0 B17R2.57002 Cc1ccc(cc1)C=Cc2c(n[nH]c2N)C 271570a_100102527916_100000182022 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.57002 Cc1ccc(cc1)CSc2c(n[nH]c2N)C 62a_100000182022_100000210814 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.57002 Cc1ccc(cc1)CSc2c(n[nH]c2N)C 62a_100000210814_100000182022 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.57002 Cc1n[nH]c(c1C=Cc2ccc(cc2)Br)N 271570a_100102527914_100000182022 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.57002 Cc1n[nH]c(c1C=Cc2ccc(cc2)Cl)N 271570a_100102527930_100000182022 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.57002 Cc1n[nH]c(c1C=Cc2ccc(cc2)F)N 271570a_100102525539_100000182022 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.57002 Cc1n[nH]c(c1CNc2ccc(cc2)O)C 270302a_100000185829_100000739816 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)Br)N 62a_100000182022_100000189115 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)Br)N 62a_100000189115_100000182022 [0,0,0,0,0,0|4,0,0]=4 9 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)Cl)N 62a_100000182022_100000187161 [0,0,0,0,0,0|4,0,0]=4 10 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)Cl)N 62a_100000187161_100000182022 [0,0,0,0,0,0|4,0,0]=4 11 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)F)N 62a_100000182022_100000187164 [0,0,0,0,0,0|4,0,0]=4 12 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)F)N 62a_100000198546_100000182022 [0,0,0,0,0,0|4,0,0]=4 13 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)I)N 62a_100000182022_100000189116 [0,0,0,0,0,0|4,0,0]=4 14 B17R2.57002 Cc1n[nH]c(c1SCc2ccc(cc2)I)N 62a_100000189116_100000182022 [0,0,0,0,0,0|4,0,0]=4 15 B16R2.1067 Cc1ccc(cc1)C=Cc2c[nH]nc2N 271570a_100102527916_100000717100 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.1067 Cc1ccc(cc1)CSc2c[nH]nc2N 62a_100000210814_100000717100 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.1067 Cc1ccc(cc1)CSc2c[nH]nc2N 62a_100000717100_100000210814 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.1067 Cc1n[nH]cc1CNc2ccc(cc2)O 270302a_100000185829_100000737037 [1,0,0,0,0,0|2,0,1]=4 19 B16R2.1067 Nc1n[nH]cc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000717100 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.1067 Nc1n[nH]cc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000717100 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.1067 Nc1n[nH]cc1C=Cc2ccc(cc2)F 271570a_100102525539_100000717100 [1,0,0,0,0,0|3,0,0]=4 22 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)Br 62a_100000189115_100000717100 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)Br 62a_100000717100_100000189115 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)Cl 62a_100000187161_100000717100 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)Cl 62a_100000717100_100000187161 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)F 62a_100000198546_100000717100 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)F 62a_100000717100_100000187164 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)I 62a_100000189116_100000717100 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.1067 Nc1n[nH]cc1SCc2ccc(cc2)I 62a_100000717100_100000189116 [1,0,0,0,0,0|3,0,0]=4 30 B16R2.2948 Cc1n[nH]c(c1C#Cc2ccccc2)N 271570a_100000069678_100000182022 [1,0,0,0,0,0|3,0,0]=4 31 B16R2.2948 