0 B30R4.10970550 COc1cc(ccc1C#N)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100011999456_100000261305 [0,0,0,0,0,0|3,0,0]=3 1 B30R4.10970550 COc1cc(ccc1CO)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100012183141_100000261305 [0,0,0,0,0,0|3,0,0]=3 2 B30R4.10970550 COc1cc(ccc1CO)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100011277633 [0,0,0,0,0,0|4,0,0]=4 3 B30R4.10970550 COc1cc(ccc1CO)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100011277633_100000261305 [0,0,0,0,0,0|4,0,0]=4 4 B30R4.10970550 COc1cc(cnc1OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010234541 [0,0,0,0,0,0|3,0,0]=3 5 B30R4.10970550 COc1cc(nnc1OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_200000095610 [0,0,0,0,0,0|4,0,0]=4 6 B30R4.10970550 COc1ccc(cc1C#N)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100011204338_100000261305 [0,0,0,0,0,0|3,0,0]=3 7 B30R4.10970550 COc1ccc(cc1CN)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100000690498 [0,0,0,0,0,0|4,0,0]=4 8 B30R4.10970550 COc1ccc(cc1CN)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000690498_100000261305 [0,0,0,0,0,0|4,0,0]=4 9 B30R4.10970550 COc1ccc(cc1CO)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000204679_100000261305 [0,0,0,0,0,0|4,0,0]=4 10 B30R4.10970550 COc1ccc(cc1CO)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100000204679 [0,0,0,0,0,0|4,0,0]=4 11 B30R4.10970550 COc1ccc(nc1OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010214848 [0,0,0,0,0,0|3,0,0]=3 12 B30R4.10970550 COc1cnc(nc1OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010280452 [0,0,0,0,0,0|4,0,0]=4 13 B30R4.10970550 COc1ncc(nc1OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010132954 [0,0,0,0,0,0|4,0,0]=4 14 B30R4.10970550 COc1ncc(nc1OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100010132954_100000261305 [0,0,0,0,0,0|4,0,0]=4 15 B29R4.12360243 COc1ccc(cc1O)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000211920_100000261305 [1,0,0,0,0,0|1,0,0]=2 16 B29R4.12360243 COc1cnc(cc1O)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010264082 [1,0,0,0,0,0|3,0,0]=4 17 B29R4.12360243 COc1ncc(cc1O)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010135713 [1,0,0,0,0,0|3,0,0]=4 18 B29R4.12360243 Cc1cc(ccc1CO)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000102464_100000261305 [1,0,0,0,0,0|3,0,0]=4 19 B29R4.12360243 N#Cc1ccc(cc1O)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000094571_100000261305 [1,0,0,0,0,0|3,0,0]=4 20 B29R4.13828428 COc1cc(ccc1O)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000726020_100000261305 [1,0,0,0,0,0|1,0,0]=2 21 B29R4.13828428 COc1nc(ccc1O)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100010893133 [1,0,0,0,0,0|3,0,0]=4 22 B29R4.13828428 N#Cc1cc(ccc1O)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100011249283_100000261305 [1,0,0,0,0,0|3,0,0]=4 23 B31R4.16524960 COc1ccc(cc1C(=O)N)Nc2nc(nc3c2cccc3)c4ccccc4 27a_200011413973_100000261305 [0,1,0,0,0,0|3,0,0]=4 24 B31R4.16524960 COc1ccc(cc1[N+](=O)[O-])Nc2nc(nc3c2cccc3)c4ccccc4 27a_100000042093_100000261305 [0,1,0,0,0,0|3,0,0]=4 25 B31R4.18641305 COc1cc(ccc1[N+](=O)[O-])Nc2nc(nc3c2cccc3)c4ccccc4 27a_102125277084_100000261305 [0,1,0,0,0,0|3,0,0]=4 26 B31R4.74673858 COc1ccc(cc1CCN)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100000763266 [0,1,0,0,0,0|3,0,0]=4 27 B31R4.74673858 COc1ccc(cc1CCN)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000763266_100000261305 [0,1,0,0,0,0|3,0,0]=4 28 B31R5.14439017 c1ccc(cc1)c2nc(c3ccccc3n2)Nc4ccc5c(c4)OCCO5 27a_100020630400_100000261305 [0,0,0,1,0,0|1,0,0]=2 29 B29R4.1935269 COc1ccc(cc1OC)Nc2c(nc3n2cccn3)c4ccccc4 27a_100000187404_100010171953 [0,0,0,0,1,0|3,0,0]=4 30 B29R4.12328212 COc1cc(ccc1C#N)Nc2nc(nc3c2cccc3)c4cccs4 27a_100011999456_100000184998 [0,0,0,0,1,0|3,0,0]=4 31 B29R4.12328212 COc1cc(ccc1CO)Nc2nc(nc3c2cccc3)c4cccs4 