N)OC Amb1927398 [1,1,0,0,0,0|1,0,0]=3 33 B25R3.93110178 COc1ccc(c(c1)\C=C(\c2nc3c(s2)cccc3)/C#N)OC Amb1042931 [1,1,0,0,0,0|2,0,0]=4 34 B25R3.7173956 COc1cc(ccc1O)\C=C(\c2nc3c(n2C)cccc3)/C#N Amb2552320 [1,1,0,0,0,0|0,0,0]=2 35 B25R3.77144069 Cc1ccc(cc1OC)C(=O)C(C#N)c2[nH]c3ccccc3[n]2 Amb21160342 [1,1,0,0,0,0|1,0,1]=4 36 B25R3.221455814 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)cc(c1O)Br Amb1021419 [1,1,0,0,0,0|0,0,0]=2 37 B25R3.221455814 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)cc(c1O)I Amb1891369 [1,1,0,0,0,0|0,0,0]=2 38 B25R3.221455814 N#C\C(=C/c1cc(Br)c(c(c1)OC)O)\c2nc3c(s2)cccc3 Amb1226886 [1,1,0,0,0,0|1,0,0]=3 39 B25R3.221455814 N#C\C(=C/c1cc(Cl)c(c(c1)OC)O)\c2nc3c(s2)cccc3 Amb1039430 [1,1,0,0,0,0|1,0,0]=3 40 B25R3.237464249 CCOc1cc(ccc1O)\C=C(\c2nc3c([nH]2)cccc3)/C#N Amb1351943 [1,1,0,0,0,0|0,0,0]=2 41 B25R3.237464249 CCOc1cc(ccc1O)\C=C(\c2nc3c(s2)cccc3)/C#N Amb1571189 [1,1,0,0,0,0|1,0,0]=3 42 B25R3.258542520 N#C\C(=C/c1ccc(c(c1)[N+](=O)[O-])O)\c2nc3c([nH]2)cccc3 Amb1041218 [1,1,0,0,0,0|2,0,0]=4 43 B25R3.1260297052 COc1cc(\C=C(/C#N)\c2[nH]c3ccccc3[n]2)ccc1OC Amb22282189 [1,1,0,0,0,0|0,0,0]=2 44 B25R3.1260297052 COc1cc(\C=C(\C#N)/c2[n]c3ccccc3o2)ccc1OC Amb24225285 [1,1,0,0,0,0|1,0,0]=3 45 B25R3.1260297052 COc1cc(ccc1OC)\C=C(\c2nc3c([nH]2)cccc3)/C#N Amb1030146 [1,1,0,0,0,0|0,0,0]=2 46 B25R3.1260297052 COc1cc(ccc1SC)C=C(c2nc3c([nH]2)cccc3)C#N Amb15218561 [1,1,0,0,0,0|0,1,0]=3 47 B25R3.1260297052 N#C\C(=C/c1ccc(c(c1)OC)OC)\c2nc3c(o2)cccc3 Amb1210342 [1,1,0,0,0,0|1,0,0]=3 48 B25R3.1260297052 N#C\C(=C/c1ccc(c(c1)OC)OC)\c2nc3c(s2)cccc3 Amb1026805 [1,1,0,0,0,0|1,0,0]=3 49 B25R3.1260297052 N#C\C(=C\c1ccc(c(c1)OC)OC)\c2nc3c(s2)cccc3 Amb2223233 [1,1,0,0,0,0|1,0,0]=3 50 B25R3.35908166 N#C\C(=C/c1cc(C)c(cc1C)C)\c2[nH]c3c(n2)cc(cc3)C Amb1034283 [1,1,0,0,0,0|2,0,0]=4 51 B25R3.390462697 N#C\C(=C/c1cc(Br)c(c(c1O)Br)O)\c2nc3c([nH]2)cccc3 Amb1021407 [1,1,0,0,0,0|2,0,0]=4 52 B27R3.444566479 Cc1cc2[n]c([nH]c2cc1)\C(=C\c3cc(OC)c(cc3Br)OC)\C#N Amb22282575 [0,2,0,0,0,0|0,0,0]=2 53 B27R3.444566479 N#C\C(=C/c1cc(OC)c(cc1Br)OC)\c2nc3c([nH]2)ccc(c3)C Amb1026596 [0,2,0,0,0,0|0,0,0]=2 54 B27R3.444566514 COc1cc(OC)c(cc1\C=C(\c2nc3c([nH]2)cccc3)/C#N)OC Amb1234256 [0,2,0,0,0,0|1,0,0]=3 55 B27R3.444566514 COc1cc(\C=C(\C#N)/c2[nH]c3ccccc3[n]2)c(cc1OC)OC Amb24215307 [0,2,0,0,0,0|1,0,0]=3 56 B27R3.444566514 COc1cc(\C=C(\C#N)/c2[n]c3ccccc3[s]2)c(cc1OC)OC Amb22073313 [0,2,0,0,0,0|2,0,0]=4 57 B27R3.98704539 Cc1cc2[n]c([nH]c2cc1)\C(=C/c3cc(OCC)c(O)cc3Br)\C#N Amb23501776 [0,2,0,0,0,0|0,0,0]=2 58 B27R3.1131298117 N#C\C(=C/c1cc(OC)c(cc1Br)O)\c2[nH]c3c(n2)cc(c(c3)C)C Amb10773827 [0,2,0,0,0,0|0,0,0]=2 59 B27R3.1284909019 CCOc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(c(c1O)Br)Br Amb1087545 [0,2,0,0,0,0|0,0,0]=2 60 B27R3.1284909019 CCOc1cc(\C=C(\c2nc3c(s2)cccc3)/C#N)c(c(c1O)Br)Br Amb1898637 [0,2,0,0,0,0|1,0,0]=3 61 B25R4.56890355 N#C\C(=C/c1ccc2c(c1)OCO2)\c3nc4c([nH]3)cccc4 Amb1151938 [1,0,0,1,0,0|0,0,0]=2 62 B25R4.56890355 N#C\C(=C/c1ccc2c(c1)OCO2)\c3nc4c(s3)cccc4 Amb1149530 [1,0,0,1,0,0|1,0,0]=3 63 B27R4.45333029 COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1O Amb17913512 [0,0,0,1,0,1|1,0,1]=4 64 B27R4.32811621 Cc1cc2[nH]c([n]c2cc1)\C(=C\c3cc4OCOc4cc3Cl)\C#N Amb20228989 [0,1,0,1,0,0|0,1,0]=3 65 B27R4.32811621 N#C\C(=C/c1cc2OCOc2cc1Br)\c3nc4c([nH]3)ccc(c4)C Amb1021429 [0,1,0,1,0,0|0,0,0]=2 66 B27R4.32811621 N#C\C(=C\c1cc2OCOc2cc1Cl)\c3nc4c([nH]3)ccc(c4)C Amb1882660 [0,1,0,1,0,0|0,1,0]=3 67 B27R4.41898857 COc1cc2OCOc2cc1\C=C(\c3nc4c([nH]3)cccc4)/C#N Amb1810910 [0,1,0,1,0,0|1,0,0]=3 68 B25R3.103861773 COc1c(Br)cc(cc1\C=C(\c2nc3c([nH]2)cccc3)/C#N)Br Amb1021412 [0,0,0,0,1,1|1,0,0]=3 69 B25R3.103861773 COc1c(Cl)cc(cc1\C=C(\c2nc3c([nH]2)cccc3)/C#N)Cl Amb1041219 [0,0,0,0,1,1|1,1,0]=4