Cc1n[nH]c(c1C=Cc2ccccc2)N 271570a_100102527694_100000182022 [1,0,0,0,0,0|3,0,0]=4 32 B16R2.2948 Cc1n[nH]c(c1SCc2ccccc2)N 62a_100000182022_100015291786 [1,0,0,0,0,0|3,0,0]=4 33 B16R2.2948 Cc1n[nH]c(c1SCc2ccccc2)N 62a_100000211182_100000182022 [1,0,0,0,0,0|3,0,0]=4 34 B18R2.35783 COc1ccc(cc1)C=Cc2c(n[nH]c2N)C 271570a_100000062342_100000182022 [0,1,0,0,0,0|3,0,0]=4 35 B18R2.35783 COc1ccc(cc1)CSc2c(n[nH]c2N)C 62a_100000182022_100000742318 [0,1,0,0,0,0|3,0,0]=4 36 B18R2.35783 Cc1n[nH]c(c1SCc2ccc(cc2)CO)N 62a_100000067286_100000182022 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.35783 Cc1n[nH]c(c1SCc2ccc(cc2)CO)N 62a_100000182022_100000067286 [0,1,0,0,0,0|3,0,0]=4 38 B16R2.11573 Cc1ccc(cc1)Sc2c(n[nH]c2N)C 62a_100000182022_100000186775 [0,0,0,0,1,0|3,0,0]=4 39 B16R2.11573 Cc1ccc(cc1)Sc2c(n[nH]c2N)C 62a_100000186775_100000182022 [0,0,0,0,1,0|3,0,0]=4 40 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)Br)N 62a_100000182022_100000752885 [0,0,0,0,1,0|3,0,0]=4 41 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)Br)N 62a_100000752885_100000182022 [0,0,0,0,1,0|3,0,0]=4 42 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)Cl)N 62a_100000182022_100000755918 [0,0,0,0,1,0|3,0,0]=4 43 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)Cl)N 62a_100000755918_100000182022 [0,0,0,0,1,0|3,0,0]=4 44 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)F)N 62a_100000182022_100000211213 [0,0,0,0,1,0|3,0,0]=4 45 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)F)N 62a_100000211213_100000182022 [0,0,0,0,1,0|3,0,0]=4 46 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)N)N 62a_100000182022_100000185761 [0,0,0,0,1,0|3,0,0]=4 47 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)N)N 62a_100000185761_100000182022 [0,0,0,0,1,0|3,0,0]=4 48 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)O)C 62a_100000238710_100000185759 [0,0,0,0,1,0|3,0,0]=4 49 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cc2)O)N 62a_100000182022_100000185759 [0,0,0,0,1,0|2,0,0]=3 50 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cn2)O)N 62a_100000182022_100000744096 [0,0,0,0,1,0|3,0,0]=4 51 B16R2.11573 Cc1n[nH]c(c1Sc2ccc(cn2)O)N 62a_100000685995_100000182022 [0,0,0,0,1,0|3,0,0]=4 52 B16R2.11573 Cc1noc(c1Sc2ccc(cc2)O)N 62a_100000754107_100000185759 [0,0,0,0,1,0|3,0,0]=4 53 B16R2.11573 Cc1nsc(c1Sc2ccc(cc2)O)N 62a_100000701153_100000185759 [0,0,0,0,1,0|3,0,0]=4 54 B16R2.11573 Cc1onc(c1Sc2ccc(cc2)O)N 62a_100011216220_100000185759 [0,0,0,0,1,0|3,0,0]=4 55 B18R2.94350 Cc1n[nH]c(c1SCCc2ccc(cc2)O)N 62a_100000182022_100009816426 [0,0,0,0,0,1|3,0,0]=4 56 B18R2.94350 Cc1n[nH]c(c1SCCc2ccc(cc2)O)N 62a_100009816426_100000182022 [0,0,0,0,0,1|3,0,0]=4 57 B15R2.55 Nc1n[nH]cc1C#Cc2ccccc2 271570a_100000069678_100000717100 [2,0,0,0,0,0|2,0,0]=4 58 B15R2.55 Nc1n[nH]cc1C=Cc2ccccc2 271570a_100102527694_100000717100 [2,0,0,0,0,0|2,0,0]=4 59 B15R2.55 Nc1n[nH]cc1SCc2ccccc2 62a_100000211182_100000717100 [2,0,0,0,0,0|2,0,0]=4 60 B15R2.55 Nc1n[nH]cc1SCc2ccccc2 62a_100000717100_100015291786 [2,0,0,0,0,0|2,0,0]=4 61 B15R2.100 Oc1ccc(cc1)NCc2cn[nH]c2 270302a_100000185829_100016992096 [2,0,0,0,0,0|1,0,1]=4 62 B17R2.54 COc1ccc(cc1)C=Cc2c[nH]nc2N 271570a_100000062342_100000717100 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.54 COc1ccc(cc1)CSc2c[nH]nc2N 62a_100000717100_100000742318 [1,1,0,0,0,0|2,0,0]=4 