27a_100012183141_100000184998 [0,0,0,0,1,0|3,0,0]=4 32 B29R4.12328212 COc1cc(cnc1OC)Sc2nc(nc3c2cccc3)c4cccs4 62a_100000184998_100010234541 [0,0,0,0,1,0|3,0,0]=4 33 B29R4.12328212 COc1ccc(cc1C#N)Nc2nc(nc3c2cccc3)c4cccs4 27a_100011204338_100000184998 [0,0,0,0,1,0|3,0,0]=4 34 B29R4.12328212 COc1ccc(nc1OC)Sc2nc(nc3c2cccc3)c4cccs4 62a_100000184998_100010214848 [0,0,0,0,1,0|3,0,0]=4 35 B29R4.123372236 COc1cc(cnc1OC)c2cc(nc3c2cccc3)c4ccccc4 271570a_100010246160_200016987766 [0,0,0,0,1,0|3,0,0]=4 36 B31R4.138932746 COc1ccc(cc1OC)CNc2nc(nc3c2cccc3)c4ccccc4 27a_100000185555_100000261305 [0,0,0,0,0,1|1,0,0]=2 37 B28R4.6465498 Oc1cc(ccc1F)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100012017398_100000261305 [2,0,0,0,0,0|2,0,0]=4 38 B28R4.6465498 Oc1ccc(cc1F)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100011220035_100000261305 [2,0,0,0,0,0|2,0,0]=4 39 B28R4.6465498 Oc1ccc(cc1O)Nc2nc(nc3c2cccc3)c4ccccc4 27a_100102946323_100000261305 [2,0,0,0,0,0|1,0,0]=3 40 B28R4.6465498 Oc1ccc(cc1O)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100009813601 [2,0,0,0,0,0|2,0,0]=4 41 B30R4.5605101 COc1cc(cc(c1O)O)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_200159242197 [1,1,0,0,0,0|2,0,0]=4 42 B32R4.1105058527 COc1ccc(cc1OC)CN(C)c2nc(nc3c2cccc3)c4ccccc4 27a_100000180827_100000261305 [0,1,0,0,0,1|1,0,0]=3 43 B32R4.400503290 CNC(=O)c1ccc(cc1OC)Nc2nc(nc3c2cccc3)c4ccccc4 27a_200011977860_100000261305 [0,2,0,0,0,0|2,0,0]=4 44 B32R4.20569217 COc1cc(ccc1OCCO)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100012347953 [0,2,0,0,0,0|2,0,0]=4 45 B32R4.20569217 COc1cc(ccc1OCCO)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100012347953_100000261305 [0,2,0,0,0,0|2,0,0]=4 46 B32R4.428340006 COc1cc(c(cc1OC)Nc2nc(nc3c2cccc3)c4ccccc4)C#N 27a_100011218292_100000261305 [0,2,0,0,0,0|1,0,0]=3 47 B32R4.428340006 COc1cc(c(cc1OC)Sc2nc(nc3c2cccc3)c4ccccc4)CO 62a_200000246283_100000261305 [0,2,0,0,0,0|2,0,0]=4 48 B30R5.21960021 c1ccc(cc1)c2nc(c3ccccc3n2)Nc4ccc5c(c4)CCO5 27a_100000736984_100000261305 [1,0,0,1,0,0|1,0,0]=3 49 B30R5.21960021 c1ccc(cc1)c2nc(c3ccccc3n2)Nc4ccc5c(c4)OCO5 27a_100000209953_100000261305 [1,0,0,1,0,0|1,0,0]=3 50 B30R5.21650727 c1csc(c1)c2nc(c3ccccc3n2)Nc4ccc5c(c4)OCCO5 27a_100020630400_100000184998 [0,0,0,1,1,0|1,0,0]=3 51 B32R5.58662821 c1ccc(cc1)c2nc(c3ccccc3n2)NCc4ccc5c(c4)OCCO5 27a_100000684186_100000261305 [0,0,0,1,0,1|1,0,0]=3 52 B32R5.33921102 CN1CCOc2c1cc(cc2)Nc3nc(nc4c3cccc4)c5ccccc5 27a_100000105042_100000261305 [0,1,0,1,0,0|2,0,0]=4 53 B28R3.2258698 COc1ccc(cc1OC)NN=C(C[n+]2ccccc2)c3ccccn3 4a_100000071703_100010001217 [0,0,1,0,1,0|2,0,0]=4 54 B28R3.2258698 COc1ccc(cc1OC)NN=C(Cc2ccccc2)c3ccccc3 4a_100000071703_100000183078 [0,0,1,0,1,0|2,0,0]=4 55 B28R3.18060741 COc1ccc(cc1OC)NC(=O)c2ccccc2Oc3ccccn3 527a_100000187404_100000759006 [0,0,1,0,1,0|2,0,0]=4 56 B28R4.9328533 COc1ccc(cc1O)Nc2nc(nc3c2cccc3)c4cccs4 27a_100000211920_100000184998 [1,0,0,0,1,0|1,0,0]=3 57 B28R4.10278147 COc1cc(ccc1O)Nc2nc(nc3c2cccc3)c4cccs4 27a_100000726020_100000184998 [1,0,0,0,1,0|1,0,0]=3 58 B30R4.10983824 COc1ccc(cc1O)CNc2nc(nc3c2cccc3)c4ccccc4 27a_100000740000_100000261305 [1,0,0,0,0,1|1,0,0]=3 59 B30R4.110963599 COc1ccc(cc1OC)NCc2nc(n3c2cccc3)c4ccccc4 207a_100000187404_200020602505 [0,0,0,0,1,1|2,0,0]=4 60 B30R4.110963599 COc1ccc(cc1OC)NCc2nc(n3c2cccc3)c4ccccc4 270302a_100000187404_200020602505 [0,0,0,0,1,1|2,0,0]=4 61 B30R4.89481990 COc1ccc(cc1OC)CNc2nc(nc3c2cccc3)c4cccs4 27a_100000185555_100000184998 [0,0,0,0,1,1|1,0,0]=3 62 B30R4.75403066 COc1ccc(c(n1)OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100000261305_100009816055 [0,0,0,0,1,1|2,0,0]=4 63 B30R4.75403066 COc1ccc(c(n1)OC)Sc2nc(nc3c2cccc3)c4ccccc4 62a_100009816055_100000261305 [0,0,0,0,1,1|2,0,0]=4 64 B32R4.120047700 COc1ccc(cc1OC)CCNc2nc(nc3c2cccc3)c4ccccc4 27a_100000210947_100000261305 [0,0,0,0,0,2|1,0,0]=3