64 B17R2.54 Nc1n[nH]cc1SCc2ccc(cc2)CO 62a_100000067286_100000717100 [1,1,0,0,0,0|2,0,0]=4 65 B17R2.54 Nc1n[nH]cc1SCc2ccc(cc2)CO 62a_100000717100_100000067286 [1,1,0,0,0,0|2,0,0]=4 66 B17R2.3723 COc1ccc(cc1)Sc2c(n[nH]c2N)C 62a_100000182022_100000171711 [0,1,0,0,1,0|2,0,0]=4 67 B17R2.3723 Cc1n[nH]c(c1Sc2ccc(cc2)CO)N 62a_100000182022_100000690907 [0,1,0,0,1,0|2,0,0]=4 68 B17R2.3723 Cc1n[nH]c(c1Sc2ccc(cc2)CO)N 62a_100000690907_100000182022 [0,1,0,0,1,0|2,0,0]=4 69 B17R2.18928 Cc1nn(c(c1Sc2ccc(cc2)O)N)C 62a_100011540719_100000185759 [0,1,0,0,1,0|2,0,0]=4 70 B17R2.56715 Cc1cc(ccc1O)Sc2c(n[nH]c2N)C 62a_100000182022_100000186361 [0,1,0,0,1,0|2,0,0]=4 71 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)Br)O)N 62a_100000182022_100012361655 [0,1,0,0,1,0|2,0,0]=4 72 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)Br)O)N 62a_100012361655_100000182022 [0,1,0,0,1,0|2,0,0]=4 73 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)Cl)O)N 62a_100000182022_100012360047 [0,1,0,0,1,0|2,0,0]=4 74 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)Cl)O)N 62a_100012360047_100000182022 [0,1,0,0,1,0|2,0,0]=4 75 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)F)O)N 62a_100000182022_100000185481 [0,1,0,0,1,0|2,0,0]=4 76 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)F)O)N 62a_100000185481_100000182022 [0,1,0,0,1,0|2,0,0]=4 77 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)N)O)N 62a_100000182022_100000752626 [0,1,0,0,1,0|2,0,0]=4 78 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)N)O)N 62a_100000752626_100000182022 [0,1,0,0,1,0|2,0,0]=4 79 B17R2.56715 Cc1n[nH]c(c1Sc2ccc(c(c2)O)O)N 62a_100000182022_100009813601 [0,1,0,0,1,0|2,0,0]=4 80 B17R2.276891 Cc1cc(ccc1Sc2c(n[nH]c2N)C)O 62a_100000182022_100000690111 [0,1,0,0,1,0|2,0,0]=4 81 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2Br)O)N 62a_100000182022_100000701344 [0,1,0,0,1,0|2,0,0]=4 82 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2Br)O)N 62a_100000701344_100000182022 [0,1,0,0,1,0|2,0,0]=4 83 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2Cl)O)N 62a_100000047559_100000182022 [0,1,0,0,1,0|2,0,0]=4 84 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2Cl)O)N 62a_100000182022_100000047559 [0,1,0,0,1,0|2,0,0]=4 85 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2F)O)N 62a_100000182022_100000755031 [0,1,0,0,1,0|2,0,0]=4 86 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2F)O)N 62a_100000755031_100000182022 [0,1,0,0,1,0|2,0,0]=4 87 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2N)O)N 62a_100000182022_100011999798 [0,1,0,0,1,0|2,0,0]=4 88 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2N)O)N 62a_100011999798_100000182022 [0,1,0,0,1,0|2,0,0]=4 89 B17R2.276891 Cc1n[nH]c(c1Sc2ccc(cc2O)O)N 62a_100000182022_100009813921 [0,1,0,0,1,0|2,0,0]=4 90 B19R3.52513 Nc1n[nH]c2c1ncc(c2)c3ccc(cc3)O 271570a_100015205159_100010187618 [0,0,0,1,0,1|2,0,0]=4 91 B15R2.1510 Cc1ccc(cc1)Sc2c[nH]nc2N 62a_100000186775_100000717100 [1,0,0,0,1,0|2,0,0]=4 92 B15R2.1510 Cc1ccc(cc1)Sc2c[nH]nc2N 62a_100000717100_100000186775 [1,0,0,0,1,0|2,0,0]=4 93 B15R2.1510 Cc1n[nH]cc1Sc2ccc(cc2)O 62a_100000692133_100000185759 [1,0,0,0,1,0|2,0,0]=4 94 B15R2.1510 Nc1ccc(cc1)Sc2c[nH]nc2N 62a_100000185761_100000717100 [1,0,0,0,1,0|2,0,0]=4 95 B15R2.1510 Nc1ccc(cc1)Sc2c[nH]nc2N 62a_100000717100_100000185761 [1,0,0,0,1,0|2,0,0]=4 96 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)Br 62a_100000717100_100000752885 [1,0,0,0,1,0|2,0,0]=4 97 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)Br 62a_100000752885_100000717100 [1,0,0,0,1,0|2,0,0]=4 98 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)Cl 62a_100000717100_100000755918 [1,0,0,0,1,0|2,0,0]=4 99 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)Cl 62a_100000755918_100000717100 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)F 62a_100000211213_100000717100 [1,0,0,0,1,0|2,0,0]=4 101 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)F 62a_100000717100_100000211213 [1,0,0,0,1,0|2,0,0]=4 102 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cc2)O 62a_100000717100_100000185759 [1,0,0,0,1,0|1,0,0]=3 103 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cn2)O 62a_100000685995_100000717100 [1,0,0,0,1,0|2,0,0]=4 104 B15R2.1510 Nc1n[nH]cc1Sc2ccc(cn2)O 62a_100000717100_100000744096 [1,0,0,0,1,0|2,0,0]=4 105 B15R2.1510 Nc1nocc1Sc2ccc(cc2)O 62a_100012597345_100000185759 [1,0,0,0,1,0|2,0,0]=4 106 B15R2.1510 Oc1ccc(cc1)Sc2c[nH]nc2Br 62a_100011012988_100000185759 [1,0,0,0,1,0|2,0,0]=4 107 B15R2.1510 Oc1ccc(cc1)Sc2c[nH]nc2F 62a_100015597042_100000185759 [1,0,0,0,1,0|2,0,0]=4 108 B15R2.355 Cc1n[nH]c(c1Sc2ccccc2)N 62a_100000182022_100000041952 [1,0,0,0,1,0|2,0,0]=4 109 B15R2.355 Cc1n[nH]c(c1Sc2ccccc2)N 62a_100000719477_100000182022 [1,0,0,0,1,0|2,0,0]=4 110 B15R2.18925 Cc1ccc(cc1)c2c(n[nH]c2N)C 271570a_100000708704_100000182022 [0,0,0,0,2,0|2,0,0]=4 111 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)Br)N 271570a_100010235827_100000182022 [0,0,0,0,2,0|2,0,0]=4 112 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)Cl)N 271570a_100011213355_100000182022 [0,0,0,0,2,0|2,0,0]=4 113 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)F)N 271570a_100011934326_100000182022 [0,0,0,0,2,0|2,0,0]=4 114 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)I)N 271570a_100000033156_100000182022 [0,0,0,0,2,0|2,0,0]=4 115 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)N)N 271570a_100015188457_100000182022 [0,0,0,0,2,0|2,0,0]=4 116 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)O)C 271570a_100000067762_100000185759 [0,0,0,0,2,0|2,0,0]=4 117 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)O)C 271570a_100015205159_100000238710 [0,0,0,0,2,0|2,0,0]=4 118 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)O)N 271570a_100015205159_100000182022 [0,0,0,0,2,0|1,0,0]=3 119 B15R2.18925 Cc1n[nH]c(c1c2ccc(cc2)O)N 271570a_203496583355_100011202745 [0,0,0,0,2,0|1,0,0]=3 120 B15R2.18925 Cc1n[nH]c(c1c2ccc(nc2)O)N 271570a_100000062254_100000182022 [0,0,0,0,2,0|2,0,0]=4 121 B15R2.18925 Cc1noc(c1c2ccc(cc2)O)N 271570a_100015205159_100000754107 [0,0,0,0,2,0|2,0,0]=4 122 B15R2.18925 Cc1nsc(c1c2ccc(cc2)O)N 271570a_100015205159_100000701153 [0,0,0,0,2,0|2,0,0]=4 123 B15R2.18925 Cc1onc(c1c2ccc(cc2)O)N 271570a_100015205159_100011216220 [0,0,0,0,2,0|2,0,0]=4 124 B17R2.3278 Nc1n[nH]cc1SCCc2ccc(cc2)O 62a_100000717100_100009816426 [1,0,0,0,0,1|2,0,0]=4 125 B17R2.3278 Nc1n[nH]cc1SCCc2ccc(cc2)O 62a_100009816426_100000717100 [1,0,0,0,0,1|2,0,0]=4 126 B17R2.18929 Nc1nc[nH]c(=O)c1Sc2ccc(cc2)O 62a_200011345422_100000185759 [0,0,0,0,1,1|2,0,0]=4 127 B17R2.18929 Nc1ncnc(c1Sc2ccc(cc2)O)N 62a_100010128106_100000185759 [0,0,0,0,1,1|1,0,1]=4